*HEADER    STRUCTURAL PROTEIN                      30-AUG-05   2AVG              
*TITLE     NMR STRUCTURE OF CC1 DOMAIN FROM HUMAN CARDIAC MYOSIN                 
*TITLE    2 BINDING PROTEIN C                                                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: MYOSIN-BINDING PROTEIN C, CARDIAC-TYPE;                    
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: CC1 DOMAIN;                                                
*COMPND   5 SYNONYM: CARDIAC MYBP-C, C-PROTEIN, CARDIAC MUSCLE ISOFORM;          
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21*;                                     
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PET-8A                                    
*KEYWDS    HUMAN CARDIAC MYBP-C                                                  
*EXPDTA    NMR, 29 STRUCTURES                                                    
*AUTHOR    A.ABABOU, M.GAUTEL, M.PFUHL                                           
*REVDAT   1   05-SEP-06 2AVG    0                                                

 ASSI {    7}
   (( segid " 1SG" and resid 12   and name HE22))
   (( segid " 1SG" and resid 12   and name HE21))
      1.400     0.200     0.800 peak     7 spectrum    1 weight  0.10000E+01 volume  0.74754E-01 ppm1      6.922 ppm2      7.453 CV     1
 ASSI {   15}
   (( segid " 1SG" and resid 103  and name HD21))
   (( segid " 1SG" and resid 103  and name HD22))
      1.600     0.300     0.600 peak    15 spectrum    1 weight  0.10000E+01 volume  0.36627E-01 ppm1      7.722 ppm2      6.746 CV     1
 ASSI {   22}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 58   and name HE22))
      1.600     0.300     0.600 peak    22 spectrum    1 weight  0.10000E+01 volume  0.28861E-01 ppm1      7.438 ppm2      6.684 CV     1
 ASSI {   38}
   (( segid " 1SG" and resid 80   and name HE21))
   (( segid " 1SG" and resid 80   and name HE22))
      1.700     0.400     0.500 peak    38 spectrum    1 weight  0.10000E+01 volume  0.21642E-01 ppm1      6.985 ppm2      6.648 CV     1
 ASSI {   41}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 107  and name HA  ))
      2.000     0.500     0.500 peak    41 spectrum    1 weight  0.10000E+01 volume  0.20847E-01 ppm1      8.564 ppm2      4.843 CV     1
 ASSI {   51}
   (( segid " 1SG" and resid 66   and name HN  ))
   (  segid " 1SG" and resid 66   and name HB% )
      2.200     0.600     0.600 peak    51 spectrum    1 weight  0.10000E+01 volume  0.18641E-01 ppm1      8.106 ppm2      1.408 CV     1
 ASSI {   59}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 46   and name HD1 ))
      2.200     0.600     0.600 peak    59 spectrum    1 weight  0.10000E+01 volume  0.16305E-01 ppm1     10.116 ppm2      7.133 CV     1
 ASSI {   60}
   (( segid " 1SG" and resid 61   and name HN  ))
   (( segid " 1SG" and resid 60   and name HA  ))
      2.200     0.600     0.600 peak    60 spectrum    1 weight  0.10000E+01 volume  0.16015E-01 ppm1      8.180 ppm2      5.068 CV     1
 ASSI {   62}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 38   and name HA  ))
      2.000     0.500     0.500 peak    62 spectrum    1 weight  0.10000E+01 volume  0.15810E-01 ppm1      7.892 ppm2      3.893 CV     1
 ASSI {   64}
   (( segid " 1SG" and resid 17   and name HN  ))
   (( segid " 1SG" and resid 16   and name HA  ))
      2.200     0.600     0.600 peak    64 spectrum    1 weight  0.10000E+01 volume  0.15455E-01 ppm1      7.900 ppm2      4.580 CV     1
 ASSI {   67}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (( segid " 1SG" and resid 41   and name HD1 ))
      2.100     0.500     0.500 peak    67 spectrum    1 weight  0.10000E+01 volume  0.14855E-01 ppm1     10.780 ppm2      7.129 CV     1
 ASSI {   72}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 12   and name HA  ))
      2.200     0.600     0.600 peak    72 spectrum    1 weight  0.10000E+01 volume  0.13575E-01 ppm1      8.312 ppm2      4.679 CV     1
 ASSI {   80}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 95   and name HA  ))
      2.100     2.100     3.900 peak    80 spectrum    1 weight  0.10000E+01 volume  0.12762E-01 ppm1      7.969 ppm2      4.735 CV     1
 ASSI {   81}
   (( segid " 1SG" and resid 53   and name HN  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      1.900     0.400     0.400 peak    81 spectrum    1 weight  0.10000E+01 volume  0.12565E-01 ppm1      6.764 ppm2      1.067 CV     1
 ASSI {   84}
   (( segid " 1SG" and resid 21   and name HN  ))
   (( segid " 1SG" and resid 20   and name HA1 ))
      2.000     0.500     0.500 peak    84 spectrum    1 weight  0.10000E+01 volume  0.11783E-01 ppm1      8.170 ppm2      3.727 CV     1
 ASSI {   85}
   (( segid " 1SG" and resid 79   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      2.200     0.600     0.600 peak    85 spectrum    1 weight  0.10000E+01 volume  0.11735E-01 ppm1      8.974 ppm2      1.174 CV     1
 ASSI {   95}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 53   and name HA  ))
      2.100     0.600     0.600 peak    95 spectrum    1 weight  0.10000E+01 volume  0.10725E-01 ppm1      9.019 ppm2      4.049 CV     1
 ASSI {  102}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 93   and name HA  ))
      2.800     2.800     3.200 peak   102 spectrum    1 weight  0.10000E+01 volume  0.10479E-01 ppm1      7.511 ppm2      4.762 CV     1
 ASSI {  111}
   (( segid " 1SG" and resid 93   and name HN  ))
   (( segid " 1SG" and resid 92   and name HA  ))
      2.300     0.600     0.600 peak   111 spectrum    1 weight  0.10000E+01 volume  0.99179E-02 ppm1      8.557 ppm2      5.243 CV     1
 ASSI {  112}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 58   and name HA  ))
      2.100     0.500     0.500 peak   112 spectrum    1 weight  0.10000E+01 volume  0.98552E-02 ppm1      8.381 ppm2      4.632 CV     1
 ASSI {  114}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 64   and name HA  ))
      2.200     0.600     0.600 peak   114 spectrum    1 weight  0.10000E+01 volume  0.96006E-02 ppm1      8.306 ppm2      4.576 CV     1
 ASSI {  116}
   (( segid " 1SG" and resid 48   and name HN  ))
   (( segid " 1SG" and resid 47   and name HA  ))
      2.200     0.600     0.600 peak   116 spectrum    1 weight  0.10000E+01 volume  0.94427E-02 ppm1      8.397 ppm2      4.057 CV     1
 ASSI {  117}
   (( segid " 1SG" and resid 21   and name HN  ))
   (( segid " 1SG" and resid 20   and name HA2 ))
      3.100     1.200     1.200 peak   117 spectrum    1 weight  0.10000E+01 volume  0.94411E-02 ppm1      8.169 ppm2      4.378 CV     1
 ASSI {  120}
   (( segid " 1SG" and resid 23   and name HN  ))
   (( segid " 1SG" and resid 22   and name HA  ))
      2.100     0.600     0.600 peak   120 spectrum    1 weight  0.10000E+01 volume  0.93660E-02 ppm1      7.914 ppm2      4.342 CV     1
 ASSI {  122}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 59   and name HA  ))
      2.200     0.600     0.600 peak   122 spectrum    1 weight  0.10000E+01 volume  0.93138E-02 ppm1      8.687 ppm2      5.184 CV     1
 ASSI {  123}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 21   and name HA  ))
      2.200     0.600     0.600 peak   123 spectrum    1 weight  0.10000E+01 volume  0.92441E-02 ppm1      8.888 ppm2      5.491 CV     1
 ASSI {  125}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 57   and name HA  ))
      2.000     0.500     0.500 peak   125 spectrum    1 weight  0.10000E+01 volume  0.91853E-02 ppm1      8.940 ppm2      5.399 CV     1
 ASSI {  126}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 61   and name HA  ))
      2.000     0.500     0.500 peak   126 spectrum    1 weight  0.10000E+01 volume  0.91613E-02 ppm1      8.849 ppm2      5.560 CV     1
 ASSI {  128}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 53   and name HB  ))
      2.300     0.700     0.700 peak   128 spectrum    1 weight  0.10000E+01 volume  0.90727E-02 ppm1      6.764 ppm2      2.128 CV     1
 ASSI {  130}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 4    and name HB  ))
      2.000     0.500     0.500 peak   130 spectrum    1 weight  0.10000E+01 volume  0.89565E-02 ppm1      8.264 ppm2      2.024 CV     1
 ASSI {  133}
   (( segid " 1SG" and resid 77   and name HN  ))
   (( segid " 1SG" and resid 76   and name HA  ))
      2.100     0.600     0.600 peak   133 spectrum    1 weight  0.10000E+01 volume  0.87890E-02 ppm1      8.717 ppm2      4.983 CV     1
 ASSI {  135}
   (( segid " 1SG" and resid 85   and name HN  ))
   (( segid " 1SG" and resid 84   and name HA  ))
      2.200     0.600     0.600 peak   135 spectrum    1 weight  0.10000E+01 volume  0.87321E-02 ppm1      9.407 ppm2      4.227 CV     1
 OR {  135}
   (( segid " 1SG" and resid 85   and name HN  ))
   (( segid " 1SG" and resid 84   and name HB  ))
 ASSI {  137}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 66   and name HA  ))
      2.500     0.800     0.800 peak   137 spectrum    1 weight  0.10000E+01 volume  0.87100E-02 ppm1      8.106 ppm2      4.123 CV     1
 ASSI {  140}
   (( segid " 1SG" and resid 29   and name HN  ))
   (  segid " 1SG" and resid 29   and name HB% )
      2.300     0.600     0.600 peak   140 spectrum    1 weight  0.10000E+01 volume  0.84488E-02 ppm1      8.854 ppm2      1.508 CV     1
 ASSI {  142}
   (( segid " 1SG" and resid 47   and name HN  ))
   (  segid " 1SG" and resid 47   and name HG1%)
      2.900     1.000     1.000 peak   142 spectrum    1 weight  0.10000E+01 volume  0.84151E-02 ppm1      7.291 ppm2      0.977 CV     1
 ASSI {  145}
   (( segid " 1SG" and resid 18   and name HN  ))
   (  segid " 1SG" and resid 18   and name HG2%)
      2.100     0.500     0.500 peak   145 spectrum    1 weight  0.10000E+01 volume  0.83400E-02 ppm1      8.005 ppm2      0.939 CV     1
 ASSI {  147}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 96   and name HA  ))
      2.200     0.600     0.600 peak   147 spectrum    1 weight  0.10000E+01 volume  0.82959E-02 ppm1      8.065 ppm2      4.772 CV     1
 ASSI {  148}
   (( segid " 1SG" and resid 12   and name HE21))
   (( segid " 1SG" and resid 12   and name HG1 ))
      2.400     0.700     0.700 peak   148 spectrum    1 weight  0.10000E+01 volume  0.82649E-02 ppm1      7.451 ppm2      2.471 CV     1
 OR {  148}
   (( segid " 1SG" and resid 12   and name HE21))
   (( segid " 1SG" and resid 12   and name HG2 ))
 ASSI {  150}
   (( segid " 1SG" and resid 101  and name HD22))
   (( segid " 1SG" and resid 12   and name HE21))
      1.900     1.900     4.100 peak   150 spectrum    1 weight  0.10000E+01 volume  0.82154E-02 ppm1      6.723 ppm2      7.459 CV     1
 ASSI {  155}
   (( segid " 1SG" and resid 19   and name HN  ))
   (( segid " 1SG" and resid 18   and name HA  ))
      2.100     0.500     0.500 peak   155 spectrum    1 weight  0.10000E+01 volume  0.80083E-02 ppm1      9.827 ppm2      3.479 CV     1
 ASSI {  156}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 14   and name HA2 ))
      2.200     0.600     0.600 peak   156 spectrum    1 weight  0.10000E+01 volume  0.79607E-02 ppm1      8.504 ppm2      4.931 CV     1
 ASSI {  159}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 78   and name HA  ))
      2.300     0.700     0.700 peak   159 spectrum    1 weight  0.10000E+01 volume  0.78369E-02 ppm1      8.974 ppm2      4.103 CV     1
 ASSI {  160}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 39   and name HA  ))
      2.000     0.500     0.500 peak   160 spectrum    1 weight  0.10000E+01 volume  0.76511E-02 ppm1      8.694 ppm2      4.799 CV     1
 ASSI {  161}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 37   and name HA  ))
      2.100     0.600     0.600 peak   161 spectrum    1 weight  0.10000E+01 volume  0.75992E-02 ppm1      8.374 ppm2      4.490 CV     1
 ASSI {  164}
   (( segid " 1SG" and resid 29   and name HN  ))
   (( segid " 1SG" and resid 28   and name HA  ))
      2.100     0.500     0.500 peak   164 spectrum    1 weight  0.10000E+01 volume  0.75226E-02 ppm1      8.854 ppm2      4.898 CV     1
 ASSI {  166}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 1    and name HA  ))
      2.000     0.500     0.500 peak   166 spectrum    1 weight  0.10000E+01 volume  0.74061E-02 ppm1      8.116 ppm2      4.614 CV     1
 ASSI {  167}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 24   and name HA  ))
      2.300     0.600     0.600 peak   167 spectrum    1 weight  0.10000E+01 volume  0.73485E-02 ppm1      8.399 ppm2      4.620 CV     1
 ASSI {  169}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 40   and name HA  ))
      2.200     0.600     0.600 peak   169 spectrum    1 weight  0.10000E+01 volume  0.73233E-02 ppm1      9.308 ppm2      4.547 CV     1
 ASSI {  170}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 107  and name HB2 ))
      3.100     1.200     1.200 peak   170 spectrum    1 weight  0.10000E+01 volume  0.72738E-02 ppm1      8.564 ppm2      3.074 CV     1
 OR {  170}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 107  and name HB1 ))
 ASSI {  175}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 23   and name HA  ))
      2.300     0.700     0.700 peak   175 spectrum    1 weight  0.10000E+01 volume  0.71298E-02 ppm1      9.240 ppm2      5.100 CV     1
 ASSI {  176}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 91   and name HA  ))
      2.200     0.600     0.600 peak   176 spectrum    1 weight  0.10000E+01 volume  0.70787E-02 ppm1      8.734 ppm2      4.747 CV     1
 ASSI {  177}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 78   and name HA  ))
      2.300     0.600     0.600 peak   177 spectrum    1 weight  0.10000E+01 volume  0.69572E-02 ppm1      8.053 ppm2      4.102 CV     1
 ASSI {  179}
   (( segid " 1SG" and resid 67   and name HN  ))
   (  segid " 1SG" and resid 66   and name HB% )
      2.600     0.800     0.800 peak   179 spectrum    1 weight  0.10000E+01 volume  0.69471E-02 ppm1      7.421 ppm2      1.408 CV     1
 ASSI {  180}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 3    and name HA  ))
      2.300     0.700     0.700 peak   180 spectrum    1 weight  0.10000E+01 volume  0.68829E-02 ppm1      8.264 ppm2      4.443 CV     1
 ASSI {  181}
   (( segid " 1SG" and resid 101  and name HD21))
   (( segid " 1SG" and resid 101  and name HD22))
      2.100     0.500     0.500 peak   181 spectrum    1 weight  0.10000E+01 volume  0.68635E-02 ppm1      7.438 ppm2      6.719 CV     1
 ASSI {  184}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 108  and name HA  ))
      2.500     0.800     0.800 peak   184 spectrum    1 weight  0.10000E+01 volume  0.67188E-02 ppm1      8.564 ppm2      4.141 CV     1
 ASSI {  186}
   (( segid " 1SG" and resid 30   and name HN  ))
   (( segid " 1SG" and resid 29   and name HA  ))
      2.300     0.600     0.600 peak   186 spectrum    1 weight  0.10000E+01 volume  0.66580E-02 ppm1      8.591 ppm2      4.384 CV     1
 ASSI {  189}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 77   and name HA  ))
      2.300     0.700     0.700 peak   189 spectrum    1 weight  0.10000E+01 volume  0.65237E-02 ppm1      8.053 ppm2      4.655 CV     1
 ASSI {  191}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 20   and name HA1 ))
      2.300     0.700     0.700 peak   191 spectrum    1 weight  0.10000E+01 volume  0.64215E-02 ppm1      8.825 ppm2      3.727 CV     1
 ASSI {  192}
   (( segid " 1SG" and resid 68   and name HN  ))
   (( segid " 1SG" and resid 68   and name HA  ))
      2.300     0.600     0.600 peak   192 spectrum    1 weight  0.10000E+01 volume  0.63894E-02 ppm1      7.877 ppm2      3.593 CV     1
 ASSI {  193}
   (( segid " 1SG" and resid 17   and name HN  ))
   (( segid " 1SG" and resid 17   and name HB  ))
      2.600     0.800     0.800 peak   193 spectrum    1 weight  0.10000E+01 volume  0.63724E-02 ppm1      7.899 ppm2      4.062 CV     1
 ASSI {  194}
   (( segid " 1SG" and resid 69   and name HN  ))
   (  segid " 1SG" and resid 69   and name HG2%)
      2.600     0.900     0.900 peak   194 spectrum    1 weight  0.10000E+01 volume  0.63631E-02 ppm1      6.899 ppm2      0.850 CV     1
 OR {  194}
   (( segid " 1SG" and resid 69   and name HN  ))
   (  segid " 1SG" and resid 69   and name HG1%)
 ASSI {  197}
   (( segid " 1SG" and resid 39   and name HN  ))
   (  segid " 1SG" and resid 38   and name HG2%)
      3.500     1.600     1.600 peak   197 spectrum    1 weight  0.10000E+01 volume  0.62969E-02 ppm1      7.892 ppm2      0.789 CV     1
 ASSI {  198}
   (( segid " 1SG" and resid 63   and name HN  ))
   (( segid " 1SG" and resid 62   and name HA  ))
      2.500     0.800     0.800 peak   198 spectrum    1 weight  0.10000E+01 volume  0.62466E-02 ppm1      8.517 ppm2      4.602 CV     1
 ASSI {  199}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 13   and name HA  ))
      2.900     1.000     1.000 peak   199 spectrum    1 weight  0.10000E+01 volume  0.62249E-02 ppm1      9.183 ppm2      5.338 CV     1
 ASSI {  200}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 72   and name HA  ))
      2.200     0.600     0.600 peak   200 spectrum    1 weight  0.10000E+01 volume  0.61947E-02 ppm1      9.450 ppm2      5.366 CV     1
 ASSI {  201}
   (( segid " 1SG" and resid 12   and name HN  ))
   (( segid " 1SG" and resid 11   and name HA  ))
      2.400     0.800     0.800 peak   201 spectrum    1 weight  0.10000E+01 volume  0.61893E-02 ppm1      8.345 ppm2      4.804 CV     1
 ASSI {  202}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 46   and name HZ2 ))
      2.700     0.900     0.900 peak   202 spectrum    1 weight  0.10000E+01 volume  0.61843E-02 ppm1     10.116 ppm2      7.380 CV     1
 ASSI {  203}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 52   and name HN  ))
      2.200     0.600     0.600 peak   203 spectrum    1 weight  0.10000E+01 volume  0.61549E-02 ppm1      6.764 ppm2      7.787 CV     1
 ASSI {  204}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 20   and name HA2 ))
      2.900     1.000     1.000 peak   204 spectrum    1 weight  0.10000E+01 volume  0.61305E-02 ppm1      8.825 ppm2      4.373 CV     1
 ASSI {  206}
   (( segid " 1SG" and resid 26   and name HN  ))
   (( segid " 1SG" and resid 25   and name HA  ))
      2.300     0.600     0.600 peak   206 spectrum    1 weight  0.10000E+01 volume  0.60144E-02 ppm1      9.497 ppm2      5.685 CV     1
 ASSI {  208}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 105  and name HA  ))
      2.300     0.700     0.700 peak   208 spectrum    1 weight  0.10000E+01 volume  0.59904E-02 ppm1      8.151 ppm2      4.533 CV     1
 ASSI {  211}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 14   and name HA1 ))
      3.200     1.300     1.300 peak   211 spectrum    1 weight  0.10000E+01 volume  0.59552E-02 ppm1      8.504 ppm2      3.743 CV     1
 ASSI {  212}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HB1 ))
      2.400     0.700     0.700 peak   212 spectrum    1 weight  0.10000E+01 volume  0.59497E-02 ppm1      8.305 ppm2      1.753 CV     1
 OR {  212}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HB2 ))
 ASSI {  216}
   (( segid " 1SG" and resid 12   and name HE22))
   (( segid " 1SG" and resid 12   and name HG1 ))
      3.300     1.300     1.300 peak   216 spectrum    1 weight  0.10000E+01 volume  0.58987E-02 ppm1      6.922 ppm2      2.472 CV     1
 OR {  216}
   (( segid " 1SG" and resid 12   and name HE22))
   (( segid " 1SG" and resid 12   and name HG2 ))
 ASSI {  217}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 76   and name HG12))
      3.400     3.400     2.600 peak   217 spectrum    1 weight  0.10000E+01 volume  0.58774E-02 ppm1      9.019 ppm2      1.097 CV     1
 ASSI {  219}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 67   and name HN  ))
      2.400     0.700     0.700 peak   219 spectrum    1 weight  0.10000E+01 volume  0.58507E-02 ppm1      8.106 ppm2      7.421 CV     1
 ASSI {  220}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 2    and name HB2 ))
      2.100     0.600     0.600 peak   220 spectrum    1 weight  0.10000E+01 volume  0.57853E-02 ppm1      8.116 ppm2      2.658 CV     1
 ASSI {  221}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 39   and name HB  ))
      2.600     0.800     0.800 peak   221 spectrum    1 weight  0.10000E+01 volume  0.56908E-02 ppm1      7.890 ppm2      0.582 CV     1
 ASSI {  222}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 35   and name HA  ))
      2.500     0.800     0.800 peak   222 spectrum    1 weight  0.10000E+01 volume  0.56479E-02 ppm1      7.511 ppm2      4.664 CV     1
 ASSI {  223}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 74   and name HA  ))
      2.300     0.600     0.600 peak   223 spectrum    1 weight  0.10000E+01 volume  0.56394E-02 ppm1      9.151 ppm2      4.330 CV     1
 ASSI {  228}
   (( segid " 1SG" and resid 15   and name HN  ))
   (  segid " 1SG" and resid 22   and name HD1%)
      3.500     1.500     1.500 peak   228 spectrum    1 weight  0.10000E+01 volume  0.54814E-02 ppm1      8.505 ppm2      0.527 CV     1
 ASSI {  229}
   (( segid " 1SG" and resid 85   and name HN  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      3.100     1.200     1.200 peak   229 spectrum    1 weight  0.10000E+01 volume  0.54648E-02 ppm1      9.407 ppm2      1.494 CV     1
 ASSI {  231}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 68   and name HN  ))
      2.200     0.600     0.600 peak   231 spectrum    1 weight  0.10000E+01 volume  0.54048E-02 ppm1      7.422 ppm2      7.877 CV     1
 ASSI {  235}
   (( segid " 1SG" and resid 18   and name HN  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      2.600     0.800     0.800 peak   235 spectrum    1 weight  0.10000E+01 volume  0.53232E-02 ppm1      8.004 ppm2      1.281 CV     1
 ASSI {  236}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 108  and name HG2 ))
      3.500     1.600     1.600 peak   236 spectrum    1 weight  0.10000E+01 volume  0.53135E-02 ppm1      8.564 ppm2      2.233 CV     1
 OR {  236}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 108  and name HG1 ))
 ASSI {  240}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 26   and name HA  ))
      2.400     0.700     0.700 peak   240 spectrum    1 weight  0.10000E+01 volume  0.51889E-02 ppm1      8.891 ppm2      4.916 CV     1
 ASSI {  244}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 13   and name HB2 ))
      2.700     0.900     0.900 peak   244 spectrum    1 weight  0.10000E+01 volume  0.51207E-02 ppm1      8.312 ppm2      2.683 CV     1
 ASSI {  245}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      2.900     1.100     1.100 peak   245 spectrum    1 weight  0.10000E+01 volume  0.50898E-02 ppm1      7.198 ppm2      1.453 CV     1
 ASSI {  246}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 103  and name HA  ))
      2.300     0.700     0.700 peak   246 spectrum    1 weight  0.10000E+01 volume  0.50886E-02 ppm1      8.793 ppm2      5.542 CV     1
 ASSI {  247}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 98   and name HA  ))
      2.700     0.900     0.900 peak   247 spectrum    1 weight  0.10000E+01 volume  0.50875E-02 ppm1      9.228 ppm2      4.702 CV     1
 ASSI {  248}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 38   and name HB  ))
      2.800     1.000     1.000 peak   248 spectrum    1 weight  0.10000E+01 volume  0.50789E-02 ppm1      8.373 ppm2      1.890 CV     1
 ASSI {  250}
   (( segid " 1SG" and resid 70   and name HN  ))
   (( segid " 1SG" and resid 69   and name HA  ))
      2.400     0.700     0.700 peak   250 spectrum    1 weight  0.10000E+01 volume  0.49864E-02 ppm1      9.273 ppm2      4.579 CV     1
 ASSI {  251}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 84   and name HN  ))
      2.400     0.700     0.700 peak   251 spectrum    1 weight  0.10000E+01 volume  0.49779E-02 ppm1      8.255 ppm2      7.866 CV     1
 ASSI {  253}
   (( segid " 1SG" and resid 10   and name HN  ))
   (( segid " 1SG" and resid 9    and name HA  ))
      2.500     0.800     0.800 peak   253 spectrum    1 weight  0.10000E+01 volume  0.49218E-02 ppm1      8.853 ppm2      4.646 CV     1
 ASSI {  256}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 102  and name HA  ))
      2.400     0.700     0.700 peak   256 spectrum    1 weight  0.10000E+01 volume  0.48862E-02 ppm1      9.243 ppm2      4.989 CV     1
 ASSI {  259}
   (( segid " 1SG" and resid 23   and name HN  ))
   (( segid " 1SG" and resid 23   and name HB  ))
      2.500     0.800     0.800 peak   259 spectrum    1 weight  0.10000E+01 volume  0.47798E-02 ppm1      7.914 ppm2      3.583 CV     1
 ASSI {  265}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 35   and name HG2 ))
      2.500     0.800     0.800 peak   265 spectrum    1 weight  0.10000E+01 volume  0.46284E-02 ppm1      7.511 ppm2      1.348 CV     1
 OR {  265}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 35   and name HG1 ))
 ASSI {  266}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 79   and name HA  ))
      2.600     0.900     0.900 peak   266 spectrum    1 weight  0.10000E+01 volume  0.45735E-02 ppm1      8.973 ppm2      3.661 CV     1
 ASSI {  267}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HG2 ))
      3.400     1.500     1.500 peak   267 spectrum    1 weight  0.10000E+01 volume  0.45580E-02 ppm1      8.306 ppm2      1.685 CV     1
 OR {  267}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HG1 ))
 ASSI {  268}
   (( segid " 1SG" and resid 72   and name HN  ))
   (( segid " 1SG" and resid 71   and name HA  ))
      2.100     0.500     0.500 peak   268 spectrum    1 weight  0.10000E+01 volume  0.45410E-02 ppm1      9.295 ppm2      5.062 CV     1
 ASSI {  269}
   (( segid " 1SG" and resid 17   and name HN  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      3.200     1.200     1.200 peak   269 spectrum    1 weight  0.10000E+01 volume  0.45336E-02 ppm1      7.900 ppm2      1.280 CV     1
 ASSI {  270}
   (( segid " 1SG" and resid 29   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG2%)
      2.400     0.700     0.700 peak   270 spectrum    1 weight  0.10000E+01 volume  0.45189E-02 ppm1      8.855 ppm2      0.945 CV     1
 OR {  270}
   (( segid " 1SG" and resid 29   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG1%)
 ASSI {  271}
   (( segid " 1SG" and resid 94   and name HN  ))
   (( segid " 1SG" and resid 93   and name HA  ))
      2.500     0.800     0.800 peak   271 spectrum    1 weight  0.10000E+01 volume  0.45135E-02 ppm1      8.339 ppm2      4.764 CV     1
 ASSI {  272}
   (( segid " 1SG" and resid 93   and name HN  ))
   (( segid " 1SG" and resid 92   and name HB1 ))
      3.500     1.500     1.500 peak   272 spectrum    1 weight  0.10000E+01 volume  0.44988E-02 ppm1      8.558 ppm2      3.937 CV     1
 OR {  272}
   (( segid " 1SG" and resid 93   and name HN  ))
   (( segid " 1SG" and resid 92   and name HB2 ))
 ASSI {  273}
   (( segid " 1SG" and resid 77   and name HN  ))
   (  segid " 1SG" and resid 76   and name HG2%)
      3.000     1.100     1.100 peak   273 spectrum    1 weight  0.10000E+01 volume  0.44036E-02 ppm1      8.717 ppm2      0.785 CV     1
 ASSI {  274}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 95   and name HN  ))
      1.700     0.400     0.500 peak   274 spectrum    1 weight  0.10000E+01 volume  0.43838E-02 ppm1      7.549 ppm2      7.973 CV     1
 ASSI {  275}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB2 ))
      2.400     0.700     0.700 peak   275 spectrum    1 weight  0.10000E+01 volume  0.43687E-02 ppm1      8.381 ppm2      1.692 CV     1
 OR {  275}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB1 ))
 ASSI {  276}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 96   and name HB2 ))
      3.600     1.600     1.600 peak   276 spectrum    1 weight  0.10000E+01 volume  0.43401E-02 ppm1      8.263 ppm2      1.571 CV     1
 ASSI {  278}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 5    and name HN  ))
      2.300     0.700     0.700 peak   278 spectrum    1 weight  0.10000E+01 volume  0.43200E-02 ppm1      8.263 ppm2      8.143 CV     1
 ASSI {  279}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 68   and name HN  ))
      2.600     0.800     0.800 peak   279 spectrum    1 weight  0.10000E+01 volume  0.43080E-02 ppm1      6.899 ppm2      7.876 CV     1
 ASSI {  281}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 104  and name HA  ))
      2.500     0.800     0.800 peak   281 spectrum    1 weight  0.10000E+01 volume  0.42975E-02 ppm1      8.399 ppm2      5.431 CV     1
 ASSI {  285}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 4    and name HA  ))
      2.600     0.800     0.800 peak   285 spectrum    1 weight  0.10000E+01 volume  0.42670E-02 ppm1      8.264 ppm2      4.015 CV     1
 ASSI {  287}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 78   and name HN  ))
      2.800     1.000     1.000 peak   287 spectrum    1 weight  0.10000E+01 volume  0.41907E-02 ppm1      8.974 ppm2      8.055 CV     1
 ASSI {  288}
   (( segid " 1SG" and resid 86   and name HN  ))
   (( segid " 1SG" and resid 85   and name HA2 ))
      2.300     0.700     0.700 peak   288 spectrum    1 weight  0.10000E+01 volume  0.41861E-02 ppm1      7.948 ppm2      4.508 CV     1
 ASSI {  290}
   (( segid " 1SG" and resid 48   and name HN  ))
   (( segid " 1SG" and resid 48   and name HB2 ))
      2.700     0.900     0.900 peak   290 spectrum    1 weight  0.10000E+01 volume  0.41520E-02 ppm1      8.397 ppm2      2.936 CV     1
 ASSI {  291}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 65   and name HB2 ))
      2.800     1.000     1.000 peak   291 spectrum    1 weight  0.10000E+01 volume  0.41489E-02 ppm1      8.106 ppm2      1.756 CV     1
 OR {  291}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 65   and name HB1 ))
 ASSI {  293}
   (( segid " 1SG" and resid 23   and name HN  ))
   (( segid " 1SG" and resid 104  and name HB2 ))
      4.100     2.100     1.900 peak   293 spectrum    1 weight  0.10000E+01 volume  0.41156E-02 ppm1      7.913 ppm2      1.237 CV     1
 ASSI {  294}
   (( segid " 1SG" and resid 98   and name HN  ))
   (( segid " 1SG" and resid 97   and name HA  ))
      2.600     0.900     0.900 peak   294 spectrum    1 weight  0.10000E+01 volume  0.40943E-02 ppm1      8.417 ppm2      5.247 CV     1
 ASSI {  295}
   (( segid " 1SG" and resid 86   and name HN  ))
   (( segid " 1SG" and resid 85   and name HA1 ))
      2.900     1.100     1.100 peak   295 spectrum    1 weight  0.10000E+01 volume  0.40936E-02 ppm1      7.948 ppm2      3.928 CV     1
 ASSI {  297}
   (( segid " 1SG" and resid 19   and name HN  ))
   (( segid " 1SG" and resid 19   and name HA1 ))
      2.900     1.100     1.100 peak   297 spectrum    1 weight  0.10000E+01 volume  0.40460E-02 ppm1      9.829 ppm2      4.250 CV     1
 ASSI {  298}
   (( segid " 1SG" and resid 19   and name HN  ))
   (  segid " 1SG" and resid 18   and name HG1%)
      3.100     1.200     1.200 peak   298 spectrum    1 weight  0.10000E+01 volume  0.40452E-02 ppm1      9.828 ppm2      0.981 CV     1
 ASSI {  299}
   (( segid " 1SG" and resid 70   and name HN  ))
   (  segid " 1SG" and resid 69   and name HG1%)
      3.000     1.100     1.100 peak   299 spectrum    1 weight  0.10000E+01 volume  0.40022E-02 ppm1      9.273 ppm2      0.839 CV     1
 ASSI {  300}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 27   and name HA  ))
      2.400     0.700     0.700 peak   300 spectrum    1 weight  0.10000E+01 volume  0.39829E-02 ppm1      9.673 ppm2      5.831 CV     1
 ASSI {  302}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 53   and name HA  ))
      2.300     0.700     0.700 peak   302 spectrum    1 weight  0.10000E+01 volume  0.39798E-02 ppm1      6.765 ppm2      4.049 CV     1
 ASSI {  303}
   (( segid " 1SG" and resid 84   and name HN  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      3.500     1.500     1.500 peak   303 spectrum    1 weight  0.10000E+01 volume  0.39624E-02 ppm1      7.866 ppm2      1.494 CV     1
 ASSI {  305}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 51   and name HN  ))
      2.400     0.700     0.700 peak   305 spectrum    1 weight  0.10000E+01 volume  0.39442E-02 ppm1      7.784 ppm2      7.881 CV     1
 ASSI {  306}
   (( segid " 1SG" and resid 24   and name HN  ))
   (  segid " 1SG" and resid 23   and name HG2%)
      2.800     1.000     1.000 peak   306 spectrum    1 weight  0.10000E+01 volume  0.39299E-02 ppm1      9.240 ppm2      0.769 CV     1
 ASSI {  307}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 34   and name HA  ))
      3.000     1.100     1.100 peak   307 spectrum    1 weight  0.10000E+01 volume  0.39202E-02 ppm1      7.511 ppm2      4.289 CV     1
 ASSI {  308}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 2    and name HA  ))
      2.600     0.900     0.900 peak   308 spectrum    1 weight  0.10000E+01 volume  0.39175E-02 ppm1      8.115 ppm2      4.899 CV     1
 ASSI {  309}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 68   and name HA  ))
      2.700     0.900     0.900 peak   309 spectrum    1 weight  0.10000E+01 volume  0.39171E-02 ppm1      6.899 ppm2      3.593 CV     1
 ASSI {  310}
   (( segid " 1SG" and resid 90   and name HN  ))
   (( segid " 1SG" and resid 89   and name HA  ))
      2.600     0.900     0.900 peak   310 spectrum    1 weight  0.10000E+01 volume  0.39086E-02 ppm1      9.489 ppm2      4.946 CV     1
 ASSI {  311}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (  segid " 1SG" and resid 39   and name HG1%)
      2.700     0.900     0.900 peak   311 spectrum    1 weight  0.10000E+01 volume  0.39082E-02 ppm1     10.780 ppm2     -0.081 CV     1
 ASSI {  312}
   (( segid " 1SG" and resid 93   and name HN  ))
   (( segid " 1SG" and resid 93   and name HA  ))
      2.700     0.900     0.900 peak   312 spectrum    1 weight  0.10000E+01 volume  0.38908E-02 ppm1      8.558 ppm2      4.778 CV     1
 ASSI {  314}
   (( segid " 1SG" and resid 72   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD1%)
      2.500     0.800     0.800 peak   314 spectrum    1 weight  0.10000E+01 volume  0.38588E-02 ppm1      9.295 ppm2      0.842 CV     1
 ASSI {  315}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 67   and name HA  ))
      2.800     1.000     1.000 peak   315 spectrum    1 weight  0.10000E+01 volume  0.38128E-02 ppm1      7.421 ppm2      4.297 CV     1
 ASSI {  316}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 83   and name HA  ))
      2.600     0.900     0.900 peak   316 spectrum    1 weight  0.10000E+01 volume  0.38027E-02 ppm1      8.255 ppm2      4.603 CV     1
 ASSI {  318}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      3.500     1.500     1.500 peak   318 spectrum    1 weight  0.10000E+01 volume  0.37778E-02 ppm1      8.940 ppm2      1.448 CV     1
 ASSI {  319}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 48   and name HA  ))
      2.500     0.800     0.800 peak   319 spectrum    1 weight  0.10000E+01 volume  0.37757E-02 ppm1      9.288 ppm2      4.192 CV     1
 ASSI {  320}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 58   and name HB2 ))
      3.300     1.400     1.400 peak   320 spectrum    1 weight  0.10000E+01 volume  0.37732E-02 ppm1      7.438 ppm2      2.396 CV     1
 OR {  320}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 58   and name HB1 ))
 ASSI {  321}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 73   and name HA  ))
      2.400     0.700     0.700 peak   321 spectrum    1 weight  0.10000E+01 volume  0.37727E-02 ppm1      8.470 ppm2      5.470 CV     1
 ASSI {  322}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 52   and name HA  ))
      2.700     0.900     0.900 peak   322 spectrum    1 weight  0.10000E+01 volume  0.37717E-02 ppm1      7.785 ppm2      4.613 CV     1
 ASSI {  323}
   (( segid " 1SG" and resid 40   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG1%)
      2.900     1.100     1.100 peak   323 spectrum    1 weight  0.10000E+01 volume  0.37246E-02 ppm1      8.694 ppm2     -0.080 CV     1
 ASSI {  324}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 43   and name HA  ))
      2.400     0.700     0.700 peak   324 spectrum    1 weight  0.10000E+01 volume  0.37226E-02 ppm1      8.211 ppm2      4.128 CV     1
 ASSI {  326}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 83   and name HB2 ))
      2.400     0.700     0.700 peak   326 spectrum    1 weight  0.10000E+01 volume  0.36882E-02 ppm1      8.255 ppm2      3.172 CV     1
 ASSI {  327}
   (( segid " 1SG" and resid 75   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD1%)
      3.700     1.700     1.700 peak   327 spectrum    1 weight  0.10000E+01 volume  0.36687E-02 ppm1      9.151 ppm2      0.400 CV     1
 OR {  327}
   (( segid " 1SG" and resid 75   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD2%)
 ASSI {  328}
   (( segid " 1SG" and resid 107  and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      2.900     1.100     1.100 peak   328 spectrum    1 weight  0.10000E+01 volume  0.36660E-02 ppm1      8.822 ppm2      0.372 CV     1
 ASSI {  329}
   (( segid " 1SG" and resid 64   and name HN  ))
   (( segid " 1SG" and resid 64   and name HB2 ))
      2.800     1.000     1.000 peak   329 spectrum    1 weight  0.10000E+01 volume  0.36656E-02 ppm1      7.752 ppm2      2.335 CV     1
 ASSI {  330}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 5    and name HA2 ))
      3.400     1.400     1.400 peak   330 spectrum    1 weight  0.10000E+01 volume  0.36556E-02 ppm1      8.264 ppm2      3.842 CV     1
 OR {  330}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 5    and name HA1 ))
 ASSI {  332}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 75   and name HB2 ))
      2.700     0.900     0.900 peak   332 spectrum    1 weight  0.10000E+01 volume  0.36075E-02 ppm1      9.150 ppm2      2.889 CV     1
 OR {  332}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 75   and name HB1 ))
 ASSI {  333}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 15   and name HB1 ))
      2.800     1.000     1.000 peak   333 spectrum    1 weight  0.10000E+01 volume  0.36022E-02 ppm1      8.504 ppm2      2.013 CV     1
 OR {  333}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 15   and name HB2 ))
 ASSI {  336}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (  segid " 1SG" and resid 59   and name HD2%)
      2.700     0.900     0.900 peak   336 spectrum    1 weight  0.10000E+01 volume  0.35512E-02 ppm1     10.780 ppm2      0.692 CV     1
 ASSI {  339}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 19   and name HN  ))
      2.500     0.800     0.800 peak   339 spectrum    1 weight  0.10000E+01 volume  0.35237E-02 ppm1      8.825 ppm2      9.828 CV     1
 ASSI {  340}
   (( segid " 1SG" and resid 80   and name HE21))
   (( segid " 1SG" and resid 80   and name HG1 ))
      2.800     1.000     1.000 peak   340 spectrum    1 weight  0.10000E+01 volume  0.35182E-02 ppm1      6.984 ppm2      2.164 CV     1
 OR {  340}
   (( segid " 1SG" and resid 80   and name HE21))
   (( segid " 1SG" and resid 80   and name HG2 ))
 ASSI {  342}
   (( segid " 1SG" and resid 18   and name HN  ))
   (( segid " 1SG" and resid 17   and name HB  ))
      2.900     1.100     1.100 peak   342 spectrum    1 weight  0.10000E+01 volume  0.35090E-02 ppm1      8.006 ppm2      4.061 CV     1
 ASSI {  344}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 107  and name HB1 ))
      2.800     1.000     1.000 peak   344 spectrum    1 weight  0.10000E+01 volume  0.34975E-02 ppm1      8.825 ppm2      3.076 CV     1
 OR {  344}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 107  and name HB2 ))
 ASSI {  346}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HA  ))
      2.700     0.900     0.900 peak   346 spectrum    1 weight  0.10000E+01 volume  0.34820E-02 ppm1      8.305 ppm2      3.450 CV     1
 ASSI {  348}
   (( segid " 1SG" and resid 21   and name HN  ))
   (( segid " 1SG" and resid 20   and name HN  ))
      3.600     1.600     1.600 peak   348 spectrum    1 weight  0.10000E+01 volume  0.34576E-02 ppm1      8.168 ppm2      8.828 CV     1
 ASSI {  350}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 42   and name HA  ))
      2.700     0.900     0.900 peak   350 spectrum    1 weight  0.10000E+01 volume  0.34400E-02 ppm1      8.632 ppm2      5.786 CV     1
 ASSI {  351}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 54   and name HN  ))
      2.700     0.900     0.900 peak   351 spectrum    1 weight  0.10000E+01 volume  0.34205E-02 ppm1      7.198 ppm2      9.022 CV     1
 ASSI {  352}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 15   and name HB2 ))
      3.300     1.400     1.400 peak   352 spectrum    1 weight  0.10000E+01 volume  0.34191E-02 ppm1      8.593 ppm2      2.019 CV     1
 OR {  352}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 15   and name HB1 ))
 ASSI {  353}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 4    and name HG12))
      3.500     1.500     1.500 peak   353 spectrum    1 weight  0.10000E+01 volume  0.34190E-02 ppm1      8.263 ppm2      1.225 CV     1
 ASSI {  354}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 16   and name HA  ))
      2.800     1.000     1.000 peak   354 spectrum    1 weight  0.10000E+01 volume  0.34156E-02 ppm1      8.593 ppm2      4.581 CV     1
 ASSI {  355}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 52   and name HA  ))
      3.200     1.300     1.300 peak   355 spectrum    1 weight  0.10000E+01 volume  0.34136E-02 ppm1      6.764 ppm2      4.611 CV     1
 ASSI {  356}
   (( segid " 1SG" and resid 48   and name HN  ))
   (  segid " 1SG" and resid 47   and name HG2%)
      3.700     1.700     1.700 peak   356 spectrum    1 weight  0.10000E+01 volume  0.34051E-02 ppm1      8.397 ppm2      0.779 CV     1
 ASSI {  357}
   (( segid " 1SG" and resid 23   and name HN  ))
   (( segid " 1SG" and resid 22   and name HG12))
      3.800     1.800     1.800 peak   357 spectrum    1 weight  0.10000E+01 volume  0.34024E-02 ppm1      7.913 ppm2      0.071 CV     1
 ASSI {  358}
   (( segid " 1SG" and resid 39   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG2%)
      2.600     0.800     0.800 peak   358 spectrum    1 weight  0.10000E+01 volume  0.34011E-02 ppm1      7.891 ppm2     -0.459 CV     1
 ASSI {  362}
   (( segid " 1SG" and resid 18   and name HN  ))
   (( segid " 1SG" and resid 18   and name HA  ))
      2.600     0.900     0.900 peak   362 spectrum    1 weight  0.10000E+01 volume  0.33574E-02 ppm1      8.005 ppm2      3.479 CV     1
 ASSI {  363}
   (( segid " 1SG" and resid 47   and name HN  ))
   (  segid " 1SG" and resid 47   and name HG2%)
      2.600     0.800     0.800 peak   363 spectrum    1 weight  0.10000E+01 volume  0.33314E-02 ppm1      7.291 ppm2      0.780 CV     1
 ASSI {  364}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 65   and name HN  ))
      2.700     0.900     0.900 peak   364 spectrum    1 weight  0.10000E+01 volume  0.33252E-02 ppm1      8.106 ppm2      8.306 CV     1
 ASSI {  367}
   (( segid " 1SG" and resid 17   and name HN  ))
   (( segid " 1SG" and resid 16   and name HB  ))
      2.900     1.000     1.000 peak   367 spectrum    1 weight  0.10000E+01 volume  0.33090E-02 ppm1      7.901 ppm2      1.791 CV     1
 ASSI {  368}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 67   and name HB1 ))
      2.800     1.000     1.000 peak   368 spectrum    1 weight  0.10000E+01 volume  0.33059E-02 ppm1      7.421 ppm2      3.728 CV     1
 OR {  368}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 67   and name HB2 ))
 ASSI {  370}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 61   and name HB2 ))
      3.300     1.400     1.400 peak   370 spectrum    1 weight  0.10000E+01 volume  0.32971E-02 ppm1      8.849 ppm2      2.303 CV     1
 ASSI {  371}
   (( segid " 1SG" and resid 92   and name HN  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      2.500     0.800     0.800 peak   371 spectrum    1 weight  0.10000E+01 volume  0.32928E-02 ppm1      8.734 ppm2      0.173 CV     1
 ASSI {  372}
   (( segid " 1SG" and resid 64   and name HN  ))
   (( segid " 1SG" and resid 64   and name HA  ))
      2.800     1.000     1.000 peak   372 spectrum    1 weight  0.10000E+01 volume  0.32889E-02 ppm1      7.752 ppm2      4.579 CV     1
 ASSI {  373}
   (( segid " 1SG" and resid 64   and name HN  ))
   (  segid " 1SG" and resid 63   and name HD% )
      3.300     1.300     1.300 peak   373 spectrum    1 weight  0.10000E+01 volume  0.32767E-02 ppm1      7.752 ppm2      5.902 CV     1
 ASSI {  374}
   (( segid " 1SG" and resid 77   and name HN  ))
   (  segid " 1SG" and resid 77   and name HG2%)
      2.800     1.000     1.000 peak   374 spectrum    1 weight  0.10000E+01 volume  0.32620E-02 ppm1      8.717 ppm2      1.030 CV     1
 ASSI {  376}
   (( segid " 1SG" and resid 42   and name HN  ))
   (( segid " 1SG" and resid 41   and name HA  ))
      2.600     0.900     0.900 peak   376 spectrum    1 weight  0.10000E+01 volume  0.32530E-02 ppm1      9.447 ppm2      5.468 CV     1
 ASSI {  378}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 12   and name HB2 ))
      3.500     1.600     1.600 peak   378 spectrum    1 weight  0.10000E+01 volume  0.32430E-02 ppm1      8.312 ppm2      1.966 CV     1
 ASSI {  379}
   (( segid " 1SG" and resid 58   and name HE22))
   (( segid " 1SG" and resid 58   and name HB2 ))
      3.800     1.800     1.800 peak   379 spectrum    1 weight  0.10000E+01 volume  0.32350E-02 ppm1      6.684 ppm2      2.396 CV     1
 OR {  379}
   (( segid " 1SG" and resid 58   and name HE22))
   (( segid " 1SG" and resid 58   and name HB1 ))
 ASSI {  382}
   (( segid " 1SG" and resid 76   and name HN  ))
   (( segid " 1SG" and resid 76   and name HB  ))
      2.600     0.800     0.800 peak   382 spectrum    1 weight  0.10000E+01 volume  0.32132E-02 ppm1      8.925 ppm2      1.902 CV     1
 ASSI {  383}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 12   and name HG2 ))
      4.100     2.100     1.900 peak   383 spectrum    1 weight  0.10000E+01 volume  0.32096E-02 ppm1      8.312 ppm2      2.471 CV     1
 OR {  383}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 12   and name HG1 ))
 ASSI {  384}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 96   and name HG1 ))
      3.100     1.200     1.200 peak   384 spectrum    1 weight  0.10000E+01 volume  0.32064E-02 ppm1      7.548 ppm2      1.318 CV     1
 OR {  384}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 96   and name HG2 ))
 ASSI {  388}
   (( segid " 1SG" and resid 106  and name HN  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      3.700     1.700     1.700 peak   388 spectrum    1 weight  0.10000E+01 volume  0.31740E-02 ppm1      8.150 ppm2      1.495 CV     1
 ASSI {  389}
   (( segid " 1SG" and resid 26   and name HN  ))
   (  segid " 1SG" and resid 26   and name HB% )
      2.700     0.900     0.900 peak   389 spectrum    1 weight  0.10000E+01 volume  0.31707E-02 ppm1      9.497 ppm2      1.455 CV     1
 ASSI {  390}
   (( segid " 1SG" and resid 20   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      3.300     1.300     1.300 peak   390 spectrum    1 weight  0.10000E+01 volume  0.31669E-02 ppm1      8.825 ppm2      1.174 CV     1
 ASSI {  391}
   (( segid " 1SG" and resid 21   and name HN  ))
   (( segid " 1SG" and resid 21   and name HA  ))
      2.500     0.800     0.800 peak   391 spectrum    1 weight  0.10000E+01 volume  0.31623E-02 ppm1      8.169 ppm2      5.493 CV     1
 ASSI {  392}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 59   and name HG  ))
      3.500     1.600     1.600 peak   392 spectrum    1 weight  0.10000E+01 volume  0.31589E-02 ppm1      8.382 ppm2      1.425 CV     1
 ASSI {  393}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 57   and name HA  ))
      2.600     0.900     0.900 peak   393 spectrum    1 weight  0.10000E+01 volume  0.31589E-02 ppm1      7.198 ppm2      5.399 CV     1
 ASSI {  395}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 107  and name HA  ))
      2.700     0.900     0.900 peak   395 spectrum    1 weight  0.10000E+01 volume  0.31486E-02 ppm1      8.825 ppm2      4.841 CV     1
 ASSI {  396}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 53   and name HB  ))
      3.500     1.500     1.500 peak   396 spectrum    1 weight  0.10000E+01 volume  0.31389E-02 ppm1      9.019 ppm2      2.127 CV     1
 ASSI {  397}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 52   and name HG2 ))
      2.400     0.700     0.700 peak   397 spectrum    1 weight  0.10000E+01 volume  0.31372E-02 ppm1      7.786 ppm2      1.324 CV     1
 OR {  397}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 52   and name HG1 ))
 ASSI {  398}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 13   and name HA  ))
      2.800     1.000     1.000 peak   398 spectrum    1 weight  0.10000E+01 volume  0.31348E-02 ppm1      8.312 ppm2      5.337 CV     1
 ASSI {  399}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 44   and name HA1 ))
      2.700     0.900     0.900 peak   399 spectrum    1 weight  0.10000E+01 volume  0.31206E-02 ppm1      8.211 ppm2      3.463 CV     1
 ASSI {  401}
   (( segid " 1SG" and resid 12   and name HN  ))
   (( segid " 1SG" and resid 12   and name HG1 ))
      3.000     1.100     1.100 peak   401 spectrum    1 weight  0.10000E+01 volume  0.31044E-02 ppm1      8.346 ppm2      2.468 CV     1
 OR {  401}
   (( segid " 1SG" and resid 12   and name HN  ))
   (( segid " 1SG" and resid 12   and name HG2 ))
 ASSI {  403}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB2 ))
      3.400     1.400     1.400 peak   403 spectrum    1 weight  0.10000E+01 volume  0.30866E-02 ppm1      8.686 ppm2      1.687 CV     1
 OR {  403}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB1 ))
 ASSI {  404}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 62   and name HA  ))
      2.800     1.000     1.000 peak   404 spectrum    1 weight  0.10000E+01 volume  0.30853E-02 ppm1      8.849 ppm2      4.602 CV     1
 ASSI {  407}
   (( segid " 1SG" and resid 60   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD2%)
      3.000     1.100     1.100 peak   407 spectrum    1 weight  0.10000E+01 volume  0.30638E-02 ppm1      8.689 ppm2      0.691 CV     1
 ASSI {  408}
   (( segid " 1SG" and resid 106  and name HN  ))
   (  segid " 1SG" and resid 106  and name HG1%)
      2.500     0.800     0.800 peak   408 spectrum    1 weight  0.10000E+01 volume  0.30481E-02 ppm1      8.151 ppm2      0.679 CV     1
 ASSI {  409}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 41   and name HD1 ))
      2.800     0.900     0.900 peak   409 spectrum    1 weight  0.10000E+01 volume  0.30340E-02 ppm1      9.308 ppm2      7.130 CV     1
 ASSI {  411}
   (( segid " 1SG" and resid 51   and name HN  ))
   (( segid " 1SG" and resid 51   and name HA  ))
      2.900     1.100     1.100 peak   411 spectrum    1 weight  0.10000E+01 volume  0.29815E-02 ppm1      7.877 ppm2      4.560 CV     1
 ASSI {  413}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 15   and name HG2 ))
      3.100     1.200     1.200 peak   413 spectrum    1 weight  0.10000E+01 volume  0.29711E-02 ppm1      8.506 ppm2      2.277 CV     1
 OR {  413}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 15   and name HG1 ))
 ASSI {  415}
   (( segid " 1SG" and resid 17   and name HN  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      3.100     1.200     1.200 peak   415 spectrum    1 weight  0.10000E+01 volume  0.29705E-02 ppm1      7.900 ppm2      0.602 CV     1
 ASSI {  416}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 15   and name HA  ))
      2.800     1.000     1.000 peak   416 spectrum    1 weight  0.10000E+01 volume  0.29625E-02 ppm1      8.504 ppm2      5.491 CV     1
 ASSI {  417}
   (( segid " 1SG" and resid 103  and name HD21))
   (( segid " 1SG" and resid 103  and name HB2 ))
      2.700     0.900     0.900 peak   417 spectrum    1 weight  0.10000E+01 volume  0.29590E-02 ppm1      7.721 ppm2      2.502 CV     1
 ASSI {  421}
   (( segid " 1SG" and resid 80   and name HE22))
   (( segid " 1SG" and resid 80   and name HG1 ))
      3.700     1.700     1.700 peak   421 spectrum    1 weight  0.10000E+01 volume  0.29465E-02 ppm1      6.645 ppm2      2.164 CV     1
 OR {  421}
   (( segid " 1SG" and resid 80   and name HE22))
   (( segid " 1SG" and resid 80   and name HG2 ))
 ASSI {  422}
   (( segid " 1SG" and resid 100  and name HN  ))
   (( segid " 1SG" and resid 99   and name HA  ))
      2.800     0.900     0.900 peak   422 spectrum    1 weight  0.10000E+01 volume  0.29329E-02 ppm1      8.896 ppm2      5.700 CV     1
 ASSI {  424}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 38   and name HA  ))
      2.800     1.000     1.000 peak   424 spectrum    1 weight  0.10000E+01 volume  0.29181E-02 ppm1      8.372 ppm2      3.897 CV     1
 ASSI {  425}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 53   and name HB  ))
      3.000     1.100     1.100 peak   425 spectrum    1 weight  0.10000E+01 volume  0.29086E-02 ppm1      7.785 ppm2      2.145 CV     1
 ASSI {  426}
   (( segid " 1SG" and resid 78   and name HN  ))
   (  segid " 1SG" and resid 77   and name HG2%)
      4.000     2.000     2.000 peak   426 spectrum    1 weight  0.10000E+01 volume  0.29081E-02 ppm1      8.054 ppm2      1.025 CV     1
 ASSI {  427}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 103  and name HB2 ))
      2.900     1.000     1.000 peak   427 spectrum    1 weight  0.10000E+01 volume  0.29066E-02 ppm1      9.242 ppm2      2.501 CV     1
 ASSI {  430}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 50   and name HA  ))
      3.000     1.100     1.100 peak   430 spectrum    1 weight  0.10000E+01 volume  0.28740E-02 ppm1      8.940 ppm2      3.956 CV     1
 ASSI {  431}
   (( segid " 1SG" and resid 23   and name HN  ))
   (  segid " 1SG" and resid 22   and name HD1%)
      2.800     1.000     1.000 peak   431 spectrum    1 weight  0.10000E+01 volume  0.28706E-02 ppm1      7.912 ppm2      0.534 CV     1
 ASSI {  432}
   (( segid " 1SG" and resid 30   and name HN  ))
   (( segid " 1SG" and resid 69   and name HA  ))
      2.700     0.900     0.900 peak   432 spectrum    1 weight  0.10000E+01 volume  0.28624E-02 ppm1      8.591 ppm2      4.580 CV     1
 ASSI {  434}
   (( segid " 1SG" and resid 61   and name HN  ))
   (( segid " 1SG" and resid 61   and name HA  ))
      2.700     0.900     0.900 peak   434 spectrum    1 weight  0.10000E+01 volume  0.28493E-02 ppm1      8.180 ppm2      5.560 CV     1
 ASSI {  435}
   (( segid " 1SG" and resid 87   and name HN  ))
   (( segid " 1SG" and resid 86   and name HA2 ))
      2.600     0.800     0.800 peak   435 spectrum    1 weight  0.10000E+01 volume  0.28423E-02 ppm1      9.112 ppm2      4.658 CV     1
 ASSI {  437}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 13   and name HA  ))
      2.900     1.000     1.000 peak   437 spectrum    1 weight  0.10000E+01 volume  0.28357E-02 ppm1      9.242 ppm2      5.338 CV     1
 ASSI {  439}
   (( segid " 1SG" and resid 8    and name HN  ))
   (( segid " 1SG" and resid 7    and name HA  ))
      2.700     0.900     0.900 peak   439 spectrum    1 weight  0.10000E+01 volume  0.28298E-02 ppm1      9.052 ppm2      4.631 CV     1
 ASSI {  440}
   (( segid " 1SG" and resid 86   and name HN  ))
   (( segid " 1SG" and resid 86   and name HA2 ))
      3.000     1.100     1.100 peak   440 spectrum    1 weight  0.10000E+01 volume  0.28295E-02 ppm1      7.947 ppm2      4.658 CV     1
 ASSI {  443}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 77   and name HB  ))
      2.600     0.900     0.900 peak   443 spectrum    1 weight  0.10000E+01 volume  0.27968E-02 ppm1      8.053 ppm2      4.009 CV     1
 ASSI {  446}
   (( segid " 1SG" and resid 101  and name HN  ))
   (( segid " 1SG" and resid 100  and name HA  ))
      2.600     0.900     0.900 peak   446 spectrum    1 weight  0.10000E+01 volume  0.27550E-02 ppm1      9.045 ppm2      4.660 CV     1
 ASSI {  448}
   (( segid " 1SG" and resid 63   and name HN  ))
   (( segid " 1SG" and resid 62   and name HB2 ))
      3.500     1.500     1.500 peak   448 spectrum    1 weight  0.10000E+01 volume  0.27538E-02 ppm1      8.516 ppm2      3.810 CV     1
 ASSI {  449}
   (( segid " 1SG" and resid 8    and name HN  ))
   (  segid " 1SG" and resid 8    and name HG2%)
      2.600     0.900     0.900 peak   449 spectrum    1 weight  0.10000E+01 volume  0.27537E-02 ppm1      9.052 ppm2      0.947 CV     1
 OR {  449}
   (( segid " 1SG" and resid 8    and name HN  ))
   (  segid " 1SG" and resid 8    and name HG1%)
 ASSI {  450}
   (( segid " 1SG" and resid 9    and name HN  ))
   (  segid " 1SG" and resid 8    and name HG2%)
      3.800     1.800     1.800 peak   450 spectrum    1 weight  0.10000E+01 volume  0.27367E-02 ppm1      7.890 ppm2      0.950 CV     1
 OR {  450}
   (( segid " 1SG" and resid 9    and name HN  ))
   (  segid " 1SG" and resid 8    and name HG1%)
 ASSI {  453}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 52   and name HB2 ))
      2.900     1.100     1.100 peak   453 spectrum    1 weight  0.10000E+01 volume  0.27109E-02 ppm1      7.785 ppm2      1.718 CV     1
 ASSI {  454}
   (( segid " 1SG" and resid 39   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG1%)
      3.900     1.900     1.900 peak   454 spectrum    1 weight  0.10000E+01 volume  0.27059E-02 ppm1      7.892 ppm2     -0.081 CV     1
 ASSI {  456}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 37   and name HB2 ))
      3.200     1.200     1.200 peak   456 spectrum    1 weight  0.10000E+01 volume  0.26892E-02 ppm1      8.373 ppm2      1.365 CV     1
 OR {  456}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 37   and name HG2 ))
 ASSI {  458}
   (( segid " 1SG" and resid 48   and name HN  ))
   (  segid " 1SG" and resid 47   and name HG1%)
      3.000     1.100     1.100 peak   458 spectrum    1 weight  0.10000E+01 volume  0.26739E-02 ppm1      8.397 ppm2      0.978 CV     1
 ASSI {  460}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 54   and name HA1 ))
      2.900     1.000     1.000 peak   460 spectrum    1 weight  0.10000E+01 volume  0.26637E-02 ppm1      9.019 ppm2      3.910 CV     1
 ASSI {  461}
   (( segid " 1SG" and resid 93   and name HN  ))
   (  segid " 1SG" and resid 93   and name HG2%)
      3.600     1.600     1.600 peak   461 spectrum    1 weight  0.10000E+01 volume  0.26581E-02 ppm1      8.557 ppm2      1.024 CV     1
 ASSI {  463}
   (( segid " 1SG" and resid 84   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG1%)
      2.600     0.800     0.800 peak   463 spectrum    1 weight  0.10000E+01 volume  0.26126E-02 ppm1      7.866 ppm2      0.680 CV     1
 ASSI {  465}
   (( segid " 1SG" and resid 40   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG2%)
      3.900     1.900     1.900 peak   465 spectrum    1 weight  0.10000E+01 volume  0.26045E-02 ppm1      8.695 ppm2     -0.459 CV     1
 ASSI {  466}
   (( segid " 1SG" and resid 24   and name HN  ))
   (  segid " 1SG" and resid 24   and name HD% )
      3.200     1.300     1.300 peak   466 spectrum    1 weight  0.10000E+01 volume  0.25955E-02 ppm1      9.240 ppm2      6.937 CV     1
 ASSI {  468}
   (( segid " 1SG" and resid 83   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG1%)
      2.700     0.900     0.900 peak   468 spectrum    1 weight  0.10000E+01 volume  0.25930E-02 ppm1      8.255 ppm2      0.675 CV     1
 ASSI {  469}
   (( segid " 1SG" and resid 27   and name HN  ))
   (  segid " 1SG" and resid 26   and name HB% )
      3.400     1.500     1.500 peak   469 spectrum    1 weight  0.10000E+01 volume  0.25830E-02 ppm1      8.888 ppm2      1.455 CV     1
 ASSI {  470}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 47   and name HA  ))
      2.700     0.900     0.900 peak   470 spectrum    1 weight  0.10000E+01 volume  0.25789E-02 ppm1      7.291 ppm2      4.058 CV     1
 ASSI {  474}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 21   and name HB2 ))
      2.800     1.000     1.000 peak   474 spectrum    1 weight  0.10000E+01 volume  0.25701E-02 ppm1      8.888 ppm2      3.751 CV     1
 ASSI {  476}
   (( segid " 1SG" and resid 51   and name HN  ))
   (( segid " 1SG" and resid 50   and name HN  ))
      2.800     1.000     1.000 peak   476 spectrum    1 weight  0.10000E+01 volume  0.25613E-02 ppm1      7.880 ppm2      8.943 CV     1
 ASSI {  477}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 18   and name HA  ))
      3.900     1.900     1.900 peak   477 spectrum    1 weight  0.10000E+01 volume  0.25589E-02 ppm1      8.823 ppm2      3.479 CV     1
 ASSI {  479}
   (( segid " 1SG" and resid 76   and name HN  ))
   (  segid " 1SG" and resid 23   and name HG2%)
      3.600     1.700     1.700 peak   479 spectrum    1 weight  0.10000E+01 volume  0.25547E-02 ppm1      8.927 ppm2      0.780 CV     1
 ASSI {  480}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 22   and name HA  ))
      2.700     0.900     0.900 peak   480 spectrum    1 weight  0.10000E+01 volume  0.25412E-02 ppm1      8.888 ppm2      4.342 CV     1
 ASSI {  482}
   (( segid " 1SG" and resid 49   and name HN  ))
   (  segid " 1SG" and resid 49   and name HD1%)
      2.500     0.800     0.800 peak   482 spectrum    1 weight  0.10000E+01 volume  0.25346E-02 ppm1      9.288 ppm2      1.750 CV     1
 ASSI {  483}
   (( segid " 1SG" and resid 30   and name HN  ))
   (( segid " 1SG" and resid 30   and name HA1 ))
      2.700     0.900     0.900 peak   483 spectrum    1 weight  0.10000E+01 volume  0.25262E-02 ppm1      8.591 ppm2      3.945 CV     1
 ASSI {  484}
   (( segid " 1SG" and resid 18   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.200     1.300     1.300 peak   484 spectrum    1 weight  0.10000E+01 volume  0.25008E-02 ppm1      8.006 ppm2      0.372 CV     1
 ASSI {  487}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 69   and name HB  ))
      3.000     3.000     3.000 peak   487 spectrum    1 weight  0.10000E+01 volume  0.24731E-02 ppm1      8.723 ppm2      1.750 CV     1
 ASSI {  489}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 97   and name HB2 ))
      3.000     1.200     1.200 peak   489 spectrum    1 weight  0.10000E+01 volume  0.24675E-02 ppm1      8.062 ppm2      2.677 CV     1
 ASSI {  490}
   (( segid " 1SG" and resid 83   and name HN  ))
   (  segid " 1SG" and resid 83   and name HD% )
      3.600     1.600     1.600 peak   490 spectrum    1 weight  0.10000E+01 volume  0.24674E-02 ppm1      8.256 ppm2      7.116 CV     1
 ASSI {  493}
   (( segid " 1SG" and resid 23   and name HN  ))
   (( segid " 1SG" and resid 22   and name HB  ))
      3.700     1.700     1.700 peak   493 spectrum    1 weight  0.10000E+01 volume  0.24585E-02 ppm1      7.914 ppm2      1.515 CV     1
 ASSI {  495}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 44   and name HA2 ))
      2.800     1.000     1.000 peak   495 spectrum    1 weight  0.10000E+01 volume  0.24453E-02 ppm1      8.211 ppm2      3.816 CV     1
 ASSI {  498}
   (( segid " 1SG" and resid 52   and name HN  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      3.200     1.300     1.300 peak   498 spectrum    1 weight  0.10000E+01 volume  0.24352E-02 ppm1      7.782 ppm2      1.075 CV     1
 ASSI {  500}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 66   and name HA  ))
      3.100     1.200     1.200 peak   500 spectrum    1 weight  0.10000E+01 volume  0.24310E-02 ppm1      7.422 ppm2      4.123 CV     1
 ASSI {  501}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 106  and name HB  ))
      2.800     1.000     1.000 peak   501 spectrum    1 weight  0.10000E+01 volume  0.24273E-02 ppm1      8.151 ppm2      1.850 CV     1
 ASSI {  503}
   (( segid " 1SG" and resid 87   and name HN  ))
   (  segid " 1SG" and resid 87   and name HD% )
      2.500     0.800     0.800 peak   503 spectrum    1 weight  0.10000E+01 volume  0.24016E-02 ppm1      9.115 ppm2      6.800 CV     1
 ASSI {  504}
   (( segid " 1SG" and resid 61   and name HN  ))
   (( segid " 1SG" and resid 60   and name HB2 ))
      3.900     1.900     1.900 peak   504 spectrum    1 weight  0.10000E+01 volume  0.23925E-02 ppm1      8.180 ppm2      2.991 CV     1
 ASSI {  506}
   (( segid " 1SG" and resid 82   and name HN  ))
   (  segid " 1SG" and resid 82   and name HB% )
      3.200     1.200     1.200 peak   506 spectrum    1 weight  0.10000E+01 volume  0.23755E-02 ppm1      8.017 ppm2      1.312 CV     1
 ASSI {  508}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 96   and name HB2 ))
      3.800     1.800     1.800 peak   508 spectrum    1 weight  0.10000E+01 volume  0.23657E-02 ppm1      8.059 ppm2      1.560 CV     1
 ASSI {  509}
   (( segid " 1SG" and resid 80   and name HE21))
   (( segid " 1SG" and resid 80   and name HB1 ))
      2.900     1.100     1.100 peak   509 spectrum    1 weight  0.10000E+01 volume  0.23619E-02 ppm1      6.985 ppm2      1.949 CV     1
 OR {  509}
   (( segid " 1SG" and resid 80   and name HE21))
   (( segid " 1SG" and resid 80   and name HB2 ))
 ASSI {  510}
   (( segid " 1SG" and resid 85   and name HN  ))
   (( segid " 1SG" and resid 85   and name HA1 ))
      2.700     0.900     0.900 peak   510 spectrum    1 weight  0.10000E+01 volume  0.23511E-02 ppm1      9.407 ppm2      3.930 CV     1
 ASSI {  511}
   (( segid " 1SG" and resid 12   and name HN  ))
   (( segid " 1SG" and resid 12   and name HB2 ))
      2.800     1.000     1.000 peak   511 spectrum    1 weight  0.10000E+01 volume  0.23390E-02 ppm1      8.347 ppm2      1.969 CV     1
 ASSI {  512}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 102  and name HB2 ))
      3.300     1.400     1.400 peak   512 spectrum    1 weight  0.10000E+01 volume  0.23390E-02 ppm1      9.242 ppm2      2.724 CV     1
 ASSI {  515}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 20   and name HN  ))
      3.300     1.400     1.400 peak   515 spectrum    1 weight  0.10000E+01 volume  0.23308E-02 ppm1      8.972 ppm2      8.828 CV     1
 ASSI {  516}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 8    and name HB  ))
      2.900     1.000     1.000 peak   516 spectrum    1 weight  0.10000E+01 volume  0.23205E-02 ppm1      7.887 ppm2      1.807 CV     1
 ASSI {  518}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 87   and name HA  ))
      2.600     0.900     0.900 peak   518 spectrum    1 weight  0.10000E+01 volume  0.23131E-02 ppm1      9.108 ppm2      4.962 CV     1
 ASSI {  526}
   (( segid " 1SG" and resid 29   and name HN  ))
   (( segid " 1SG" and resid 29   and name HA  ))
      2.800     1.000     1.000 peak   526 spectrum    1 weight  0.10000E+01 volume  0.22503E-02 ppm1      8.854 ppm2      4.390 CV     1
 ASSI {  530}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 54   and name HA2 ))
      3.200     1.300     1.300 peak   530 spectrum    1 weight  0.10000E+01 volume  0.22259E-02 ppm1      9.019 ppm2      4.291 CV     1
 ASSI {  531}
   (( segid " 1SG" and resid 19   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      3.300     1.400     1.400 peak   531 spectrum    1 weight  0.10000E+01 volume  0.22104E-02 ppm1      9.828 ppm2      1.174 CV     1
 ASSI {  532}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 60   and name HB2 ))
      2.800     1.000     1.000 peak   532 spectrum    1 weight  0.10000E+01 volume  0.22083E-02 ppm1      8.687 ppm2      2.990 CV     1
 ASSI {  533}
   (( segid " 1SG" and resid 5    and name HN  ))
   (( segid " 1SG" and resid 4    and name HB  ))
      2.500     0.800     0.800 peak   533 spectrum    1 weight  0.10000E+01 volume  0.21981E-02 ppm1      8.144 ppm2      2.029 CV     1
 ASSI {  534}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 71   and name HN  ))
      3.000     1.100     1.100 peak   534 spectrum    1 weight  0.10000E+01 volume  0.21961E-02 ppm1      8.848 ppm2      8.722 CV     1
 ASSI {  535}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 105  and name HB  ))
      3.000     1.100     1.100 peak   535 spectrum    1 weight  0.10000E+01 volume  0.21856E-02 ppm1      8.398 ppm2      3.929 CV     1
 ASSI {  537}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 58   and name HA  ))
      2.800     1.000     1.000 peak   537 spectrum    1 weight  0.10000E+01 volume  0.21834E-02 ppm1      8.940 ppm2      4.631 CV     1
 ASSI {  539}
   (( segid " 1SG" and resid 28   and name HN  ))
   (  segid " 1SG" and resid 28   and name HG2%)
      3.100     1.200     1.200 peak   539 spectrum    1 weight  0.10000E+01 volume  0.21757E-02 ppm1      9.673 ppm2      0.631 CV     1
 ASSI {  540}
   (( segid " 1SG" and resid 48   and name HN  ))
   (( segid " 1SG" and resid 48   and name HA  ))
      2.900     1.100     1.100 peak   540 spectrum    1 weight  0.10000E+01 volume  0.21682E-02 ppm1      8.396 ppm2      4.191 CV     1
 ASSI {  541}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 40   and name HB2 ))
      3.800     1.800     1.800 peak   541 spectrum    1 weight  0.10000E+01 volume  0.21663E-02 ppm1      8.694 ppm2      1.340 CV     1
 ASSI {  542}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 59   and name HA  ))
      2.800     1.000     1.000 peak   542 spectrum    1 weight  0.10000E+01 volume  0.21647E-02 ppm1      8.380 ppm2      5.185 CV     1
 ASSI {  544}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 16   and name HN  ))
      3.200     1.300     1.300 peak   544 spectrum    1 weight  0.10000E+01 volume  0.21525E-02 ppm1      8.823 ppm2      8.584 CV     1
 ASSI {  545}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 93   and name HN  ))
      2.800     1.000     1.000 peak   545 spectrum    1 weight  0.10000E+01 volume  0.21509E-02 ppm1      7.548 ppm2      8.557 CV     1
 ASSI {  546}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 71   and name HB2 ))
      3.200     1.300     1.300 peak   546 spectrum    1 weight  0.10000E+01 volume  0.21451E-02 ppm1      8.723 ppm2      1.271 CV     1
 ASSI {  548}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 58   and name HG2 ))
      4.300     2.400     1.700 peak   548 spectrum    1 weight  0.10000E+01 volume  0.21375E-02 ppm1      8.378 ppm2      1.797 CV     1
 ASSI {  549}
   (( segid " 1SG" and resid 91   and name HN  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      3.800     1.800     1.800 peak   549 spectrum    1 weight  0.10000E+01 volume  0.21375E-02 ppm1      8.474 ppm2      0.179 CV     1
 ASSI {  550}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 14   and name HA2 ))
      2.700     0.900     0.900 peak   550 spectrum    1 weight  0.10000E+01 volume  0.21324E-02 ppm1      9.184 ppm2      4.939 CV     1
 ASSI {  551}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 40   and name HB2 ))
      3.400     1.400     1.400 peak   551 spectrum    1 weight  0.10000E+01 volume  0.21284E-02 ppm1      9.309 ppm2      1.344 CV     1
 ASSI {  554}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 88   and name HA  ))
      2.800     1.000     1.000 peak   554 spectrum    1 weight  0.10000E+01 volume  0.21182E-02 ppm1      8.977 ppm2      5.305 CV     1
 ASSI {  555}
   (( segid " 1SG" and resid 59   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD1%)
      4.200     2.200     1.800 peak   555 spectrum    1 weight  0.10000E+01 volume  0.21140E-02 ppm1      8.380 ppm2      0.859 CV     1
 ASSI {  558}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 49   and name HN  ))
      2.900     1.000     1.000 peak   558 spectrum    1 weight  0.10000E+01 volume  0.20956E-02 ppm1      8.941 ppm2      9.293 CV     1
 ASSI {  559}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 47   and name HB  ))
      3.600     1.700     1.700 peak   559 spectrum    1 weight  0.10000E+01 volume  0.20931E-02 ppm1      8.633 ppm2      2.501 CV     1
 ASSI {  560}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 92   and name HB2 ))
      3.100     1.200     1.200 peak   560 spectrum    1 weight  0.10000E+01 volume  0.20868E-02 ppm1      8.734 ppm2      3.936 CV     1
 OR {  560}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 92   and name HB1 ))
 ASSI {  561}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 96   and name HB2 ))
      2.400     0.700     0.700 peak   561 spectrum    1 weight  0.10000E+01 volume  0.20807E-02 ppm1      7.548 ppm2      1.566 CV     1
 ASSI {  563}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 64   and name HA  ))
      3.900     1.900     1.900 peak   563 spectrum    1 weight  0.10000E+01 volume  0.20699E-02 ppm1      8.107 ppm2      4.573 CV     1
 ASSI {  564}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 39   and name HA  ))
      2.800     1.000     1.000 peak   564 spectrum    1 weight  0.10000E+01 volume  0.20666E-02 ppm1      7.892 ppm2      4.799 CV     1
 ASSI {  565}
   (( segid " 1SG" and resid 72   and name HN  ))
   (  segid " 1SG" and resid 72   and name HD% )
      2.600     0.800     0.800 peak   565 spectrum    1 weight  0.10000E+01 volume  0.20653E-02 ppm1      9.296 ppm2      7.306 CV     1
 ASSI {  566}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 14   and name HA1 ))
      3.000     1.100     1.100 peak   566 spectrum    1 weight  0.10000E+01 volume  0.20554E-02 ppm1      9.184 ppm2      3.743 CV     1
 ASSI {  567}
   (( segid " 1SG" and resid 77   and name HN  ))
   (( segid " 1SG" and resid 77   and name HA  ))
      2.800     1.000     1.000 peak   567 spectrum    1 weight  0.10000E+01 volume  0.20552E-02 ppm1      8.715 ppm2      4.655 CV     1
 ASSI {  570}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 87   and name HA  ))
      3.100     1.200     1.200 peak   570 spectrum    1 weight  0.10000E+01 volume  0.20234E-02 ppm1      8.211 ppm2      4.972 CV     1
 ASSI {  571}
   (( segid " 1SG" and resid 30   and name HN  ))
   (( segid " 1SG" and resid 30   and name HA2 ))
      3.200     1.300     1.300 peak   571 spectrum    1 weight  0.10000E+01 volume  0.20211E-02 ppm1      8.590 ppm2      4.673 CV     1
 ASSI {  573}
   (( segid " 1SG" and resid 108  and name HN  ))
   (  segid " 1SG" and resid 18   and name HG2%)
      3.500     1.500     1.500 peak   573 spectrum    1 weight  0.10000E+01 volume  0.19956E-02 ppm1      8.565 ppm2      0.943 CV     1
 ASSI {  574}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 13   and name HB2 ))
      2.100     2.100     3.900 peak   574 spectrum    1 weight  0.10000E+01 volume  0.19939E-02 ppm1      9.184 ppm2      2.684 CV     1
 ASSI {  575}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 75   and name HB2 ))
      3.100     1.200     1.200 peak   575 spectrum    1 weight  0.10000E+01 volume  0.19934E-02 ppm1      8.941 ppm2      2.888 CV     1
 OR {  575}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 75   and name HB1 ))
 ASSI {  576}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 77   and name HA  ))
      2.800     1.000     1.000 peak   576 spectrum    1 weight  0.10000E+01 volume  0.19829E-02 ppm1      8.887 ppm2      4.655 CV     1
 ASSI {  578}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 40   and name HA  ))
      2.900     1.000     1.000 peak   578 spectrum    1 weight  0.10000E+01 volume  0.19823E-02 ppm1      8.696 ppm2      4.547 CV     1
 ASSI {  579}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 65   and name HA  ))
      3.300     1.300     1.300 peak   579 spectrum    1 weight  0.10000E+01 volume  0.19801E-02 ppm1      8.106 ppm2      3.452 CV     1
 ASSI {  581}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 84   and name HA  ))
      2.900     1.100     1.100 peak   581 spectrum    1 weight  0.10000E+01 volume  0.19601E-02 ppm1      8.151 ppm2      4.228 CV     1
 OR {  581}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 84   and name HB  ))
 ASSI {  582}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 56   and name HN  ))
      3.000     1.100     1.100 peak   582 spectrum    1 weight  0.10000E+01 volume  0.19599E-02 ppm1      7.199 ppm2      8.391 CV     1
 ASSI {  584}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 96   and name HG1 ))
      4.000     2.000     2.000 peak   584 spectrum    1 weight  0.10000E+01 volume  0.19584E-02 ppm1      8.062 ppm2      1.318 CV     1
 OR {  584}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 96   and name HG2 ))
 ASSI {  585}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HB1 ))
      2.900     1.100     1.100 peak   585 spectrum    1 weight  0.10000E+01 volume  0.19556E-02 ppm1      8.888 ppm2      1.573 CV     1
 OR {  585}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HB2 ))
 ASSI {  587}
   (( segid " 1SG" and resid 79   and name HN  ))
   (  segid " 1SG" and resid 76   and name HG2%)
      3.300     1.400     1.400 peak   587 spectrum    1 weight  0.10000E+01 volume  0.19478E-02 ppm1      8.974 ppm2      0.787 CV     1
 ASSI {  590}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 53   and name HA  ))
      3.800     1.800     1.800 peak   590 spectrum    1 weight  0.10000E+01 volume  0.19229E-02 ppm1      7.198 ppm2      4.042 CV     1
 ASSI {  592}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 94   and name HA  ))
      3.100     1.200     1.200 peak   592 spectrum    1 weight  0.10000E+01 volume  0.19196E-02 ppm1      7.971 ppm2      4.045 CV     1
 ASSI {  593}
   (( segid " 1SG" and resid 63   and name HN  ))
   (( segid " 1SG" and resid 63   and name HB2 ))
      3.800     1.800     1.800 peak   593 spectrum    1 weight  0.10000E+01 volume  0.19185E-02 ppm1      8.518 ppm2      2.529 CV     1
 ASSI {  595}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 76   and name HB  ))
      3.500     1.500     1.500 peak   595 spectrum    1 weight  0.10000E+01 volume  0.19056E-02 ppm1      8.888 ppm2      1.901 CV     1
 ASSI {  596}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 104  and name HA  ))
      2.900     1.000     1.000 peak   596 spectrum    1 weight  0.10000E+01 volume  0.19034E-02 ppm1      9.184 ppm2      5.418 CV     1
 ASSI {  597}
   (( segid " 1SG" and resid 18   and name HN  ))
   (( segid " 1SG" and resid 108  and name HA  ))
      3.500     1.600     1.600 peak   597 spectrum    1 weight  0.10000E+01 volume  0.19034E-02 ppm1      8.006 ppm2      4.146 CV     1
 ASSI {  599}
   (( segid " 1SG" and resid 80   and name HN  ))
   (( segid " 1SG" and resid 79   and name HA  ))
      2.800     1.000     1.000 peak   599 spectrum    1 weight  0.10000E+01 volume  0.18878E-02 ppm1      5.579 ppm2      3.659 CV     1
 ASSI {  601}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      4.000     2.000     2.000 peak   601 spectrum    1 weight  0.10000E+01 volume  0.18751E-02 ppm1      9.018 ppm2      1.461 CV     1
 ASSI {  603}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 38   and name HN  ))
      2.900     1.100     1.100 peak   603 spectrum    1 weight  0.10000E+01 volume  0.18654E-02 ppm1      8.735 ppm2      8.378 CV     1
 ASSI {  604}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 46   and name HN  ))
      2.500     0.800     0.800 peak   604 spectrum    1 weight  0.10000E+01 volume  0.18636E-02 ppm1      7.293 ppm2      8.221 CV     1
 ASSI {  608}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 78   and name HB2 ))
      3.200     1.300     1.300 peak   608 spectrum    1 weight  0.10000E+01 volume  0.18467E-02 ppm1      8.054 ppm2      2.374 CV     1
 ASSI {  611}
   (( segid " 1SG" and resid 23   and name HN  ))
   (  segid " 1SG" and resid 23   and name HG2%)
      3.800     1.800     1.800 peak   611 spectrum    1 weight  0.10000E+01 volume  0.18379E-02 ppm1      7.914 ppm2      0.771 CV     1
 ASSI {  612}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 28   and name HB  ))
      3.000     1.100     1.100 peak   612 spectrum    1 weight  0.10000E+01 volume  0.18297E-02 ppm1      9.674 ppm2      1.955 CV     1
 ASSI {  613}
   (( segid " 1SG" and resid 107  and name HN  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      3.600     1.600     1.600 peak   613 spectrum    1 weight  0.10000E+01 volume  0.18274E-02 ppm1      8.823 ppm2      0.606 CV     1
 ASSI {  614}
   (( segid " 1SG" and resid 17   and name HN  ))
   (( segid " 1SG" and resid 18   and name HN  ))
      3.600     1.700     1.700 peak   614 spectrum    1 weight  0.10000E+01 volume  0.18211E-02 ppm1      7.899 ppm2      7.995 CV     1
 ASSI {  619}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 2    and name HB2 ))
      4.400     2.400     1.600 peak   619 spectrum    1 weight  0.10000E+01 volume  0.17777E-02 ppm1      7.971 ppm2      2.674 CV     1
 ASSI {  620}
   (( segid " 1SG" and resid 107  and name HN  ))
   (  segid " 1SG" and resid 106  and name HG1%)
      3.900     1.900     1.900 peak   620 spectrum    1 weight  0.10000E+01 volume  0.17748E-02 ppm1      8.823 ppm2      0.675 CV     1
 ASSI {  622}
   (( segid " 1SG" and resid 61   and name HN  ))
   (( segid " 1SG" and resid 61   and name HB2 ))
      3.300     1.400     1.400 peak   622 spectrum    1 weight  0.10000E+01 volume  0.17631E-02 ppm1      8.177 ppm2      2.298 CV     1
 ASSI {  623}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 58   and name HG2 ))
      3.300     1.400     1.400 peak   623 spectrum    1 weight  0.10000E+01 volume  0.17625E-02 ppm1      8.941 ppm2      1.805 CV     1
 ASSI {  626}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 92   and name HA  ))
      3.100     1.200     1.200 peak   626 spectrum    1 weight  0.10000E+01 volume  0.17584E-02 ppm1      8.735 ppm2      5.242 CV     1
 ASSI {  627}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 68   and name HN  ))
      3.800     1.800     1.800 peak   627 spectrum    1 weight  0.10000E+01 volume  0.17582E-02 ppm1      8.106 ppm2      7.877 CV     1
 ASSI {  630}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 16   and name HB  ))
      3.700     1.700     1.700 peak   630 spectrum    1 weight  0.10000E+01 volume  0.17407E-02 ppm1      8.594 ppm2      1.795 CV     1
 ASSI {  631}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 97   and name HA  ))
      3.100     1.200     1.200 peak   631 spectrum    1 weight  0.10000E+01 volume  0.17406E-02 ppm1      8.062 ppm2      5.253 CV     1
 ASSI {  632}
   (( segid " 1SG" and resid 58   and name HE22))
   (( segid " 1SG" and resid 76   and name HG12))
      4.000     2.000     2.000 peak   632 spectrum    1 weight  0.10000E+01 volume  0.17389E-02 ppm1      6.684 ppm2      1.101 CV     1
 ASSI {  635}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB2 ))
      3.100     1.200     1.200 peak   635 spectrum    1 weight  0.10000E+01 volume  0.17307E-02 ppm1      8.944 ppm2      2.395 CV     1
 OR {  635}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB1 ))
 ASSI {  636}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 25   and name HB2 ))
      3.200     1.300     1.300 peak   636 spectrum    1 weight  0.10000E+01 volume  0.17240E-02 ppm1      8.404 ppm2      3.599 CV     1
 ASSI {  637}
   (( segid " 1SG" and resid 7    and name HN  ))
   (  segid " 1SG" and resid 7    and name HD% )
      3.800     1.900     1.900 peak   637 spectrum    1 weight  0.10000E+01 volume  0.17192E-02 ppm1      8.878 ppm2      7.307 CV     1
 ASSI {  638}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 75   and name HA  ))
      3.100     1.200     1.200 peak   638 spectrum    1 weight  0.10000E+01 volume  0.17171E-02 ppm1      9.154 ppm2      5.086 CV     1
 ASSI {  642}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 35   and name HD1 ))
      3.400     1.500     1.500 peak   642 spectrum    1 weight  0.10000E+01 volume  0.17030E-02 ppm1      8.373 ppm2      1.622 CV     1
 OR {  642}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 35   and name HD2 ))
 ASSI {  643}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 75   and name HN  ))
      2.900     1.100     1.100 peak   643 spectrum    1 weight  0.10000E+01 volume  0.17016E-02 ppm1      8.939 ppm2      9.154 CV     1
 ASSI {  644}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 19   and name HN  ))
      3.300     1.400     1.400 peak   644 spectrum    1 weight  0.10000E+01 volume  0.16829E-02 ppm1      8.973 ppm2      9.828 CV     1
 ASSI {  645}
   (( segid " 1SG" and resid 59   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD2%)
      3.800     1.800     1.800 peak   645 spectrum    1 weight  0.10000E+01 volume  0.16795E-02 ppm1      8.381 ppm2      0.692 CV     1
 ASSI {  646}
   (( segid " 1SG" and resid 5    and name HN  ))
   (( segid " 1SG" and resid 4    and name HA  ))
      3.300     1.300     1.300 peak   646 spectrum    1 weight  0.10000E+01 volume  0.16760E-02 ppm1      8.144 ppm2      4.009 CV     1
 ASSI {  647}
   (( segid " 1SG" and resid 77   and name HN  ))
   (( segid " 1SG" and resid 57   and name HA  ))
      4.000     2.000     2.000 peak   647 spectrum    1 weight  0.10000E+01 volume  0.16746E-02 ppm1      8.715 ppm2      5.396 CV     1
 ASSI {  649}
   (( segid " 1SG" and resid 80   and name HE22))
   (( segid " 1SG" and resid 80   and name HB1 ))
      4.000     2.000     2.000 peak   649 spectrum    1 weight  0.10000E+01 volume  0.16679E-02 ppm1      6.645 ppm2      1.953 CV     1
 OR {  649}
   (( segid " 1SG" and resid 80   and name HE22))
   (( segid " 1SG" and resid 80   and name HB2 ))
 ASSI {  651}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 94   and name HB2 ))
      2.700     0.900     0.900 peak   651 spectrum    1 weight  0.10000E+01 volume  0.16557E-02 ppm1      7.971 ppm2      1.782 CV     1
 ASSI {  652}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 11   and name HA  ))
      3.300     1.400     1.400 peak   652 spectrum    1 weight  0.10000E+01 volume  0.16488E-02 ppm1      8.398 ppm2      4.795 CV     1
 ASSI {  653}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 64   and name HB2 ))
      3.100     1.200     1.200 peak   653 spectrum    1 weight  0.10000E+01 volume  0.16443E-02 ppm1      6.898 ppm2      2.337 CV     1
 ASSI {  654}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 59   and name HG  ))
      4.000     2.000     2.000 peak   654 spectrum    1 weight  0.10000E+01 volume  0.16423E-02 ppm1      8.699 ppm2      1.425 CV     1
 ASSI {  656}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 68   and name HA  ))
      4.700     2.700     1.300 peak   656 spectrum    1 weight  0.10000E+01 volume  0.16379E-02 ppm1      7.420 ppm2      3.594 CV     1
 ASSI {  658}
   (( segid " 1SG" and resid 26   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD1%)
      3.000     1.100     1.100 peak   658 spectrum    1 weight  0.10000E+01 volume  0.16368E-02 ppm1      9.497 ppm2      0.841 CV     1
 ASSI {  659}
   (( segid " 1SG" and resid 103  and name HD22))
   (( segid " 1SG" and resid 103  and name HB2 ))
      4.200     2.200     1.800 peak   659 spectrum    1 weight  0.10000E+01 volume  0.16343E-02 ppm1      6.747 ppm2      2.501 CV     1
 ASSI {  660}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 24   and name HB2 ))
      3.700     1.700     1.700 peak   660 spectrum    1 weight  0.10000E+01 volume  0.16335E-02 ppm1      8.399 ppm2      2.394 CV     1
 ASSI {  661}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 45   and name HD1 ))
      3.600     1.600     1.600 peak   661 spectrum    1 weight  0.10000E+01 volume  0.16300E-02 ppm1     10.113 ppm2      1.215 CV     1
 OR {  661}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 45   and name HD2 ))
 ASSI {  662}
   (( segid " 1SG" and resid 34   and name HN  ))
   (( segid " 1SG" and resid 93   and name HA  ))
      4.600     2.600     1.400 peak   662 spectrum    1 weight  0.10000E+01 volume  0.16252E-02 ppm1      8.673 ppm2      4.763 CV     1
 ASSI {  663}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 73   and name HN  ))
      3.200     1.300     1.300 peak   663 spectrum    1 weight  0.10000E+01 volume  0.16223E-02 ppm1      8.686 ppm2      9.449 CV     1
 ASSI {  664}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 61   and name HA  ))
      3.800     1.800     1.800 peak   664 spectrum    1 weight  0.10000E+01 volume  0.16216E-02 ppm1      9.450 ppm2      5.557 CV     1
 ASSI {  665}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 24   and name HA  ))
      3.100     1.200     1.200 peak   665 spectrum    1 weight  0.10000E+01 volume  0.16214E-02 ppm1      9.240 ppm2      4.615 CV     1
 ASSI {  666}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 27   and name HB2 ))
      3.200     1.300     1.300 peak   666 spectrum    1 weight  0.10000E+01 volume  0.16080E-02 ppm1      9.672 ppm2      1.578 CV     1
 OR {  666}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 27   and name HB1 ))
 ASSI {  667}
   (( segid " 1SG" and resid 104  and name HN  ))
   (  segid " 1SG" and resid 87   and name HD% )
      3.300     1.300     1.300 peak   667 spectrum    1 weight  0.10000E+01 volume  0.16066E-02 ppm1      8.792 ppm2      6.806 CV     1
 ASSI {  668}
   (( segid " 1SG" and resid 26   and name HN  ))
   (( segid " 1SG" and resid 25   and name HB2 ))
      3.700     1.700     1.700 peak   668 spectrum    1 weight  0.10000E+01 volume  0.16017E-02 ppm1      9.497 ppm2      3.598 CV     1
 ASSI {  669}
   (( segid " 1SG" and resid 58   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
      3.300     1.400     1.400 peak   669 spectrum    1 weight  0.10000E+01 volume  0.16014E-02 ppm1      8.941 ppm2      0.604 CV     1
 OR {  669}
   (( segid " 1SG" and resid 58   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI {  670}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 3    and name HD2 ))
      4.100     2.100     1.900 peak   670 spectrum    1 weight  0.10000E+01 volume  0.15925E-02 ppm1      8.118 ppm2      3.845 CV     1
 OR {  670}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 3    and name HD1 ))
 ASSI {  672}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 93   and name HA  ))
      3.400     1.500     1.500 peak   672 spectrum    1 weight  0.10000E+01 volume  0.15882E-02 ppm1      8.375 ppm2      4.772 CV     1
 ASSI {  673}
   (( segid " 1SG" and resid 25   and name HN  ))
   (  segid " 1SG" and resid 24   and name HD% )
      4.000     2.000     2.000 peak   673 spectrum    1 weight  0.10000E+01 volume  0.15863E-02 ppm1      8.400 ppm2      6.932 CV     1
 ASSI {  676}
   (( segid " 1SG" and resid 68   and name HN  ))
   (( segid " 1SG" and resid 67   and name HA  ))
      3.500     1.600     1.600 peak   676 spectrum    1 weight  0.10000E+01 volume  0.15790E-02 ppm1      7.874 ppm2      4.297 CV     1
 ASSI {  678}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 107  and name HD2 ))
      3.200     1.300     1.300 peak   678 spectrum    1 weight  0.10000E+01 volume  0.15765E-02 ppm1      8.821 ppm2      6.922 CV     1
 ASSI {  679}
   (( segid " 1SG" and resid 8    and name HN  ))
   (( segid " 1SG" and resid 8    and name HB  ))
      3.100     1.200     1.200 peak   679 spectrum    1 weight  0.10000E+01 volume  0.15728E-02 ppm1      9.052 ppm2      1.821 CV     1
 ASSI {  680}
   (( segid " 1SG" and resid 77   and name HN  ))
   (( segid " 1SG" and resid 77   and name HB  ))
      3.600     1.600     1.600 peak   680 spectrum    1 weight  0.10000E+01 volume  0.15717E-02 ppm1      8.717 ppm2      4.008 CV     1
 ASSI {  681}
   (( segid " 1SG" and resid 23   and name HN  ))
   (( segid " 1SG" and resid 23   and name HA  ))
      3.000     1.100     1.100 peak   681 spectrum    1 weight  0.10000E+01 volume  0.15694E-02 ppm1      7.913 ppm2      5.100 CV     1
 ASSI {  682}
   (( segid " 1SG" and resid 100  and name HN  ))
   (( segid " 1SG" and resid 90   and name HA  ))
      3.800     1.800     1.800 peak   682 spectrum    1 weight  0.10000E+01 volume  0.15678E-02 ppm1      8.897 ppm2      4.788 CV     1
 ASSI {  683}
   (( segid " 1SG" and resid 76   and name HN  ))
   (( segid " 1SG" and resid 75   and name HB1 ))
      4.000     2.000     2.000 peak   683 spectrum    1 weight  0.10000E+01 volume  0.15659E-02 ppm1      8.925 ppm2      2.891 CV     1
 OR {  683}
   (( segid " 1SG" and resid 76   and name HN  ))
   (( segid " 1SG" and resid 75   and name HB2 ))
 ASSI {  684}
   (( segid " 1SG" and resid 102  and name HN  ))
   (( segid " 1SG" and resid 102  and name HA  ))
      3.200     1.200     1.200 peak   684 spectrum    1 weight  0.10000E+01 volume  0.15646E-02 ppm1      8.557 ppm2      4.989 CV     1
 ASSI {  686}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 49   and name HB2 ))
      3.900     1.900     1.900 peak   686 spectrum    1 weight  0.10000E+01 volume  0.15626E-02 ppm1      7.786 ppm2      1.548 CV     1
 ASSI {  690}
   (( segid " 1SG" and resid 64   and name HN  ))
   (( segid " 1SG" and resid 69   and name HN  ))
      3.200     1.300     1.300 peak   690 spectrum    1 weight  0.10000E+01 volume  0.15503E-02 ppm1      7.751 ppm2      6.898 CV     1
 ASSI {  691}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 33   and name HA  ))
      4.100     2.100     1.900 peak   691 spectrum    1 weight  0.10000E+01 volume  0.15495E-02 ppm1      7.509 ppm2      4.450 CV     1
 ASSI {  694}
   (( segid " 1SG" and resid 74   and name HN  ))
   (  segid " 1SG" and resid 23   and name HG2%)
      3.500     1.500     1.500 peak   694 spectrum    1 weight  0.10000E+01 volume  0.15428E-02 ppm1      8.470 ppm2      0.765 CV     1
 ASSI {  696}
   (( segid " 1SG" and resid 68   and name HN  ))
   (( segid " 1SG" and resid 65   and name HA  ))
      3.000     1.100     1.100 peak   696 spectrum    1 weight  0.10000E+01 volume  0.15357E-02 ppm1      7.878 ppm2      3.451 CV     1
 ASSI {  698}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 45   and name HB2 ))
      3.700     1.700     1.700 peak   698 spectrum    1 weight  0.10000E+01 volume  0.15263E-02 ppm1     10.115 ppm2      0.595 CV     1
 OR {  698}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 45   and name HG2 ))
 ASSI {  699}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 38   and name HB  ))
      3.900     1.900     1.900 peak   699 spectrum    1 weight  0.10000E+01 volume  0.15225E-02 ppm1      7.893 ppm2      1.891 CV     1
 ASSI {  700}
   (( segid " 1SG" and resid 26   and name HN  ))
   (( segid " 1SG" and resid 26   and name HA  ))
      3.100     1.200     1.200 peak   700 spectrum    1 weight  0.10000E+01 volume  0.15190E-02 ppm1      9.494 ppm2      4.916 CV     1
 ASSI {  701}
   (( segid " 1SG" and resid 106  and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      4.100     2.100     1.900 peak   701 spectrum    1 weight  0.10000E+01 volume  0.15185E-02 ppm1      8.148 ppm2      0.372 CV     1
 ASSI {  702}
   (( segid " 1SG" and resid 50   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD1%)
      3.800     1.800     1.800 peak   702 spectrum    1 weight  0.10000E+01 volume  0.15183E-02 ppm1      8.941 ppm2      0.855 CV     1
 ASSI {  703}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 21   and name HA  ))
      2.800     1.000     1.000 peak   703 spectrum    1 weight  0.10000E+01 volume  0.15181E-02 ppm1      8.053 ppm2      5.494 CV     1
 ASSI {  704}
   (( segid " 1SG" and resid 38   and name HN  ))
   (  segid " 1SG" and resid 93   and name HG2%)
      4.100     2.100     1.900 peak   704 spectrum    1 weight  0.10000E+01 volume  0.15159E-02 ppm1      8.372 ppm2      1.022 CV     1
 ASSI {  705}
   (( segid " 1SG" and resid 84   and name HN  ))
   (( segid " 1SG" and resid 104  and name HG  ))
      3.500     1.500     1.500 peak   705 spectrum    1 weight  0.10000E+01 volume  0.15142E-02 ppm1      7.866 ppm2      1.316 CV     1
 ASSI {  706}
   (( segid " 1SG" and resid 87   and name HN  ))
   (( segid " 1SG" and resid 103  and name HA  ))
      3.200     1.300     1.300 peak   706 spectrum    1 weight  0.10000E+01 volume  0.15135E-02 ppm1      9.115 ppm2      5.535 CV     1
 ASSI {  707}
   (( segid " 1SG" and resid 33   and name HN  ))
   (( segid " 1SG" and resid 33   and name HB2 ))
      3.800     1.800     1.800 peak   707 spectrum    1 weight  0.10000E+01 volume  0.15107E-02 ppm1      7.611 ppm2      1.718 CV     1
 ASSI {  708}
   (( segid " 1SG" and resid 71   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD2%)
      4.400     2.500     1.600 peak   708 spectrum    1 weight  0.10000E+01 volume  0.15089E-02 ppm1      8.723 ppm2      0.733 CV     1
 ASSI {  709}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 27   and name HB1 ))
      3.100     1.200     1.200 peak   709 spectrum    1 weight  0.10000E+01 volume  0.15081E-02 ppm1      7.888 ppm2      1.570 CV     1
 OR {  709}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 27   and name HB2 ))
 ASSI {  710}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 72   and name HA  ))
      3.600     1.600     1.600 peak   710 spectrum    1 weight  0.10000E+01 volume  0.15044E-02 ppm1      8.849 ppm2      5.367 CV     1
 ASSI {  711}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 24   and name HB2 ))
      3.000     1.100     1.100 peak   711 spectrum    1 weight  0.10000E+01 volume  0.15028E-02 ppm1      9.240 ppm2      2.394 CV     1
 ASSI {  712}
   (( segid " 1SG" and resid 19   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      4.200     2.200     1.800 peak   712 spectrum    1 weight  0.10000E+01 volume  0.15005E-02 ppm1      9.827 ppm2      0.372 CV     1
 ASSI {  713}
   (( segid " 1SG" and resid 72   and name HN  ))
   (( segid " 1SG" and resid 72   and name HB2 ))
      2.700     0.900     0.900 peak   713 spectrum    1 weight  0.10000E+01 volume  0.14990E-02 ppm1      9.295 ppm2      2.892 CV     1
 ASSI {  715}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 49   and name HA  ))
      3.200     1.300     1.300 peak   715 spectrum    1 weight  0.10000E+01 volume  0.14984E-02 ppm1      8.940 ppm2      3.867 CV     1
 ASSI {  716}
   (( segid " 1SG" and resid 42   and name HN  ))
   (  segid " 1SG" and resid 42   and name HD% )
      4.200     2.200     1.800 peak   716 spectrum    1 weight  0.10000E+01 volume  0.14979E-02 ppm1      9.448 ppm2      6.695 CV     1
 ASSI {  718}
   (( segid " 1SG" and resid 85   and name HN  ))
   (( segid " 1SG" and resid 104  and name HN  ))
      3.400     1.400     1.400 peak   718 spectrum    1 weight  0.10000E+01 volume  0.14941E-02 ppm1      9.408 ppm2      8.792 CV     1
 ASSI {  720}
   (( segid " 1SG" and resid 54   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
      3.600     1.600     1.600 peak   720 spectrum    1 weight  0.10000E+01 volume  0.14845E-02 ppm1      9.023 ppm2      0.598 CV     1
 OR {  720}
   (( segid " 1SG" and resid 54   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI {  725}
   (( segid " 1SG" and resid 74   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD2%)
      3.200     1.300     1.300 peak   725 spectrum    1 weight  0.10000E+01 volume  0.14799E-02 ppm1      8.471 ppm2      0.409 CV     1
 OR {  725}
   (( segid " 1SG" and resid 74   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI {  728}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (  segid " 1SG" and resid 72   and name HD% )
      3.000     1.100     1.100 peak   728 spectrum    1 weight  0.10000E+01 volume  0.14655E-02 ppm1     10.780 ppm2      7.306 CV     1
 ASSI {  729}
   (( segid " 1SG" and resid 44   and name HN  ))
   (  segid " 1SG" and resid 47   and name HG1%)
      4.400     2.400     1.600 peak   729 spectrum    1 weight  0.10000E+01 volume  0.14606E-02 ppm1      8.212 ppm2      0.992 CV     1
 ASSI {  730}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 107  and name HN  ))
      3.800     1.800     1.800 peak   730 spectrum    1 weight  0.10000E+01 volume  0.14564E-02 ppm1      8.563 ppm2      8.822 CV     1
 ASSI {  732}
   (( segid " 1SG" and resid 6    and name HN  ))
   (( segid " 1SG" and resid 7    and name HN  ))
      2.900     1.100     1.100 peak   732 spectrum    1 weight  0.10000E+01 volume  0.14537E-02 ppm1      8.450 ppm2      8.878 CV     1
 ASSI {  733}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 103  and name HB2 ))
      3.700     1.700     1.700 peak   733 spectrum    1 weight  0.10000E+01 volume  0.14524E-02 ppm1      8.794 ppm2      2.502 CV     1
 ASSI {  734}
   (( segid " 1SG" and resid 49   and name HN  ))
   (  segid " 1SG" and resid 49   and name HD2%)
      4.200     2.200     1.800 peak   734 spectrum    1 weight  0.10000E+01 volume  0.14431E-02 ppm1      9.288 ppm2      1.014 CV     1
 ASSI {  735}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (( segid " 1SG" and resid 72   and name HB2 ))
      3.300     1.400     1.400 peak   735 spectrum    1 weight  0.10000E+01 volume  0.14424E-02 ppm1     10.779 ppm2      2.895 CV     1
 ASSI {  737}
   (( segid " 1SG" and resid 63   and name HN  ))
   (  segid " 1SG" and resid 63   and name HD% )
      4.200     2.200     1.800 peak   737 spectrum    1 weight  0.10000E+01 volume  0.14343E-02 ppm1      8.518 ppm2      5.900 CV     1
 ASSI {  742}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 15   and name HG1 ))
      4.500     2.600     1.500 peak   742 spectrum    1 weight  0.10000E+01 volume  0.14228E-02 ppm1      8.593 ppm2      2.271 CV     1
 OR {  742}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 15   and name HG2 ))
 ASSI {  745}
   (( segid " 1SG" and resid 53   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
      3.300     1.300     1.300 peak   745 spectrum    1 weight  0.10000E+01 volume  0.14090E-02 ppm1      6.764 ppm2      0.597 CV     1
 OR {  745}
   (( segid " 1SG" and resid 53   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI {  746}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 3    and name HB1 ))
      4.100     2.100     1.900 peak   746 spectrum    1 weight  0.10000E+01 volume  0.14083E-02 ppm1      8.263 ppm2      2.285 CV     1
 OR {  746}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 3    and name HB2 ))
 ASSI {  747}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 49   and name HA  ))
      3.200     1.300     1.300 peak   747 spectrum    1 weight  0.10000E+01 volume  0.14073E-02 ppm1      7.785 ppm2      3.862 CV     1
 ASSI {  748}
   (( segid " 1SG" and resid 73   and name HN  ))
   (  segid " 1SG" and resid 72   and name HD% )
      2.500     2.500     3.500 peak   748 spectrum    1 weight  0.10000E+01 volume  0.14072E-02 ppm1      9.449 ppm2      7.306 CV     1
 ASSI {  751}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 18   and name HN  ))
      3.700     1.700     1.700 peak   751 spectrum    1 weight  0.10000E+01 volume  0.14023E-02 ppm1      8.821 ppm2      8.005 CV     1
 ASSI {  753}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 25   and name HA  ))
      2.900     1.100     1.100 peak   753 spectrum    1 weight  0.10000E+01 volume  0.13972E-02 ppm1      8.399 ppm2      5.688 CV     1
 ASSI {  754}
   (( segid " 1SG" and resid 31   and name HN  ))
   (( segid " 1SG" and resid 31   and name HA  ))
      2.800     1.000     1.000 peak   754 spectrum    1 weight  0.10000E+01 volume  0.13968E-02 ppm1      8.418 ppm2      4.164 CV     1
 ASSI {  755}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 22   and name HB  ))
      3.200     1.300     1.300 peak   755 spectrum    1 weight  0.10000E+01 volume  0.13955E-02 ppm1      8.887 ppm2      1.514 CV     1
 ASSI {  758}
   (( segid " 1SG" and resid 57   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
      3.900     1.900     1.900 peak   758 spectrum    1 weight  0.10000E+01 volume  0.13919E-02 ppm1      7.199 ppm2      0.601 CV     1
 OR {  758}
   (( segid " 1SG" and resid 57   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI {  759}
   (( segid " 1SG" and resid 83   and name HN  ))
   (  segid " 1SG" and resid 104  and name HD2%)
      4.300     2.300     1.700 peak   759 spectrum    1 weight  0.10000E+01 volume  0.13885E-02 ppm1      8.256 ppm2      0.808 CV     1
 ASSI {  760}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 9    and name HB2 ))
      4.500     2.500     1.500 peak   760 spectrum    1 weight  0.10000E+01 volume  0.13849E-02 ppm1      8.888 ppm2      1.892 CV     1
 ASSI {  762}
   (( segid " 1SG" and resid 68   and name HN  ))
   (  segid " 1SG" and resid 66   and name HB% )
      2.500     2.500     3.500 peak   762 spectrum    1 weight  0.10000E+01 volume  0.13757E-02 ppm1      7.875 ppm2      1.403 CV     1
 ASSI {  764}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 74   and name HB2 ))
      2.700     0.900     0.900 peak   764 spectrum    1 weight  0.10000E+01 volume  0.13717E-02 ppm1      8.470 ppm2     -0.840 CV     1
 ASSI {  765}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 8    and name HA  ))
      3.600     1.600     1.600 peak   765 spectrum    1 weight  0.10000E+01 volume  0.13716E-02 ppm1      7.888 ppm2      4.174 CV     1
 ASSI {  767}
   (( segid " 1SG" and resid 91   and name HN  ))
   (( segid " 1SG" and resid 91   and name HB  ))
      3.100     1.200     1.200 peak   767 spectrum    1 weight  0.10000E+01 volume  0.13640E-02 ppm1      8.474 ppm2      1.131 CV     1
 ASSI {  770}
   (( segid " 1SG" and resid 102  and name HN  ))
   (( segid " 1SG" and resid 88   and name HA  ))
      3.600     1.700     1.700 peak   770 spectrum    1 weight  0.10000E+01 volume  0.13549E-02 ppm1      8.557 ppm2      5.305 CV     1
 ASSI {  771}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 57   and name HG  ))
      4.200     2.200     1.800 peak   771 spectrum    1 weight  0.10000E+01 volume  0.13542E-02 ppm1      7.198 ppm2      0.750 CV     1
 ASSI {  772}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 73   and name HA  ))
      3.100     1.200     1.200 peak   772 spectrum    1 weight  0.10000E+01 volume  0.13540E-02 ppm1      9.448 ppm2      5.466 CV     1
 ASSI {  774}
   (( segid " 1SG" and resid 12   and name HE21))
   (( segid " 1SG" and resid 12   and name HA  ))
      2.900     1.100     1.100 peak   774 spectrum    1 weight  0.10000E+01 volume  0.13522E-02 ppm1      7.451 ppm2      4.687 CV     1
 ASSI {  775}
   (( segid " 1SG" and resid 10   and name HN  ))
   (( segid " 1SG" and resid 10   and name HB2 ))
      3.700     1.700     1.700 peak   775 spectrum    1 weight  0.10000E+01 volume  0.13504E-02 ppm1      8.853 ppm2      1.250 CV     1
 ASSI {  777}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 94   and name HG2 ))
      3.400     1.500     1.500 peak   777 spectrum    1 weight  0.10000E+01 volume  0.13471E-02 ppm1      7.971 ppm2      1.402 CV     1
 OR {  777}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 94   and name HG1 ))
 ASSI {  778}
   (( segid " 1SG" and resid 75   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
      3.500     1.500     1.500 peak   778 spectrum    1 weight  0.10000E+01 volume  0.13450E-02 ppm1      9.152 ppm2      0.609 CV     1
 OR {  778}
   (( segid " 1SG" and resid 75   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI {  779}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 49   and name HA  ))
      2.900     1.100     1.100 peak   779 spectrum    1 weight  0.10000E+01 volume  0.13424E-02 ppm1      9.288 ppm2      3.859 CV     1
 ASSI {  783}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 56   and name HB2 ))
      3.600     1.700     1.700 peak   783 spectrum    1 weight  0.10000E+01 volume  0.13394E-02 ppm1      7.198 ppm2      3.101 CV     1
 ASSI {  789}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 2    and name HB2 ))
      4.300     2.400     1.700 peak   789 spectrum    1 weight  0.10000E+01 volume  0.13269E-02 ppm1      7.545 ppm2      2.672 CV     1
 ASSI {  790}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 104  and name HA  ))
      3.100     1.200     1.200 peak   790 spectrum    1 weight  0.10000E+01 volume  0.13251E-02 ppm1      8.792 ppm2      5.431 CV     1
 ASSI {  791}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 53   and name HN  ))
      3.700     1.700     1.700 peak   791 spectrum    1 weight  0.10000E+01 volume  0.13240E-02 ppm1      9.018 ppm2      6.764 CV     1
 ASSI {  792}
   (( segid " 1SG" and resid 104  and name HN  ))
   (  segid " 1SG" and resid 87   and name HE% )
      3.800     1.800     1.800 peak   792 spectrum    1 weight  0.10000E+01 volume  0.13228E-02 ppm1      8.791 ppm2      6.590 CV     1
 ASSI {  794}
   (( segid " 1SG" and resid 84   and name HN  ))
   (( segid " 1SG" and resid 85   and name HN  ))
      3.200     1.300     1.300 peak   794 spectrum    1 weight  0.10000E+01 volume  0.13196E-02 ppm1      7.865 ppm2      9.407 CV     1
 ASSI {  799}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (  segid " 1SG" and resid 39   and name HG2%)
      3.700     1.700     1.700 peak   799 spectrum    1 weight  0.10000E+01 volume  0.13071E-02 ppm1     10.779 ppm2     -0.462 CV     1
 ASSI {  802}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 103  and name HA  ))
      3.100     1.200     1.200 peak   802 spectrum    1 weight  0.10000E+01 volume  0.12996E-02 ppm1      9.242 ppm2      5.536 CV     1
 ASSI {  803}
   (( segid " 1SG" and resid 8    and name HN  ))
   (( segid " 1SG" and resid 8    and name HA  ))
      3.300     1.400     1.400 peak   803 spectrum    1 weight  0.10000E+01 volume  0.12929E-02 ppm1      9.052 ppm2      4.174 CV     1
 ASSI {  807}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 57   and name HG  ))
      4.000     2.000     2.000 peak   807 spectrum    1 weight  0.10000E+01 volume  0.12816E-02 ppm1      8.941 ppm2      0.750 CV     1
 ASSI {  808}
   (( segid " 1SG" and resid 80   and name HE22))
   (  segid " 1SG" and resid 18   and name HG1%)
      5.500     3.800     0.500 peak   808 spectrum    1 weight  0.10000E+01 volume  0.12810E-02 ppm1      6.644 ppm2      0.986 CV     1
 ASSI {  810}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 59   and name HA  ))
      3.800     1.800     1.800 peak   810 spectrum    1 weight  0.10000E+01 volume  0.12748E-02 ppm1      9.150 ppm2      5.181 CV     1
 ASSI {  811}
   (( segid " 1SG" and resid 93   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.100     1.200     1.200 peak   811 spectrum    1 weight  0.10000E+01 volume  0.12734E-02 ppm1      8.558 ppm2      0.475 CV     1
 ASSI {  812}
   (( segid " 1SG" and resid 19   and name HN  ))
   (( segid " 1SG" and resid 78   and name HA  ))
      3.100     1.200     1.200 peak   812 spectrum    1 weight  0.10000E+01 volume  0.12727E-02 ppm1      9.829 ppm2      4.106 CV     1
 ASSI {  813}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 38   and name HB  ))
      3.300     1.400     1.400 peak   813 spectrum    1 weight  0.10000E+01 volume  0.12711E-02 ppm1      8.735 ppm2      1.891 CV     1
 ASSI {  814}
   (( segid " 1SG" and resid 43   and name HN  ))
   (  segid " 1SG" and resid 49   and name HD1%)
      3.300     1.400     1.400 peak   814 spectrum    1 weight  0.10000E+01 volume  0.12708E-02 ppm1      8.631 ppm2      1.759 CV     1
 ASSI {  815}
   (( segid " 1SG" and resid 6    and name HN  ))
   (( segid " 1SG" and resid 5    and name HA2 ))
      3.300     1.400     1.400 peak   815 spectrum    1 weight  0.10000E+01 volume  0.12695E-02 ppm1      8.450 ppm2      3.861 CV     1
 OR {  815}
   (( segid " 1SG" and resid 6    and name HN  ))
   (( segid " 1SG" and resid 5    and name HA1 ))
 ASSI {  816}
   (( segid " 1SG" and resid 26   and name HN  ))
   (( segid " 1SG" and resid 72   and name HN  ))
      3.300     1.400     1.400 peak   816 spectrum    1 weight  0.10000E+01 volume  0.12677E-02 ppm1      9.497 ppm2      9.294 CV     1
 ASSI {  817}
   (( segid " 1SG" and resid 46   and name HN  ))
   (( segid " 1SG" and resid 45   and name HA  ))
      3.300     1.400     1.400 peak   817 spectrum    1 weight  0.10000E+01 volume  0.12675E-02 ppm1      8.215 ppm2      3.494 CV     1
 ASSI {  819}
   (( segid " 1SG" and resid 47   and name HN  ))
   (  segid " 1SG" and resid 42   and name HD% )
      3.600     1.600     1.600 peak   819 spectrum    1 weight  0.10000E+01 volume  0.12653E-02 ppm1      7.293 ppm2      6.695 CV     1
 ASSI {  821}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 76   and name HA  ))
      3.800     1.800     1.800 peak   821 spectrum    1 weight  0.10000E+01 volume  0.12554E-02 ppm1      8.940 ppm2      4.983 CV     1
 ASSI {  822}
   (( segid " 1SG" and resid 29   and name HN  ))
   (( segid " 1SG" and resid 7    and name HA  ))
      4.000     2.000     2.000 peak   822 spectrum    1 weight  0.10000E+01 volume  0.12535E-02 ppm1      8.855 ppm2      4.626 CV     1
 ASSI {  823}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 74   and name HN  ))
      3.400     1.400     1.400 peak   823 spectrum    1 weight  0.10000E+01 volume  0.12532E-02 ppm1      9.240 ppm2      8.469 CV     1
 ASSI {  825}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 40   and name HG2 ))
      4.700     2.700     1.300 peak   825 spectrum    1 weight  0.10000E+01 volume  0.12518E-02 ppm1      9.308 ppm2      1.241 CV     1
 OR {  825}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 40   and name HG1 ))
 ASSI {  826}
   (( segid " 1SG" and resid 64   and name HN  ))
   (  segid " 1SG" and resid 69   and name HG2%)
      4.000     2.000     2.000 peak   826 spectrum    1 weight  0.10000E+01 volume  0.12508E-02 ppm1      7.752 ppm2      0.845 CV     1
 OR {  826}
   (( segid " 1SG" and resid 64   and name HN  ))
   (  segid " 1SG" and resid 69   and name HG1%)
 ASSI {  827}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 9    and name HN  ))
      3.400     1.400     1.400 peak   827 spectrum    1 weight  0.10000E+01 volume  0.12496E-02 ppm1      8.888 ppm2      7.891 CV     1
 ASSI {  828}
   (( segid " 1SG" and resid 58   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD1%)
      4.300     2.300     1.700 peak   828 spectrum    1 weight  0.10000E+01 volume  0.12480E-02 ppm1      8.945 ppm2      0.402 CV     1
 OR {  828}
   (( segid " 1SG" and resid 58   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD2%)
 ASSI {  829}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 42   and name HA  ))
      3.400     1.400     1.400 peak   829 spectrum    1 weight  0.10000E+01 volume  0.12468E-02 ppm1      9.289 ppm2      5.784 CV     1
 ASSI {  830}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 78   and name HB2 ))
      4.200     2.200     1.800 peak   830 spectrum    1 weight  0.10000E+01 volume  0.12435E-02 ppm1      8.973 ppm2      2.375 CV     1
 ASSI {  831}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB1 ))
      4.600     2.600     1.400 peak   831 spectrum    1 weight  0.10000E+01 volume  0.12434E-02 ppm1      8.941 ppm2      1.687 CV     1
 OR {  831}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB2 ))
 ASSI {  832}
   (( segid " 1SG" and resid 70   and name HN  ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      3.000     1.100     1.100 peak   832 spectrum    1 weight  0.10000E+01 volume  0.12424E-02 ppm1      9.273 ppm2      2.816 CV     1
 ASSI {  833}
   (( segid " 1SG" and resid 87   and name HN  ))
   (( segid " 1SG" and resid 87   and name HB2 ))
      3.100     1.200     1.200 peak   833 spectrum    1 weight  0.10000E+01 volume  0.12394E-02 ppm1      9.112 ppm2      0.700 CV     1
 ASSI {  838}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 64   and name HB2 ))
      4.200     2.200     1.800 peak   838 spectrum    1 weight  0.10000E+01 volume  0.12329E-02 ppm1      8.307 ppm2      2.338 CV     1
 ASSI {  839}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 90   and name HN  ))
      3.300     1.300     1.300 peak   839 spectrum    1 weight  0.10000E+01 volume  0.12315E-02 ppm1      8.694 ppm2      9.477 CV     1
 ASSI {  840}
   (( segid " 1SG" and resid 92   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG2%)
      4.300     2.300     1.700 peak   840 spectrum    1 weight  0.10000E+01 volume  0.12304E-02 ppm1      8.735 ppm2     -0.459 CV     1
 ASSI {  843}
   (( segid " 1SG" and resid 7    and name HN  ))
   (( segid " 1SG" and resid 7    and name HB2 ))
      3.100     1.200     1.200 peak   843 spectrum    1 weight  0.10000E+01 volume  0.12254E-02 ppm1      8.878 ppm2      2.581 CV     1
 ASSI {  844}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 69   and name HN  ))
      4.200     2.200     1.800 peak   844 spectrum    1 weight  0.10000E+01 volume  0.12239E-02 ppm1      7.422 ppm2      6.897 CV     1
 ASSI {  847}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 4    and name HN  ))
      3.800     1.800     1.800 peak   847 spectrum    1 weight  0.10000E+01 volume  0.12186E-02 ppm1      8.112 ppm2      8.269 CV     1
 ASSI {  848}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 39   and name HB  ))
      3.700     1.700     1.700 peak   848 spectrum    1 weight  0.10000E+01 volume  0.12153E-02 ppm1      8.696 ppm2      0.582 CV     1
 ASSI {  852}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 71   and name HA  ))
      3.000     1.100     1.100 peak   852 spectrum    1 weight  0.10000E+01 volume  0.12048E-02 ppm1      8.722 ppm2      5.068 CV     1
 ASSI {  853}
   (( segid " 1SG" and resid 31   and name HN  ))
   (( segid " 1SG" and resid 30   and name HN  ))
      3.100     1.200     1.200 peak   853 spectrum    1 weight  0.10000E+01 volume  0.12045E-02 ppm1      8.414 ppm2      8.590 CV     1
 ASSI {  854}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 80   and name HN  ))
      4.300     2.300     1.700 peak   854 spectrum    1 weight  0.10000E+01 volume  0.12036E-02 ppm1      8.971 ppm2      5.576 CV     1
 ASSI {  859}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 41   and name HA  ))
      3.200     1.300     1.300 peak   859 spectrum    1 weight  0.10000E+01 volume  0.11942E-02 ppm1      9.309 ppm2      5.470 CV     1
 ASSI {  860}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 73   and name HB2 ))
      3.400     1.400     1.400 peak   860 spectrum    1 weight  0.10000E+01 volume  0.11915E-02 ppm1      9.449 ppm2      1.556 CV     1
 ASSI {  861}
   (( segid " 1SG" and resid 20   and name HN  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      2.600     2.600     3.400 peak   861 spectrum    1 weight  0.10000E+01 volume  0.11902E-02 ppm1      8.825 ppm2      1.280 CV     1
 ASSI {  863}
   (( segid " 1SG" and resid 16   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      4.100     2.100     1.900 peak   863 spectrum    1 weight  0.10000E+01 volume  0.11882E-02 ppm1      8.593 ppm2      0.375 CV     1
 ASSI {  864}
   (( segid " 1SG" and resid 26   and name HN  ))
   (( segid " 1SG" and resid 73   and name HA  ))
      3.500     1.500     1.500 peak   864 spectrum    1 weight  0.10000E+01 volume  0.11856E-02 ppm1      9.497 ppm2      5.471 CV     1
 ASSI {  865}
   (( segid " 1SG" and resid 46   and name HN  ))
   (  segid " 1SG" and resid 47   and name HG1%)
      4.700     2.800     1.300 peak   865 spectrum    1 weight  0.10000E+01 volume  0.11851E-02 ppm1      8.216 ppm2      0.967 CV     1
 ASSI {  866}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 46   and name HA  ))
      3.600     1.600     1.600 peak   866 spectrum    1 weight  0.10000E+01 volume  0.11834E-02 ppm1      7.291 ppm2      4.989 CV     1
 ASSI {  872}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 52   and name HB2 ))
      2.600     0.800     0.800 peak   872 spectrum    1 weight  0.10000E+01 volume  0.11768E-02 ppm1      6.764 ppm2      1.716 CV     1
 ASSI {  873}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 76   and name HG12))
      4.200     2.200     1.800 peak   873 spectrum    1 weight  0.10000E+01 volume  0.11757E-02 ppm1      7.198 ppm2      1.092 CV     1
 ASSI {  874}
   (( segid " 1SG" and resid 71   and name HN  ))
   (  segid " 1SG" and resid 63   and name HD% )
      2.600     2.600     3.400 peak   874 spectrum    1 weight  0.10000E+01 volume  0.11728E-02 ppm1      8.724 ppm2      5.900 CV     1
 ASSI {  875}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 104  and name HB2 ))
      3.800     1.800     1.800 peak   875 spectrum    1 weight  0.10000E+01 volume  0.11721E-02 ppm1      8.793 ppm2      1.229 CV     1
 ASSI {  877}
   (( segid " 1SG" and resid 24   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD2%)
      4.500     2.500     1.500 peak   877 spectrum    1 weight  0.10000E+01 volume  0.11691E-02 ppm1      9.239 ppm2      0.410 CV     1
 OR {  877}
   (( segid " 1SG" and resid 24   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI {  879}
   (( segid " 1SG" and resid 96   and name HN  ))
   (  segid " 1SG" and resid 93   and name HG2%)
      2.600     2.600     3.400 peak   879 spectrum    1 weight  0.10000E+01 volume  0.11658E-02 ppm1      7.548 ppm2      1.025 CV     1
 ASSI {  880}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 78   and name HA  ))
      3.400     1.400     1.400 peak   880 spectrum    1 weight  0.10000E+01 volume  0.11649E-02 ppm1      8.826 ppm2      4.088 CV     1
 ASSI {  881}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 41   and name HB2 ))
      2.800     1.000     1.000 peak   881 spectrum    1 weight  0.10000E+01 volume  0.11640E-02 ppm1      9.312 ppm2      3.155 CV     1
 ASSI {  885}
   (( segid " 1SG" and resid 86   and name HN  ))
   (( segid " 1SG" and resid 87   and name HN  ))
      3.300     1.300     1.300 peak   885 spectrum    1 weight  0.10000E+01 volume  0.11572E-02 ppm1      7.947 ppm2      9.112 CV     1
 ASSI {  886}
   (( segid " 1SG" and resid 24   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
      4.900     3.000     1.100 peak   886 spectrum    1 weight  0.10000E+01 volume  0.11565E-02 ppm1      9.239 ppm2      0.619 CV     1
 OR {  886}
   (( segid " 1SG" and resid 24   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI {  888}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 105  and name HA  ))
      3.200     1.300     1.300 peak   888 spectrum    1 weight  0.10000E+01 volume  0.11545E-02 ppm1      8.397 ppm2      4.536 CV     1
 ASSI {  889}
   (( segid " 1SG" and resid 58   and name HE22))
   (  segid " 1SG" and resid 77   and name HG2%)
      3.500     1.500     1.500 peak   889 spectrum    1 weight  0.10000E+01 volume  0.11510E-02 ppm1      6.684 ppm2      1.034 CV     1
 ASSI {  890}
   (( segid " 1SG" and resid 58   and name HN  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      4.200     2.200     1.800 peak   890 spectrum    1 weight  0.10000E+01 volume  0.11501E-02 ppm1      8.939 ppm2      1.056 CV     1
 ASSI {  891}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 38   and name HN  ))
      3.900     1.900     1.900 peak   891 spectrum    1 weight  0.10000E+01 volume  0.11488E-02 ppm1      7.893 ppm2      8.374 CV     1
 ASSI {  892}
   (( segid " 1SG" and resid 14   and name HN  ))
   (  segid " 1SG" and resid 22   and name HD1%)
      4.200     2.200     1.800 peak   892 spectrum    1 weight  0.10000E+01 volume  0.11483E-02 ppm1      9.186 ppm2      0.528 CV     1
 ASSI {  894}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 28   and name HA  ))
      3.200     1.300     1.300 peak   894 spectrum    1 weight  0.10000E+01 volume  0.11453E-02 ppm1      9.673 ppm2      4.901 CV     1
 ASSI {  896}
   (( segid " 1SG" and resid 98   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.600     1.600     1.600 peak   896 spectrum    1 weight  0.10000E+01 volume  0.11448E-02 ppm1      8.417 ppm2      0.476 CV     1
 ASSI {  897}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 45   and name HA  ))
      4.500     2.500     1.500 peak   897 spectrum    1 weight  0.10000E+01 volume  0.11444E-02 ppm1      7.291 ppm2      3.498 CV     1
 ASSI {  899}
   (( segid " 1SG" and resid 80   and name HE21))
   (  segid " 1SG" and resid 18   and name HG1%)
      4.900     3.000     1.100 peak   899 spectrum    1 weight  0.10000E+01 volume  0.11432E-02 ppm1      6.984 ppm2      0.990 CV     1
 ASSI {  900}
   (( segid " 1SG" and resid 85   and name HN  ))
   (  segid " 1SG" and resid 87   and name HE% )
      4.100     2.100     1.900 peak   900 spectrum    1 weight  0.10000E+01 volume  0.11425E-02 ppm1      9.408 ppm2      6.590 CV     1
 ASSI {  902}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 14   and name HN  ))
      3.900     1.900     1.900 peak   902 spectrum    1 weight  0.10000E+01 volume  0.11414E-02 ppm1      8.503 ppm2      9.185 CV     1
 ASSI {  905}
   (( segid " 1SG" and resid 8    and name HN  ))
   (( segid " 1SG" and resid 28   and name HA  ))
      3.300     1.400     1.400 peak   905 spectrum    1 weight  0.10000E+01 volume  0.11380E-02 ppm1      9.051 ppm2      4.900 CV     1
 ASSI {  906}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 61   and name HN  ))
      4.000     2.000     2.000 peak   906 spectrum    1 weight  0.10000E+01 volume  0.11367E-02 ppm1      8.846 ppm2      8.182 CV     1
 ASSI {  911}
   (( segid " 1SG" and resid 7    and name HN  ))
   (( segid " 1SG" and resid 7    and name HA  ))
      3.500     1.500     1.500 peak   911 spectrum    1 weight  0.10000E+01 volume  0.11283E-02 ppm1      8.874 ppm2      4.632 CV     1
 ASSI {  913}
   (( segid " 1SG" and resid 100  and name HN  ))
   (( segid " 1SG" and resid 90   and name HB2 ))
      2.600     2.600     3.400 peak   913 spectrum    1 weight  0.10000E+01 volume  0.11249E-02 ppm1      8.888 ppm2      2.040 CV     1
 ASSI {  914}
   (( segid " 1SG" and resid 100  and name HN  ))
   (( segid " 1SG" and resid 99   and name HB2 ))
      3.500     1.600     1.600 peak   914 spectrum    1 weight  0.10000E+01 volume  0.11222E-02 ppm1      8.896 ppm2      2.735 CV     1
 ASSI {  915}
   (( segid " 1SG" and resid 68   and name HN  ))
   (( segid " 1SG" and resid 67   and name HB1 ))
      3.800     1.800     1.800 peak   915 spectrum    1 weight  0.10000E+01 volume  0.11192E-02 ppm1      7.872 ppm2      3.727 CV     1
 OR {  915}
   (( segid " 1SG" and resid 68   and name HN  ))
   (( segid " 1SG" and resid 67   and name HB2 ))
 ASSI {  916}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 36   and name HD2 ))
      4.300     2.300     1.700 peak   916 spectrum    1 weight  0.10000E+01 volume  0.11175E-02 ppm1      7.511 ppm2      3.495 CV     1
 ASSI {  919}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 103  and name HD22))
      3.500     1.600     1.600 peak   919 spectrum    1 weight  0.10000E+01 volume  0.11136E-02 ppm1      9.241 ppm2      6.759 CV     1
 ASSI {  920}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 16   and name HN  ))
      4.000     2.000     2.000 peak   920 spectrum    1 weight  0.10000E+01 volume  0.11134E-02 ppm1      8.401 ppm2      8.591 CV     1
 ASSI {  922}
   (( segid " 1SG" and resid 84   and name HN  ))
   (( segid " 1SG" and resid 106  and name HB  ))
      4.300     2.300     1.700 peak   922 spectrum    1 weight  0.10000E+01 volume  0.11107E-02 ppm1      7.867 ppm2      1.848 CV     1
 ASSI {  929}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 62   and name HB2 ))
      3.100     1.200     1.200 peak   929 spectrum    1 weight  0.10000E+01 volume  0.11041E-02 ppm1      8.847 ppm2      3.809 CV     1
 ASSI {  930}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 43   and name HN  ))
      3.400     1.400     1.400 peak   930 spectrum    1 weight  0.10000E+01 volume  0.11031E-02 ppm1      7.291 ppm2      8.632 CV     1
 ASSI {  931}
   (( segid " 1SG" and resid 59   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
      3.500     1.500     1.500 peak   931 spectrum    1 weight  0.10000E+01 volume  0.11028E-02 ppm1      8.380 ppm2      0.601 CV     1
 OR {  931}
   (( segid " 1SG" and resid 59   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI {  939}
   (( segid " 1SG" and resid 84   and name HN  ))
   (( segid " 1SG" and resid 81   and name HA  ))
      5.200     3.400     0.800 peak   939 spectrum    1 weight  0.10000E+01 volume  0.10942E-02 ppm1      7.866 ppm2      3.996 CV     1
 ASSI {  940}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 96   and name HG1 ))
      3.100     1.200     1.200 peak   940 spectrum    1 weight  0.10000E+01 volume  0.10941E-02 ppm1      8.106 ppm2      1.324 CV     1
 OR {  940}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 96   and name HG2 ))
 ASSI {  941}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 25   and name HA  ))
      3.600     1.700     1.700 peak   941 spectrum    1 weight  0.10000E+01 volume  0.10932E-02 ppm1      8.472 ppm2      5.686 CV     1
 ASSI {  943}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 43   and name HG2 ))
      3.100     1.200     1.200 peak   943 spectrum    1 weight  0.10000E+01 volume  0.10869E-02 ppm1      8.211 ppm2      0.071 CV     1
 ASSI {  944}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 59   and name HN  ))
      3.600     1.600     1.600 peak   944 spectrum    1 weight  0.10000E+01 volume  0.10805E-02 ppm1      8.685 ppm2      8.389 CV     1
 ASSI {  946}
   (( segid " 1SG" and resid 90   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG2%)
      4.500     2.500     1.500 peak   946 spectrum    1 weight  0.10000E+01 volume  0.10735E-02 ppm1      9.489 ppm2     -0.473 CV     1
 ASSI {  947}
   (( segid " 1SG" and resid 23   and name HN  ))
   (( segid " 1SG" and resid 22   and name HN  ))
      3.900     1.900     1.900 peak   947 spectrum    1 weight  0.10000E+01 volume  0.10711E-02 ppm1      7.911 ppm2      8.899 CV     1
 ASSI {  951}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 73   and name HB2 ))
      3.900     1.900     1.900 peak   951 spectrum    1 weight  0.10000E+01 volume  0.10652E-02 ppm1      8.467 ppm2      1.552 CV     1
 ASSI {  952}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 72   and name HB2 ))
      4.300     2.300     1.700 peak   952 spectrum    1 weight  0.10000E+01 volume  0.10639E-02 ppm1      8.896 ppm2      2.884 CV     1
 ASSI {  953}
   (( segid " 1SG" and resid 82   and name HN  ))
   (( segid " 1SG" and resid 82   and name HA  ))
      3.500     1.500     1.500 peak   953 spectrum    1 weight  0.10000E+01 volume  0.10634E-02 ppm1      8.017 ppm2      4.202 CV     1
 ASSI {  955}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 91   and name HB  ))
      4.100     2.100     1.900 peak   955 spectrum    1 weight  0.10000E+01 volume  0.10622E-02 ppm1      8.733 ppm2      1.128 CV     1
 ASSI {  958}
   (( segid " 1SG" and resid 18   and name HN  ))
   (( segid " 1SG" and resid 19   and name HN  ))
      4.000     2.000     2.000 peak   958 spectrum    1 weight  0.10000E+01 volume  0.10560E-02 ppm1      8.005 ppm2      9.828 CV     1
 ASSI {  963}
   (( segid " 1SG" and resid 72   and name HN  ))
   (( segid " 1SG" and resid 72   and name HA  ))
      3.000     1.100     1.100 peak   963 spectrum    1 weight  0.10000E+01 volume  0.10508E-02 ppm1      9.295 ppm2      5.368 CV     1
 ASSI {  964}
   (( segid " 1SG" and resid 87   and name HN  ))
   (( segid " 1SG" and resid 87   and name HA  ))
      3.300     1.400     1.400 peak   964 spectrum    1 weight  0.10000E+01 volume  0.10493E-02 ppm1      9.110 ppm2      4.975 CV     1
 ASSI {  967}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 17   and name HN  ))
      4.100     2.100     1.900 peak   967 spectrum    1 weight  0.10000E+01 volume  0.10453E-02 ppm1      8.592 ppm2      7.900 CV     1
 ASSI {  968}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 40   and name HN  ))
      3.800     1.800     1.800 peak   968 spectrum    1 weight  0.10000E+01 volume  0.10426E-02 ppm1      7.893 ppm2      8.706 CV     1
 ASSI {  971}
   (( segid " 1SG" and resid 33   and name HN  ))
   (  segid " 1SG" and resid 33   and name HD2%)
      3.500     1.500     1.500 peak   971 spectrum    1 weight  0.10000E+01 volume  0.10394E-02 ppm1      7.611 ppm2      0.876 CV     1
 OR {  971}
   (( segid " 1SG" and resid 33   and name HN  ))
   (  segid " 1SG" and resid 33   and name HD1%)
 ASSI {  972}
   (( segid " 1SG" and resid 72   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD2%)
      4.700     2.700     1.300 peak   972 spectrum    1 weight  0.10000E+01 volume  0.10391E-02 ppm1      9.295 ppm2      0.738 CV     1
 ASSI {  973}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 104  and name HG  ))
      3.400     1.500     1.500 peak   973 spectrum    1 weight  0.10000E+01 volume  0.10387E-02 ppm1      8.401 ppm2      1.329 CV     1
 ASSI {  975}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 42   and name HN  ))
      3.200     1.300     1.300 peak   975 spectrum    1 weight  0.10000E+01 volume  0.10362E-02 ppm1      9.108 ppm2      9.450 CV     1
 ASSI {  976}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 74   and name HB2 ))
      4.000     2.000     2.000 peak   976 spectrum    1 weight  0.10000E+01 volume  0.10344E-02 ppm1      9.150 ppm2     -0.838 CV     1
 ASSI {  977}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 87   and name HB2 ))
      3.900     1.900     1.900 peak   977 spectrum    1 weight  0.10000E+01 volume  0.10290E-02 ppm1      9.107 ppm2      0.710 CV     1
 ASSI {  979}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 46   and name HB2 ))
      3.900     1.900     1.900 peak   979 spectrum    1 weight  0.10000E+01 volume  0.10241E-02 ppm1      7.292 ppm2      3.055 CV     1
 ASSI {  980}
   (( segid " 1SG" and resid 10   and name HN  ))
   (( segid " 1SG" and resid 9    and name HG2 ))
      4.100     2.100     1.900 peak   980 spectrum    1 weight  0.10000E+01 volume  0.10239E-02 ppm1      8.851 ppm2      2.507 CV     1
 ASSI {  984}
   (( segid " 1SG" and resid 107  and name HN  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      4.600     2.700     1.400 peak   984 spectrum    1 weight  0.10000E+01 volume  0.10161E-02 ppm1      8.820 ppm2      1.285 CV     1
 ASSI {  990}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 77   and name HN  ))
      4.100     2.100     1.900 peak   990 spectrum    1 weight  0.10000E+01 volume  0.10090E-02 ppm1      8.053 ppm2      8.718 CV     1
 ASSI {  991}
   (( segid " 1SG" and resid 97   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.900     1.900     1.900 peak   991 spectrum    1 weight  0.10000E+01 volume  0.10086E-02 ppm1      8.063 ppm2      0.474 CV     1
 ASSI {  992}
   (( segid " 1SG" and resid 90   and name HN  ))
   (( segid " 1SG" and resid 90   and name HB2 ))
      3.400     1.400     1.400 peak   992 spectrum    1 weight  0.10000E+01 volume  0.10082E-02 ppm1      9.489 ppm2      2.034 CV     1
 ASSI {  994}
   (( segid " 1SG" and resid 22   and name HN  ))
   (  segid " 1SG" and resid 77   and name HG2%)
      3.900     1.900     1.900 peak   994 spectrum    1 weight  0.10000E+01 volume  0.10055E-02 ppm1      8.888 ppm2      1.018 CV     1
 ASSI {  996}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 43   and name HB2 ))
      3.400     1.400     1.400 peak   996 spectrum    1 weight  0.10000E+01 volume  0.10039E-02 ppm1      8.628 ppm2      1.216 CV     1
 ASSI {  997}
   (( segid " 1SG" and resid 20   and name HN  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      3.500     1.600     1.600 peak   997 spectrum    1 weight  0.10000E+01 volume  0.10028E-02 ppm1      8.825 ppm2      0.602 CV     1
 ASSI {  998}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 18   and name HA  ))
      3.900     1.900     1.900 peak   998 spectrum    1 weight  0.10000E+01 volume  0.99574E-03 ppm1      8.973 ppm2      3.481 CV     1
 ASSI { 1001}
   (( segid " 1SG" and resid 28   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG2%)
      4.200     2.200     1.800 peak  1001 spectrum    1 weight  0.10000E+01 volume  0.99222E-03 ppm1      9.673 ppm2      0.941 CV     1
 OR { 1001}
   (( segid " 1SG" and resid 28   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG1%)
 ASSI { 1002}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 2    and name HA  ))
      3.800     1.800     1.800 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.99071E-03 ppm1      8.264 ppm2      4.901 CV     1
 ASSI { 1003}
   (( segid " 1SG" and resid 105  and name HN  ))
   (  segid " 1SG" and resid 104  and name HD2%)
      4.400     2.400     1.600 peak  1003 spectrum    1 weight  0.10000E+01 volume  0.98285E-03 ppm1      8.399 ppm2      0.818 CV     1
 ASSI { 1004}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 57   and name HG  ))
      3.900     1.900     1.900 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.98212E-03 ppm1      6.764 ppm2      0.753 CV     1
 ASSI { 1008}
   (( segid " 1SG" and resid 78   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      4.300     2.400     1.700 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.97925E-03 ppm1      8.053 ppm2      1.176 CV     1
 ASSI { 1009}
   (( segid " 1SG" and resid 27   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG2%)
      4.700     2.800     1.300 peak  1009 spectrum    1 weight  0.10000E+01 volume  0.97910E-03 ppm1      8.893 ppm2      0.948 CV     1
 OR { 1009}
   (( segid " 1SG" and resid 27   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG1%)
 ASSI { 1010}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 61   and name HN  ))
      4.600     2.600     1.400 peak  1010 spectrum    1 weight  0.10000E+01 volume  0.97898E-03 ppm1      8.686 ppm2      8.184 CV     1
 ASSI { 1013}
   (( segid " 1SG" and resid 46   and name HN  ))
   (( segid " 1SG" and resid 46   and name HA  ))
      3.400     1.400     1.400 peak  1013 spectrum    1 weight  0.10000E+01 volume  0.97681E-03 ppm1      8.217 ppm2      4.976 CV     1
 ASSI { 1014}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 21   and name HN  ))
      4.000     2.000     2.000 peak  1014 spectrum    1 weight  0.10000E+01 volume  0.97627E-03 ppm1      8.891 ppm2      8.169 CV     1
 ASSI { 1015}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 74   and name HA  ))
      3.200     1.300     1.300 peak  1015 spectrum    1 weight  0.10000E+01 volume  0.97569E-03 ppm1      8.470 ppm2      4.333 CV     1
 ASSI { 1016}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (  segid " 1SG" and resid 47   and name HG1%)
      3.900     1.900     1.900 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.97418E-03 ppm1     10.115 ppm2      0.962 CV     1
 ASSI { 1017}
   (( segid " 1SG" and resid 38   and name HN  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      3.500     1.500     1.500 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.97093E-03 ppm1      8.375 ppm2      0.173 CV     1
 ASSI { 1018}
   (( segid " 1SG" and resid 98   and name HN  ))
   (  segid " 1SG" and resid 97   and name HD% )
      3.500     1.500     1.500 peak  1018 spectrum    1 weight  0.10000E+01 volume  0.96880E-03 ppm1      8.417 ppm2      7.087 CV     1
 ASSI { 1019}
   (( segid " 1SG" and resid 104  and name HN  ))
   (  segid " 1SG" and resid 104  and name HD2%)
      4.300     2.300     1.700 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.96590E-03 ppm1      8.795 ppm2      0.813 CV     1
 ASSI { 1020}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 57   and name HN  ))
      3.300     1.400     1.400 peak  1020 spectrum    1 weight  0.10000E+01 volume  0.96528E-03 ppm1      7.433 ppm2      7.207 CV     1
 ASSI { 1022}
   (( segid " 1SG" and resid 101  and name HN  ))
   (( segid " 1SG" and resid 101  and name HB2 ))
      4.200     2.200     1.800 peak  1022 spectrum    1 weight  0.10000E+01 volume  0.96342E-03 ppm1      9.044 ppm2      2.699 CV     1
 ASSI { 1023}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 58   and name HN  ))
      4.000     2.000     2.000 peak  1023 spectrum    1 weight  0.10000E+01 volume  0.96288E-03 ppm1      8.380 ppm2      8.945 CV     1
 ASSI { 1026}
   (( segid " 1SG" and resid 91   and name HN  ))
   (( segid " 1SG" and resid 99   and name HA  ))
      4.000     2.000     2.000 peak  1026 spectrum    1 weight  0.10000E+01 volume  0.95820E-03 ppm1      8.474 ppm2      5.702 CV     1
 ASSI { 1027}
   (( segid " 1SG" and resid 18   and name HN  ))
   (( segid " 1SG" and resid 107  and name HB1 ))
      4.300     2.400     1.700 peak  1027 spectrum    1 weight  0.10000E+01 volume  0.95758E-03 ppm1      8.006 ppm2      3.075 CV     1
 OR { 1027}
   (( segid " 1SG" and resid 18   and name HN  ))
   (( segid " 1SG" and resid 107  and name HB2 ))
 ASSI { 1028}
   (( segid " 1SG" and resid 12   and name HN  ))
   (( segid " 1SG" and resid 11   and name HB2 ))
      3.500     1.600     1.600 peak  1028 spectrum    1 weight  0.10000E+01 volume  0.95572E-03 ppm1      8.345 ppm2      0.920 CV     1
 ASSI { 1029}
   (( segid " 1SG" and resid 42   and name HN  ))
   (( segid " 1SG" and resid 42   and name HB2 ))
      3.500     1.500     1.500 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.95564E-03 ppm1      9.448 ppm2      2.466 CV     1
 ASSI { 1031}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 70   and name HN  ))
      4.000     2.000     2.000 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.95425E-03 ppm1      6.898 ppm2      9.268 CV     1
 ASSI { 1035}
   (( segid " 1SG" and resid 84   and name HN  ))
   (( segid " 1SG" and resid 106  and name HN  ))
      4.000     2.000     2.000 peak  1035 spectrum    1 weight  0.10000E+01 volume  0.94864E-03 ppm1      7.865 ppm2      8.160 CV     1
 ASSI { 1036}
   (( segid " 1SG" and resid 51   and name HN  ))
   (( segid " 1SG" and resid 49   and name HA  ))
      3.800     1.800     1.800 peak  1036 spectrum    1 weight  0.10000E+01 volume  0.94581E-03 ppm1      7.877 ppm2      3.864 CV     1
 ASSI { 1039}
   (( segid " 1SG" and resid 65   and name HN  ))
   (  segid " 1SG" and resid 66   and name HB% )
      4.700     2.700     1.300 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.94163E-03 ppm1      8.306 ppm2      1.408 CV     1
 ASSI { 1040}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      4.200     2.200     1.800 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.94090E-03 ppm1      8.721 ppm2      2.808 CV     1
 ASSI { 1041}
   (( segid " 1SG" and resid 70   and name HN  ))
   (( segid " 1SG" and resid 69   and name HB  ))
      4.000     2.000     2.000 peak  1041 spectrum    1 weight  0.10000E+01 volume  0.93803E-03 ppm1      9.274 ppm2      1.751 CV     1
 ASSI { 1042}
   (( segid " 1SG" and resid 84   and name HN  ))
   (( segid " 1SG" and resid 83   and name HB2 ))
      3.700     1.700     1.700 peak  1042 spectrum    1 weight  0.10000E+01 volume  0.93761E-03 ppm1      7.868 ppm2      3.172 CV     1
 ASSI { 1045}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 81   and name HA  ))
      3.900     1.900     1.900 peak  1045 spectrum    1 weight  0.10000E+01 volume  0.93126E-03 ppm1      8.255 ppm2      3.992 CV     1
 ASSI { 1046}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 99   and name HA  ))
      3.500     1.500     1.500 peak  1046 spectrum    1 weight  0.10000E+01 volume  0.92774E-03 ppm1      9.230 ppm2      5.702 CV     1
 ASSI { 1047}
   (( segid " 1SG" and resid 84   and name HN  ))
   (  segid " 1SG" and resid 104  and name HD2%)
      3.900     1.900     1.900 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.92743E-03 ppm1      7.867 ppm2      0.812 CV     1
 ASSI { 1049}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 54   and name HN  ))
      3.600     1.600     1.600 peak  1049 spectrum    1 weight  0.10000E+01 volume  0.92457E-03 ppm1      7.434 ppm2      9.012 CV     1
 ASSI { 1051}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 19   and name HA1 ))
      4.800     2.900     1.200 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.92259E-03 ppm1      8.051 ppm2      4.254 CV     1
 ASSI { 1052}
   (( segid " 1SG" and resid 46   and name HN  ))
   (( segid " 1SG" and resid 46   and name HB2 ))
      4.000     2.000     2.000 peak  1052 spectrum    1 weight  0.10000E+01 volume  0.92108E-03 ppm1      8.216 ppm2      3.056 CV     1
 ASSI { 1054}
   (( segid " 1SG" and resid 62   and name HN  ))
   (  segid " 1SG" and resid 72   and name HD% )
      4.100     2.100     1.900 peak  1054 spectrum    1 weight  0.10000E+01 volume  0.91818E-03 ppm1      8.848 ppm2      7.306 CV     1
 ASSI { 1055}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HD2 ))
      4.800     2.900     1.200 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.91768E-03 ppm1      8.305 ppm2      3.228 CV     1
 OR { 1055}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HD1 ))
 ASSI { 1056}
   (( segid " 1SG" and resid 87   and name HN  ))
   (( segid " 1SG" and resid 102  and name HN  ))
      3.400     1.400     1.400 peak  1056 spectrum    1 weight  0.10000E+01 volume  0.91636E-03 ppm1      9.110 ppm2      8.555 CV     1
 ASSI { 1057}
   (( segid " 1SG" and resid 72   and name HN  ))
   (  segid " 1SG" and resid 26   and name HB% )
      3.800     1.800     1.800 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.91574E-03 ppm1      9.293 ppm2      1.455 CV     1
 ASSI { 1059}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 23   and name HB  ))
      4.300     2.300     1.700 peak  1059 spectrum    1 weight  0.10000E+01 volume  0.91199E-03 ppm1      9.239 ppm2      3.585 CV     1
 ASSI { 1060}
   (( segid " 1SG" and resid 70   and name HN  ))
   (( segid " 1SG" and resid 28   and name HN  ))
      3.300     1.400     1.400 peak  1060 spectrum    1 weight  0.10000E+01 volume  0.91152E-03 ppm1      9.269 ppm2      9.678 CV     1
 ASSI { 1061}
   (( segid " 1SG" and resid 46   and name HN  ))
   (( segid " 1SG" and resid 45   and name HB2 ))
      3.700     1.700     1.700 peak  1061 spectrum    1 weight  0.10000E+01 volume  0.91032E-03 ppm1      8.213 ppm2      0.596 CV     1
 OR { 1061}
   (( segid " 1SG" and resid 46   and name HN  ))
   (( segid " 1SG" and resid 45   and name HG2 ))
 ASSI { 1062}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 74   and name HA  ))
      3.500     1.600     1.600 peak  1062 spectrum    1 weight  0.10000E+01 volume  0.90905E-03 ppm1      8.687 ppm2      4.333 CV     1
 ASSI { 1065}
   (( segid " 1SG" and resid 85   and name HN  ))
   (( segid " 1SG" and resid 104  and name HG  ))
      3.700     1.700     1.700 peak  1065 spectrum    1 weight  0.10000E+01 volume  0.90417E-03 ppm1      9.407 ppm2      1.334 CV     1
 ASSI { 1071}
   (( segid " 1SG" and resid 7    and name HN  ))
   (( segid " 1SG" and resid 6    and name HA  ))
      3.400     1.500     1.500 peak  1071 spectrum    1 weight  0.10000E+01 volume  0.89674E-03 ppm1      8.878 ppm2      4.443 CV     1
 ASSI { 1077}
   (( segid " 1SG" and resid 62   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD2%)
      4.500     2.500     1.500 peak  1077 spectrum    1 weight  0.10000E+01 volume  0.88671E-03 ppm1      8.848 ppm2      0.735 CV     1
 ASSI { 1078}
   (( segid " 1SG" and resid 72   and name HN  ))
   (( segid " 1SG" and resid 27   and name HA  ))
      3.900     1.900     1.900 peak  1078 spectrum    1 weight  0.10000E+01 volume  0.88602E-03 ppm1      9.296 ppm2      5.831 CV     1
 ASSI { 1079}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 67   and name HB2 ))
      3.800     1.800     1.800 peak  1079 spectrum    1 weight  0.10000E+01 volume  0.88466E-03 ppm1      6.900 ppm2      3.732 CV     1
 OR { 1079}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 67   and name HB1 ))
 ASSI { 1080}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 55   and name HA  ))
      3.600     1.600     1.600 peak  1080 spectrum    1 weight  0.10000E+01 volume  0.88381E-03 ppm1      7.434 ppm2      3.988 CV     1
 ASSI { 1081}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 105  and name HB  ))
      4.100     2.100     1.900 peak  1081 spectrum    1 weight  0.10000E+01 volume  0.88342E-03 ppm1      8.593 ppm2      3.930 CV     1
 ASSI { 1082}
   (( segid " 1SG" and resid 77   and name HN  ))
   (( segid " 1SG" and resid 76   and name HB  ))
      4.100     2.100     1.900 peak  1082 spectrum    1 weight  0.10000E+01 volume  0.88315E-03 ppm1      8.711 ppm2      1.910 CV     1
 ASSI { 1083}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 21   and name HA  ))
      3.700     1.700     1.700 peak  1083 spectrum    1 weight  0.10000E+01 volume  0.88246E-03 ppm1      8.972 ppm2      5.495 CV     1
 ASSI { 1084}
   (( segid " 1SG" and resid 80   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      4.100     2.100     1.900 peak  1084 spectrum    1 weight  0.10000E+01 volume  0.88215E-03 ppm1      5.579 ppm2      1.174 CV     1
 ASSI { 1088}
   (( segid " 1SG" and resid 85   and name HN  ))
   (  segid " 1SG" and resid 104  and name HD2%)
      3.200     1.300     1.300 peak  1088 spectrum    1 weight  0.10000E+01 volume  0.87894E-03 ppm1      9.407 ppm2      0.814 CV     1
 ASSI { 1092}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 72   and name HB2 ))
      4.200     2.200     1.800 peak  1092 spectrum    1 weight  0.10000E+01 volume  0.87398E-03 ppm1      9.451 ppm2      2.893 CV     1
 ASSI { 1095}
   (( segid " 1SG" and resid 90   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG1%)
      2.800     0.900     0.900 peak  1095 spectrum    1 weight  0.10000E+01 volume  0.40669E-02 ppm1      9.489 ppm2     -0.081 CV     1
 ASSI { 1101}
   (( segid " 1SG" and resid 43   and name HN  ))
   (  segid " 1SG" and resid 42   and name HD% )
      3.600     1.700     1.700 peak  1101 spectrum    1 weight  0.10000E+01 volume  0.86001E-03 ppm1      8.628 ppm2      6.700 CV     1
 ASSI { 1102}
   (( segid " 1SG" and resid 93   and name HN  ))
   (( segid " 1SG" and resid 92   and name HN  ))
      4.000     2.000     2.000 peak  1102 spectrum    1 weight  0.10000E+01 volume  0.85947E-03 ppm1      8.556 ppm2      8.734 CV     1
 ASSI { 1105}
   (( segid " 1SG" and resid 48   and name HN  ))
   (  segid " 1SG" and resid 42   and name HD% )
      4.000     2.000     2.000 peak  1105 spectrum    1 weight  0.10000E+01 volume  0.85091E-03 ppm1      8.396 ppm2      6.693 CV     1
 ASSI { 1106}
   (( segid " 1SG" and resid 90   and name HN  ))
   (( segid " 1SG" and resid 89   and name HB2 ))
      4.500     2.500     1.500 peak  1106 spectrum    1 weight  0.10000E+01 volume  0.85084E-03 ppm1      9.488 ppm2      2.324 CV     1
 ASSI { 1109}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 89   and name HB2 ))
      3.400     1.400     1.400 peak  1109 spectrum    1 weight  0.10000E+01 volume  0.84844E-03 ppm1      8.977 ppm2      2.309 CV     1
 ASSI { 1114}
   (( segid " 1SG" and resid 40   and name HN  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      5.000     3.100     1.000 peak  1114 spectrum    1 weight  0.10000E+01 volume  0.84070E-03 ppm1      8.695 ppm2      0.172 CV     1
 ASSI { 1115}
   (( segid " 1SG" and resid 96   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.700     1.700     1.700 peak  1115 spectrum    1 weight  0.10000E+01 volume  0.83675E-03 ppm1      7.545 ppm2      0.466 CV     1
 ASSI { 1116}
   (( segid " 1SG" and resid 78   and name HN  ))
   (  segid " 1SG" and resid 76   and name HG2%)
      4.100     2.100     1.900 peak  1116 spectrum    1 weight  0.10000E+01 volume  0.83288E-03 ppm1      8.055 ppm2      0.789 CV     1
 ASSI { 1117}
   (( segid " 1SG" and resid 64   and name HN  ))
   (( segid " 1SG" and resid 63   and name HB2 ))
      5.000     3.200     1.000 peak  1117 spectrum    1 weight  0.10000E+01 volume  0.83118E-03 ppm1      7.754 ppm2      2.540 CV     1
 ASSI { 1118}
   (( segid " 1SG" and resid 33   and name HN  ))
   (( segid " 1SG" and resid 32   and name HA  ))
      3.700     1.700     1.700 peak  1118 spectrum    1 weight  0.10000E+01 volume  0.82994E-03 ppm1      7.614 ppm2      4.515 CV     1
 ASSI { 1119}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 72   and name HN  ))
      4.000     2.000     2.000 peak  1119 spectrum    1 weight  0.10000E+01 volume  0.82901E-03 ppm1      9.450 ppm2      9.298 CV     1
 ASSI { 1120}
   (( segid " 1SG" and resid 50   and name HN  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      4.000     2.000     2.000 peak  1120 spectrum    1 weight  0.10000E+01 volume  0.82634E-03 ppm1      8.939 ppm2      1.056 CV     1
 ASSI { 1122}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 40   and name HD2 ))
      4.000     2.000     2.000 peak  1122 spectrum    1 weight  0.10000E+01 volume  0.82421E-03 ppm1      8.978 ppm2      1.704 CV     1
 OR { 1122}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 40   and name HD1 ))
 ASSI { 1124}
   (( segid " 1SG" and resid 84   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      5.400     3.600     0.600 peak  1124 spectrum    1 weight  0.10000E+01 volume  0.82332E-03 ppm1      7.861 ppm2      0.372 CV     1
 ASSI { 1127}
   (( segid " 1SG" and resid 30   and name HN  ))
   (  segid " 1SG" and resid 70   and name HE% )
      4.100     2.100     1.900 peak  1127 spectrum    1 weight  0.10000E+01 volume  0.81933E-03 ppm1      8.590 ppm2      6.626 CV     1
 ASSI { 1128}
   (( segid " 1SG" and resid 6    and name HN  ))
   (  segid " 1SG" and resid 6    and name HD1%)
      4.300     2.300     1.700 peak  1128 spectrum    1 weight  0.10000E+01 volume  0.81802E-03 ppm1      8.452 ppm2      0.650 CV     1
 ASSI { 1130}
   (( segid " 1SG" and resid 52   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
      4.600     2.600     1.400 peak  1130 spectrum    1 weight  0.10000E+01 volume  0.81678E-03 ppm1      7.782 ppm2      0.598 CV     1
 OR { 1130}
   (( segid " 1SG" and resid 52   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI { 1132}
   (( segid " 1SG" and resid 51   and name HN  ))
   (( segid " 1SG" and resid 52   and name HG2 ))
      4.200     2.200     1.800 peak  1132 spectrum    1 weight  0.10000E+01 volume  0.81566E-03 ppm1      7.881 ppm2      1.329 CV     1
 OR { 1132}
   (( segid " 1SG" and resid 51   and name HN  ))
   (( segid " 1SG" and resid 52   and name HG1 ))
 ASSI { 1134}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 43   and name HA  ))
      3.300     1.400     1.400 peak  1134 spectrum    1 weight  0.10000E+01 volume  0.81438E-03 ppm1      8.628 ppm2      4.137 CV     1
 ASSI { 1135}
   (( segid " 1SG" and resid 102  and name HN  ))
   (  segid " 1SG" and resid 102  and name HD% )
      3.600     1.600     1.600 peak  1135 spectrum    1 weight  0.10000E+01 volume  0.81422E-03 ppm1      8.559 ppm2      6.774 CV     1
 ASSI { 1136}
   (( segid " 1SG" and resid 85   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG1%)
      4.100     2.100     1.900 peak  1136 spectrum    1 weight  0.10000E+01 volume  0.81322E-03 ppm1      9.402 ppm2      0.679 CV     1
 ASSI { 1139}
   (( segid " 1SG" and resid 97   and name HN  ))
   (  segid " 1SG" and resid 97   and name HD% )
      4.600     2.600     1.400 peak  1139 spectrum    1 weight  0.10000E+01 volume  0.81182E-03 ppm1      8.059 ppm2      7.095 CV     1
 ASSI { 1147}
   (( segid " 1SG" and resid 6    and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      4.800     2.800     1.200 peak  1147 spectrum    1 weight  0.10000E+01 volume  0.80571E-03 ppm1      8.450 ppm2      0.473 CV     1
 ASSI { 1148}
   (( segid " 1SG" and resid 100  and name HN  ))
   (( segid " 1SG" and resid 100  and name HB2 ))
      4.100     2.100     1.900 peak  1148 spectrum    1 weight  0.10000E+01 volume  0.80486E-03 ppm1      8.896 ppm2      2.949 CV     1
 ASSI { 1149}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 94   and name HD1 ))
      2.400     2.400     3.600 peak  1149 spectrum    1 weight  0.10000E+01 volume  0.80339E-03 ppm1      7.966 ppm2      1.675 CV     1
 OR { 1149}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 94   and name HD2 ))
 ASSI { 1150}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 7    and name HB2 ))
      2.700     2.700     3.300 peak  1150 spectrum    1 weight  0.10000E+01 volume  0.80308E-03 ppm1      7.886 ppm2      2.575 CV     1
 ASSI { 1151}
   (( segid " 1SG" and resid 105  and name HN  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      4.200     2.200     1.800 peak  1151 spectrum    1 weight  0.10000E+01 volume  0.80234E-03 ppm1      8.397 ppm2      0.598 CV     1
 ASSI { 1153}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 49   and name HB2 ))
      4.700     2.800     1.300 peak  1153 spectrum    1 weight  0.10000E+01 volume  0.79785E-03 ppm1      6.765 ppm2      1.541 CV     1
 ASSI { 1154}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 104  and name HG  ))
      4.000     2.000     2.000 peak  1154 spectrum    1 weight  0.10000E+01 volume  0.79731E-03 ppm1      8.795 ppm2      1.331 CV     1
 ASSI { 1155}
   (( segid " 1SG" and resid 17   and name HN  ))
   (( segid " 1SG" and resid 20   and name HA1 ))
      3.600     1.600     1.600 peak  1155 spectrum    1 weight  0.10000E+01 volume  0.79468E-03 ppm1      7.901 ppm2      3.729 CV     1
 ASSI { 1156}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 94   and name HA  ))
      4.700     2.800     1.300 peak  1156 spectrum    1 weight  0.10000E+01 volume  0.79460E-03 ppm1      7.545 ppm2      4.046 CV     1
 ASSI { 1159}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (  segid " 1SG" and resid 47   and name HG2%)
      3.800     1.800     1.800 peak  1159 spectrum    1 weight  0.10000E+01 volume  0.79363E-03 ppm1     10.119 ppm2      0.784 CV     1
 ASSI { 1160}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 29   and name HN  ))
      4.100     2.100     1.900 peak  1160 spectrum    1 weight  0.10000E+01 volume  0.79240E-03 ppm1      9.673 ppm2      8.869 CV     1
 ASSI { 1161}
   (( segid " 1SG" and resid 21   and name HN  ))
   (( segid " 1SG" and resid 77   and name HA  ))
      4.800     2.900     1.200 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.79178E-03 ppm1      8.164 ppm2      4.654 CV     1
 ASSI { 1162}
   (( segid " 1SG" and resid 64   and name HN  ))
   (( segid " 1SG" and resid 68   and name HN  ))
      4.000     2.000     2.000 peak  1162 spectrum    1 weight  0.10000E+01 volume  0.79100E-03 ppm1      7.762 ppm2      7.885 CV     1
 ASSI { 1163}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 48   and name HB2 ))
      4.400     2.400     1.600 peak  1163 spectrum    1 weight  0.10000E+01 volume  0.79054E-03 ppm1      9.289 ppm2      2.942 CV     1
 ASSI { 1166}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 104  and name HB2 ))
      4.600     2.600     1.400 peak  1166 spectrum    1 weight  0.10000E+01 volume  0.78829E-03 ppm1      8.397 ppm2      1.239 CV     1
 ASSI { 1167}
   (( segid " 1SG" and resid 8    and name HN  ))
   (  segid " 1SG" and resid 7    and name HD% )
      4.700     2.700     1.300 peak  1167 spectrum    1 weight  0.10000E+01 volume  0.78663E-03 ppm1      9.051 ppm2      7.309 CV     1
 ASSI { 1168}
   (( segid " 1SG" and resid 67   and name HN  ))
   (  segid " 1SG" and resid 69   and name HG2%)
      4.600     2.700     1.400 peak  1168 spectrum    1 weight  0.10000E+01 volume  0.78651E-03 ppm1      7.424 ppm2      0.850 CV     1
 OR { 1168}
   (( segid " 1SG" and resid 67   and name HN  ))
   (  segid " 1SG" and resid 69   and name HG1%)
 ASSI { 1170}
   (( segid " 1SG" and resid 12   and name HE21))
   (  segid " 1SG" and resid 102  and name HE% )
      4.200     2.200     1.800 peak  1170 spectrum    1 weight  0.10000E+01 volume  0.78574E-03 ppm1      7.462 ppm2      7.083 CV     1
 ASSI { 1172}
   (( segid " 1SG" and resid 86   and name HN  ))
   (( segid " 1SG" and resid 85   and name HN  ))
      4.100     2.100     1.900 peak  1172 spectrum    1 weight  0.10000E+01 volume  0.78555E-03 ppm1      7.948 ppm2      9.406 CV     1
 ASSI { 1173}
   (( segid " 1SG" and resid 90   and name HN  ))
   (( segid " 1SG" and resid 41   and name HA  ))
      4.300     2.300     1.700 peak  1173 spectrum    1 weight  0.10000E+01 volume  0.78342E-03 ppm1      9.490 ppm2      5.471 CV     1
 ASSI { 1174}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB1 ))
      4.700     2.700     1.300 peak  1174 spectrum    1 weight  0.10000E+01 volume  0.78334E-03 ppm1      7.198 ppm2      2.395 CV     1
 OR { 1174}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB2 ))
 ASSI { 1175}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 73   and name HB2 ))
      3.900     1.900     1.900 peak  1175 spectrum    1 weight  0.10000E+01 volume  0.78330E-03 ppm1      8.688 ppm2      1.552 CV     1
 ASSI { 1181}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 99   and name HB2 ))
      3.900     1.900     1.900 peak  1181 spectrum    1 weight  0.10000E+01 volume  0.77862E-03 ppm1      9.230 ppm2      2.737 CV     1
 ASSI { 1183}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HA  ))
      3.300     1.400     1.400 peak  1183 spectrum    1 weight  0.10000E+01 volume  0.77831E-03 ppm1      8.888 ppm2      5.828 CV     1
 ASSI { 1184}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 105  and name HN  ))
      3.700     1.700     1.700 peak  1184 spectrum    1 weight  0.10000E+01 volume  0.77819E-03 ppm1      9.178 ppm2      8.396 CV     1
 ASSI { 1187}
   (( segid " 1SG" and resid 17   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      4.600     2.600     1.400 peak  1187 spectrum    1 weight  0.10000E+01 volume  0.77715E-03 ppm1      7.900 ppm2      1.179 CV     1
 ASSI { 1193}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 96   and name HG1 ))
      4.800     2.900     1.200 peak  1193 spectrum    1 weight  0.10000E+01 volume  0.77154E-03 ppm1      7.973 ppm2      1.317 CV     1
 OR { 1193}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 96   and name HG2 ))
 ASSI { 1194}
   (( segid " 1SG" and resid 60   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD2%)
      4.200     2.200     1.800 peak  1194 spectrum    1 weight  0.10000E+01 volume  0.76925E-03 ppm1      8.688 ppm2      0.407 CV     1
 OR { 1194}
   (( segid " 1SG" and resid 60   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI { 1198}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 76   and name HN  ))
      4.300     2.300     1.700 peak  1198 spectrum    1 weight  0.10000E+01 volume  0.76887E-03 ppm1      9.238 ppm2      8.919 CV     1
 ASSI { 1199}
   (( segid " 1SG" and resid 70   and name HN  ))
   (( segid " 1SG" and resid 29   and name HA  ))
      4.400     2.400     1.600 peak  1199 spectrum    1 weight  0.10000E+01 volume  0.76852E-03 ppm1      9.269 ppm2      4.385 CV     1
 ASSI { 1201}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 81   and name HA  ))
      5.600     3.900     0.400 peak  1201 spectrum    1 weight  0.10000E+01 volume  0.76693E-03 ppm1      8.150 ppm2      3.988 CV     1
 ASSI { 1205}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (  segid " 1SG" and resid 74   and name HD2%)
      4.100     2.100     1.900 peak  1205 spectrum    1 weight  0.10000E+01 volume  0.76554E-03 ppm1     10.782 ppm2      0.402 CV     1
 OR { 1205}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI { 1210}
   (( segid " 1SG" and resid 29   and name HN  ))
   (( segid " 1SG" and resid 28   and name HB  ))
      4.200     2.200     1.800 peak  1210 spectrum    1 weight  0.10000E+01 volume  0.76031E-03 ppm1      8.854 ppm2      1.961 CV     1
 ASSI { 1211}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 82   and name HN  ))
      3.400     1.400     1.400 peak  1211 spectrum    1 weight  0.10000E+01 volume  0.76012E-03 ppm1      8.254 ppm2      8.025 CV     1
 ASSI { 1214}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 15   and name HB2 ))
      4.800     2.800     1.200 peak  1214 spectrum    1 weight  0.10000E+01 volume  0.75571E-03 ppm1      8.404 ppm2      2.024 CV     1
 OR { 1214}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 15   and name HB1 ))
 ASSI { 1217}
   (( segid " 1SG" and resid 76   and name HN  ))
   (( segid " 1SG" and resid 77   and name HN  ))
      4.100     2.100     1.900 peak  1217 spectrum    1 weight  0.10000E+01 volume  0.75338E-03 ppm1      8.925 ppm2      8.720 CV     1
 ASSI { 1218}
   (( segid " 1SG" and resid 80   and name HE21))
   (( segid " 1SG" and resid 80   and name HA  ))
      3.600     1.700     1.700 peak  1218 spectrum    1 weight  0.10000E+01 volume  0.75203E-03 ppm1      6.979 ppm2      4.637 CV     1
 ASSI { 1219}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 26   and name HN  ))
      4.100     2.100     1.900 peak  1219 spectrum    1 weight  0.10000E+01 volume  0.75184E-03 ppm1      8.401 ppm2      9.500 CV     1
 ASSI { 1222}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 93   and name HB  ))
      3.900     1.900     1.900 peak  1222 spectrum    1 weight  0.10000E+01 volume  0.74901E-03 ppm1      7.972 ppm2      4.556 CV     1
 ASSI { 1224}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 68   and name HG2 ))
      5.400     3.600     0.600 peak  1224 spectrum    1 weight  0.10000E+01 volume  0.74812E-03 ppm1      7.423 ppm2      1.256 CV     1
 OR { 1224}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 68   and name HG1 ))
 ASSI { 1225}
   (( segid " 1SG" and resid 96   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD1%)
      4.200     2.200     1.800 peak  1225 spectrum    1 weight  0.10000E+01 volume  0.74754E-03 ppm1      7.544 ppm2      0.653 CV     1
 ASSI { 1226}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 60   and name HB2 ))
      3.500     1.500     1.500 peak  1226 spectrum    1 weight  0.10000E+01 volume  0.74595E-03 ppm1      9.449 ppm2      2.977 CV     1
 ASSI { 1228}
   (( segid " 1SG" and resid 108  and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.900     1.900     1.900 peak  1228 spectrum    1 weight  0.10000E+01 volume  0.74290E-03 ppm1      8.564 ppm2      0.370 CV     1
 ASSI { 1230}
   (( segid " 1SG" and resid 30   and name HN  ))
   (( segid " 1SG" and resid 70   and name HN  ))
      3.800     1.800     1.800 peak  1230 spectrum    1 weight  0.10000E+01 volume  0.73964E-03 ppm1      8.593 ppm2      9.275 CV     1
 ASSI { 1231}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 24   and name HN  ))
      4.300     2.300     1.700 peak  1231 spectrum    1 weight  0.10000E+01 volume  0.73949E-03 ppm1      8.400 ppm2      9.240 CV     1
 ASSI { 1232}
   (( segid " 1SG" and resid 83   and name HN  ))
   (  segid " 1SG" and resid 83   and name HE% )
      4.900     3.000     1.100 peak  1232 spectrum    1 weight  0.10000E+01 volume  0.73934E-03 ppm1      8.256 ppm2      7.263 CV     1
 ASSI { 1238}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 58   and name HG2 ))
      4.500     2.500     1.500 peak  1238 spectrum    1 weight  0.10000E+01 volume  0.73465E-03 ppm1      9.148 ppm2      1.803 CV     1
 ASSI { 1239}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 40   and name HD2 ))
      4.600     2.600     1.400 peak  1239 spectrum    1 weight  0.10000E+01 volume  0.73287E-03 ppm1      9.110 ppm2      1.698 CV     1
 OR { 1239}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 40   and name HD1 ))
 ASSI { 1241}
   (( segid " 1SG" and resid 108  and name HN  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      4.600     2.600     1.400 peak  1241 spectrum    1 weight  0.10000E+01 volume  0.73245E-03 ppm1      8.565 ppm2      1.285 CV     1
 ASSI { 1245}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 41   and name HD1 ))
      4.100     2.100     1.900 peak  1245 spectrum    1 weight  0.10000E+01 volume  0.73032E-03 ppm1      8.690 ppm2      7.122 CV     1
 ASSI { 1247}
   (( segid " 1SG" and resid 58   and name HE22))
   (( segid " 1SG" and resid 77   and name HB  ))
      4.400     2.500     1.600 peak  1247 spectrum    1 weight  0.10000E+01 volume  0.72950E-03 ppm1      6.686 ppm2      4.009 CV     1
 ASSI { 1249}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 7    and name HB2 ))
      2.800     2.800     3.200 peak  1249 spectrum    1 weight  0.10000E+01 volume  0.72865E-03 ppm1      9.229 ppm2      2.578 CV     1
 ASSI { 1250}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 77   and name HN  ))
      5.000     3.100     1.000 peak  1250 spectrum    1 weight  0.10000E+01 volume  0.72830E-03 ppm1      8.944 ppm2      8.717 CV     1
 ASSI { 1258}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 74   and name HN  ))
      4.400     2.400     1.600 peak  1258 spectrum    1 weight  0.10000E+01 volume  0.72293E-03 ppm1      9.450 ppm2      8.472 CV     1
 ASSI { 1260}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 42   and name HB2 ))
      4.700     2.700     1.300 peak  1260 spectrum    1 weight  0.10000E+01 volume  0.72169E-03 ppm1      9.287 ppm2      2.479 CV     1
 ASSI { 1263}
   (( segid " 1SG" and resid 73   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD2%)
      4.600     2.700     1.400 peak  1263 spectrum    1 weight  0.10000E+01 volume  0.71855E-03 ppm1      9.448 ppm2      0.742 CV     1
 ASSI { 1264}
   (( segid " 1SG" and resid 80   and name HE22))
   (( segid " 1SG" and resid 80   and name HA  ))
      5.300     3.500     0.700 peak  1264 spectrum    1 weight  0.10000E+01 volume  0.71727E-03 ppm1      6.643 ppm2      4.635 CV     1
 ASSI { 1268}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 89   and name HA  ))
      3.600     1.600     1.600 peak  1268 spectrum    1 weight  0.10000E+01 volume  0.71611E-03 ppm1      8.977 ppm2      4.944 CV     1
 ASSI { 1269}
   (( segid " 1SG" and resid 73   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD1%)
      3.900     1.900     1.900 peak  1269 spectrum    1 weight  0.10000E+01 volume  0.71604E-03 ppm1      9.452 ppm2      0.839 CV     1
 ASSI { 1270}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 57   and name HG  ))
      4.600     2.600     1.400 peak  1270 spectrum    1 weight  0.10000E+01 volume  0.71580E-03 ppm1      9.018 ppm2      0.750 CV     1
 ASSI { 1272}
   (( segid " 1SG" and resid 53   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD1%)
      5.400     3.600     0.600 peak  1272 spectrum    1 weight  0.10000E+01 volume  0.71488E-03 ppm1      6.765 ppm2      0.861 CV     1
 ASSI { 1273}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 98   and name HB2 ))
      4.800     2.800     1.200 peak  1273 spectrum    1 weight  0.10000E+01 volume  0.71437E-03 ppm1      9.229 ppm2      2.289 CV     1
 ASSI { 1274}
   (( segid " 1SG" and resid 16   and name HN  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      4.600     2.700     1.400 peak  1274 spectrum    1 weight  0.10000E+01 volume  0.71398E-03 ppm1      8.594 ppm2      1.286 CV     1
 ASSI { 1276}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 71   and name HA  ))
      4.200     2.200     1.800 peak  1276 spectrum    1 weight  0.10000E+01 volume  0.71333E-03 ppm1      9.674 ppm2      5.062 CV     1
 ASSI { 1277}
   (( segid " 1SG" and resid 76   and name HN  ))
   (( segid " 1SG" and resid 75   and name HN  ))
      4.000     2.000     2.000 peak  1277 spectrum    1 weight  0.10000E+01 volume  0.71317E-03 ppm1      8.928 ppm2      9.150 CV     1
 ASSI { 1285}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 17   and name HN  ))
      3.800     1.800     1.800 peak  1285 spectrum    1 weight  0.10000E+01 volume  0.70377E-03 ppm1      8.829 ppm2      7.897 CV     1
 ASSI { 1286}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 65   and name HA  ))
      4.300     2.400     1.700 peak  1286 spectrum    1 weight  0.10000E+01 volume  0.70373E-03 ppm1      7.422 ppm2      3.445 CV     1
 ASSI { 1287}
   (( segid " 1SG" and resid 22   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      4.300     2.300     1.700 peak  1287 spectrum    1 weight  0.10000E+01 volume  0.70369E-03 ppm1      8.892 ppm2      1.182 CV     1
 ASSI { 1288}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 67   and name HA  ))
      4.700     2.800     1.300 peak  1288 spectrum    1 weight  0.10000E+01 volume  0.70326E-03 ppm1      8.107 ppm2      4.299 CV     1
 ASSI { 1290}
   (( segid " 1SG" and resid 70   and name HN  ))
   (( segid " 1SG" and resid 28   and name HB  ))
      3.700     1.700     1.700 peak  1290 spectrum    1 weight  0.10000E+01 volume  0.70307E-03 ppm1      9.273 ppm2      1.954 CV     1
 ASSI { 1292}
   (( segid " 1SG" and resid 101  and name HD22))
   (( segid " 1SG" and resid 101  and name HB2 ))
      4.400     2.500     1.600 peak  1292 spectrum    1 weight  0.10000E+01 volume  0.70067E-03 ppm1      6.724 ppm2      2.692 CV     1
 ASSI { 1295}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 83   and name HA  ))
      3.800     1.900     1.900 peak  1295 spectrum    1 weight  0.10000E+01 volume  0.69785E-03 ppm1     10.109 ppm2      4.613 CV     1
 ASSI { 1296}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB1 ))
      4.600     2.600     1.400 peak  1296 spectrum    1 weight  0.10000E+01 volume  0.69773E-03 ppm1      9.024 ppm2      2.399 CV     1
 OR { 1296}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB2 ))
 ASSI { 1298}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 37   and name HB2 ))
      4.600     2.600     1.400 peak  1298 spectrum    1 weight  0.10000E+01 volume  0.69719E-03 ppm1      8.737 ppm2      1.365 CV     1
 OR { 1298}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 37   and name HG2 ))
 ASSI { 1301}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 106  and name HN  ))
      4.300     2.300     1.700 peak  1301 spectrum    1 weight  0.10000E+01 volume  0.69680E-03 ppm1      8.826 ppm2      8.159 CV     1
 ASSI { 1302}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 84   and name HA  ))
      4.000     2.000     2.000 peak  1302 spectrum    1 weight  0.10000E+01 volume  0.69537E-03 ppm1      8.799 ppm2      4.230 CV     1
 OR { 1302}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 84   and name HB  ))
 ASSI { 1306}
   (( segid " 1SG" and resid 40   and name HN  ))
   (  segid " 1SG" and resid 38   and name HG2%)
      4.500     2.600     1.500 peak  1306 spectrum    1 weight  0.10000E+01 volume  0.69142E-03 ppm1      8.688 ppm2      0.784 CV     1
 ASSI { 1309}
   (( segid " 1SG" and resid 48   and name HN  ))
   (( segid " 1SG" and resid 47   and name HN  ))
      4.400     2.400     1.600 peak  1309 spectrum    1 weight  0.10000E+01 volume  0.68918E-03 ppm1      8.396 ppm2      7.292 CV     1
 ASSI { 1310}
   (( segid " 1SG" and resid 93   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD1%)
      4.300     2.300     1.700 peak  1310 spectrum    1 weight  0.10000E+01 volume  0.68902E-03 ppm1      8.555 ppm2      0.652 CV     1
 ASSI { 1311}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 46   and name HB2 ))
      4.700     2.700     1.300 peak  1311 spectrum    1 weight  0.10000E+01 volume  0.68867E-03 ppm1     10.115 ppm2      3.057 CV     1
 ASSI { 1312}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      4.100     2.100     1.900 peak  1312 spectrum    1 weight  0.10000E+01 volume  0.68724E-03 ppm1      9.149 ppm2      1.436 CV     1
 ASSI { 1314}
   (( segid " 1SG" and resid 42   and name HN  ))
   (( segid " 1SG" and resid 41   and name HN  ))
      4.600     2.700     1.400 peak  1314 spectrum    1 weight  0.10000E+01 volume  0.68558E-03 ppm1      9.445 ppm2      9.310 CV     1
 ASSI { 1315}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 101  and name HA  ))
      4.300     2.300     1.700 peak  1315 spectrum    1 weight  0.10000E+01 volume  0.68546E-03 ppm1      8.979 ppm2      5.507 CV     1
 ASSI { 1317}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 45   and name HA  ))
      5.000     3.100     1.000 peak  1317 spectrum    1 weight  0.10000E+01 volume  0.68298E-03 ppm1     10.118 ppm2      3.497 CV     1
 ASSI { 1318}
   (( segid " 1SG" and resid 48   and name HN  ))
   (( segid " 1SG" and resid 49   and name HN  ))
      4.100     2.100     1.900 peak  1318 spectrum    1 weight  0.10000E+01 volume  0.68267E-03 ppm1      8.398 ppm2      9.293 CV     1
 ASSI { 1319}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 57   and name HA  ))
      4.100     2.100     1.900 peak  1319 spectrum    1 weight  0.10000E+01 volume  0.68198E-03 ppm1      9.150 ppm2      5.401 CV     1
 ASSI { 1320}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 45   and name HE2 ))
      3.900     1.900     1.900 peak  1320 spectrum    1 weight  0.10000E+01 volume  0.68167E-03 ppm1     10.108 ppm2      2.594 CV     1
 ASSI { 1323}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 58   and name HA  ))
      3.900     1.900     1.900 peak  1323 spectrum    1 weight  0.10000E+01 volume  0.67985E-03 ppm1      7.436 ppm2      4.650 CV     1
 ASSI { 1325}
   (( segid " 1SG" and resid 10   and name HN  ))
   (( segid " 1SG" and resid 10   and name HA  ))
      3.500     1.600     1.600 peak  1325 spectrum    1 weight  0.10000E+01 volume  0.67776E-03 ppm1      8.852 ppm2      4.315 CV     1
 ASSI { 1332}
   (( segid " 1SG" and resid 80   and name HN  ))
   (( segid " 1SG" and resid 80   and name HG2 ))
      4.700     2.800     1.300 peak  1332 spectrum    1 weight  0.10000E+01 volume  0.67350E-03 ppm1      5.579 ppm2      2.159 CV     1
 OR { 1332}
   (( segid " 1SG" and resid 80   and name HN  ))
   (( segid " 1SG" and resid 80   and name HG1 ))
 ASSI { 1333}
   (( segid " 1SG" and resid 21   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      4.300     2.300     1.700 peak  1333 spectrum    1 weight  0.10000E+01 volume  0.67265E-03 ppm1      8.168 ppm2      1.177 CV     1
 ASSI { 1335}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 89   and name HA  ))
      4.400     2.400     1.600 peak  1335 spectrum    1 weight  0.10000E+01 volume  0.67103E-03 ppm1      8.689 ppm2      4.943 CV     1
 ASSI { 1341}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 88   and name HA  ))
      3.400     1.400     1.400 peak  1341 spectrum    1 weight  0.10000E+01 volume  0.66452E-03 ppm1      9.108 ppm2      5.308 CV     1
 ASSI { 1347}
   (( segid " 1SG" and resid 29   and name HN  ))
   (( segid " 1SG" and resid 30   and name HN  ))
      3.300     1.300     1.300 peak  1347 spectrum    1 weight  0.10000E+01 volume  0.40564E-02 ppm1      8.854 ppm2      8.595 CV     1
 ASSI { 1349}
   (( segid " 1SG" and resid 42   and name HN  ))
   (( segid " 1SG" and resid 42   and name HA  ))
      2.700     0.900     0.900 peak  1349 spectrum    1 weight  0.10000E+01 volume  0.40564E-02 ppm1      9.447 ppm2      5.780 CV     1
 ASSI { 1350}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 102  and name HN  ))
      3.200     1.200     1.200 peak  1350 spectrum    1 weight  0.10000E+01 volume  0.40584E-02 ppm1      9.241 ppm2      8.557 CV     1
 ASSI { 1351}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 14   and name HN  ))
      3.400     1.400     1.400 peak  1351 spectrum    1 weight  0.10000E+01 volume  0.40564E-02 ppm1      8.317 ppm2      9.191 CV     1
 ASSI { 1352}
   (( segid " 1SG" and resid 94   and name HN  ))
   (( segid " 1SG" and resid 94   and name HB2 ))
      3.200     1.200     1.200 peak  1352 spectrum    1 weight  0.10000E+01 volume  0.40564E-02 ppm1      8.330 ppm2      1.778 CV     1
 ASSI { 1353}
   (( segid " 1SG" and resid 93   and name HN  ))
   (( segid " 1SG" and resid 93   and name HB  ))
      2.600     0.900     0.900 peak  1353 spectrum    1 weight  0.10000E+01 volume  0.40564E-02 ppm1      8.558 ppm2      4.550 CV     1
 ASSI { 1354}
   (( segid " 1SG" and resid 5    and name HN  ))
   (( segid " 1SG" and resid 5    and name HA2 ))
      2.600     0.800     0.800 peak  1354 spectrum    1 weight  0.10000E+01 volume  0.40564E-02 ppm1      8.141 ppm2      3.855 CV     1
 OR { 1354}
   (( segid " 1SG" and resid 5    and name HN  ))
   (( segid " 1SG" and resid 5    and name HA1 ))
 ASSI { 1356}
   (( segid " 1SG" and resid 56   and name HN  ))
   (( segid " 1SG" and resid 56   and name HA  ))
      2.900     1.000     1.000 peak  1356 spectrum    1 weight  0.10000E+01 volume  0.40564E-02 ppm1      8.385 ppm2      4.970 CV     1
 ASSI { 1358}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 8    and name HN  ))
      2.500     0.800     0.800 peak  1358 spectrum    1 weight  0.10000E+01 volume  0.40564E-02 ppm1      7.892 ppm2      9.052 CV     1
 ASSI { 1360}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 98   and name HN  ))
      3.400     1.400     1.400 peak  1360 spectrum    1 weight  0.10000E+01 volume  0.40564E-02 ppm1      8.056 ppm2      8.423 CV     1
 ASSI { 1361}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 104  and name HN  ))
      3.200     1.300     1.300 peak  1361 spectrum    1 weight  0.10000E+01 volume  0.40584E-02 ppm1      9.242 ppm2      8.788 CV     1
 ASSI { 1363}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB1 ))
      4.100     2.100     1.900 peak  1363 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      9.288 ppm2      1.696 CV     1
 OR { 1363}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB2 ))
 ASSI { 1365}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 35   and name HB2 ))
      3.200     1.300     1.300 peak  1365 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      7.510 ppm2      1.779 CV     1
 OR { 1365}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 35   and name HB1 ))
 ASSI { 1366}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 35   and name HE1 ))
      3.500     1.500     1.500 peak  1366 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      7.510 ppm2      2.950 CV     1
 OR { 1366}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 35   and name HE2 ))
 ASSI { 1369}
   (( segid " 1SG" and resid 45   and name HN  ))
   (( segid " 1SG" and resid 45   and name HB2 ))
      2.600     0.800     0.800 peak  1369 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      8.195 ppm2      0.606 CV     1
 OR { 1369}
   (( segid " 1SG" and resid 45   and name HN  ))
   (( segid " 1SG" and resid 45   and name HG2 ))
 ASSI { 1371}
   (( segid " 1SG" and resid 94   and name HN  ))
   (( segid " 1SG" and resid 94   and name HA  ))
      2.500     0.800     0.800 peak  1371 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      8.337 ppm2      4.042 CV     1
 ASSI { 1373}
   (( segid " 1SG" and resid 18   and name HN  ))
   (  segid " 1SG" and resid 18   and name HG1%)
      3.600     1.600     1.600 peak  1373 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      8.005 ppm2      0.992 CV     1
 ASSI { 1374}
   (( segid " 1SG" and resid 53   and name HN  ))
   (  segid " 1SG" and resid 53   and name HG1%)
      3.600     1.600     1.600 peak  1374 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      6.764 ppm2      1.120 CV     1
 ASSI { 1376}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 21   and name HB2 ))
      3.800     1.800     1.800 peak  1376 spectrum    1 weight  0.10000E+01 volume  0.40584E-02 ppm1      8.053 ppm2      3.751 CV     1
 ASSI { 1379}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 62   and name HN  ))
      3.800     1.800     1.800 peak  1379 spectrum    1 weight  0.10000E+01 volume  0.40564E-02 ppm1      9.447 ppm2      8.851 CV     1
 ASSI { 1380}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 64   and name HN  ))
      3.300     1.400     1.400 peak  1380 spectrum    1 weight  0.10000E+01 volume  0.40564E-02 ppm1      8.721 ppm2      7.751 CV     1
 ASSI { 1381}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 87   and name HN  ))
      3.000     1.100     1.100 peak  1381 spectrum    1 weight  0.10000E+01 volume  0.40564E-02 ppm1      8.792 ppm2      9.113 CV     1
 ASSI { 1384}
   (( segid " 1SG" and resid 98   and name HN  ))
   (( segid " 1SG" and resid 98   and name HA  ))
      2.800     1.000     1.000 peak  1384 spectrum    1 weight  0.10000E+01 volume  0.40564E-02 ppm1      8.417 ppm2      4.696 CV     1
 ASSI { 1385}
   (( segid " 1SG" and resid 80   and name HN  ))
   (( segid " 1SG" and resid 80   and name HA  ))
      2.600     0.900     0.900 peak  1385 spectrum    1 weight  0.10000E+01 volume  0.40564E-02 ppm1      5.581 ppm2      4.644 CV     1
 ASSI { 1386}
   (( segid " 1SG" and resid 12   and name HN  ))
   (( segid " 1SG" and resid 12   and name HA  ))
      2.700     0.900     0.900 peak  1386 spectrum    1 weight  0.10000E+01 volume  0.40564E-02 ppm1      8.345 ppm2      4.679 CV     1
 ASSI { 1391}
   (( segid " 1SG" and resid 101  and name HN  ))
   (( segid " 1SG" and resid 101  and name HA  ))
      2.600     0.800     0.800 peak  1391 spectrum    1 weight  0.10000E+01 volume  0.40564E-02 ppm1      9.044 ppm2      5.506 CV     1
 ASSI { 1395}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 49   and name HN  ))
      2.900     1.000     1.000 peak  1395 spectrum    1 weight  0.10000E+01 volume  0.40564E-02 ppm1      8.632 ppm2      9.291 CV     1
 ASSI { 1397}
   (( segid " 1SG" and resid 33   and name HN  ))
   (( segid " 1SG" and resid 33   and name HA  ))
      2.700     0.900     0.900 peak  1397 spectrum    1 weight  0.10000E+01 volume  0.40564E-02 ppm1      7.614 ppm2      4.456 CV     1
 ASSI { 1398}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 40   and name HN  ))
      3.300     1.400     1.400 peak  1398 spectrum    1 weight  0.10000E+01 volume  0.40564E-02 ppm1      9.308 ppm2      8.696 CV     1
 ASSI { 1399}
   (( segid " 1SG" and resid 6    and name HN  ))
   (( segid " 1SG" and resid 5    and name HN  ))
      2.000     0.500     0.500 peak  1399 spectrum    1 weight  0.10000E+01 volume  0.40584E-02 ppm1      8.450 ppm2      8.143 CV     1
 ASSI { 1400}
   (( segid " 1SG" and resid 8    and name HN  ))
   (( segid " 1SG" and resid 29   and name HN  ))
      3.000     1.100     1.100 peak  1400 spectrum    1 weight  0.10000E+01 volume  0.40584E-02 ppm1      9.053 ppm2      8.853 CV     1
 ASSI { 1401}
   (( segid " 1SG" and resid 7    and name HN  ))
   (( segid " 1SG" and resid 8    and name HN  ))
      3.000     1.100     1.100 peak  1401 spectrum    1 weight  0.10000E+01 volume  0.40584E-02 ppm1      8.874 ppm2      9.052 CV     1
 ASSI { 1403}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 103  and name HN  ))
      3.300     1.400     1.400 peak  1403 spectrum    1 weight  0.10000E+01 volume  0.40584E-02 ppm1      8.312 ppm2      9.240 CV     1
 ASSI { 1407}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 50   and name HN  ))
      3.300     1.300     1.300 peak  1407 spectrum    1 weight  0.10000E+01 volume  0.40584E-02 ppm1      7.786 ppm2      8.941 CV     1
 ASSI { 1408}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 51   and name HN  ))
      3.300     1.400     1.400 peak  1408 spectrum    1 weight  0.10000E+01 volume  0.40584E-02 ppm1      6.764 ppm2      7.881 CV     1
 ASSI { 1409}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 51   and name HA  ))
      2.900     1.100     1.100 peak  1409 spectrum    1 weight  0.10000E+01 volume  0.40584E-02 ppm1      7.784 ppm2      4.557 CV     1
 ASSI { 1411}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 58   and name HN  ))
      3.100     1.200     1.200 peak  1411 spectrum    1 weight  0.10000E+01 volume  0.40584E-02 ppm1      7.198 ppm2      8.954 CV     1
 ASSI { 1412}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 60   and name HN  ))
      3.200     1.300     1.300 peak  1412 spectrum    1 weight  0.10000E+01 volume  0.40584E-02 ppm1      9.151 ppm2      8.693 CV     1
 ASSI { 1413}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 64   and name HN  ))
      3.200     1.300     1.300 peak  1413 spectrum    1 weight  0.10000E+01 volume  0.40584E-02 ppm1      8.305 ppm2      7.754 CV     1
 ASSI { 1414}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 70   and name HN  ))
      3.100     1.200     1.200 peak  1414 spectrum    1 weight  0.10000E+01 volume  0.40584E-02 ppm1      8.724 ppm2      9.271 CV     1
 ASSI { 1417}
   (( segid " 1SG" and resid 72   and name HN  ))
   (( segid " 1SG" and resid 28   and name HN  ))
      3.400     1.400     1.400 peak  1417 spectrum    1 weight  0.10000E+01 volume  0.40584E-02 ppm1      9.295 ppm2      9.670 CV     1
 ASSI { 1419}
   (( segid " 1SG" and resid 76   and name HN  ))
   (( segid " 1SG" and resid 76   and name HA  ))
      2.500     0.800     0.800 peak  1419 spectrum    1 weight  0.10000E+01 volume  0.40584E-02 ppm1      8.925 ppm2      4.988 CV     1
 ASSI { 1420}
   (( segid " 1SG" and resid 84   and name HN  ))
   (( segid " 1SG" and resid 83   and name HA  ))
      2.700     0.900     0.900 peak  1420 spectrum    1 weight  0.10000E+01 volume  0.40584E-02 ppm1      7.866 ppm2      4.601 CV     1
 ASSI { 1422}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 100  and name HN  ))
      2.700     0.900     0.900 peak  1422 spectrum    1 weight  0.10000E+01 volume  0.40584E-02 ppm1      8.979 ppm2      8.906 CV     1
 ASSI { 1423}
   (( segid " 1SG" and resid 91   and name HN  ))
   (( segid " 1SG" and resid 91   and name HA  ))
      2.500     0.800     0.800 peak  1423 spectrum    1 weight  0.10000E+01 volume  0.40584E-02 ppm1      8.474 ppm2      4.739 CV     1
 ASSI { 1424}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 97   and name HN  ))
      3.100     1.200     1.200 peak  1424 spectrum    1 weight  0.10000E+01 volume  0.40584E-02 ppm1      7.549 ppm2      8.059 CV     1
 ASSI { 1426}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 15   and name HA  ))
      2.600     0.800     0.800 peak  1426 spectrum    1 weight  0.10000E+01 volume  0.40584E-02 ppm1      8.399 ppm2      5.489 CV     1
 ASSI { 1428}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 104  and name HN  ))
      3.100     1.200     1.200 peak  1428 spectrum    1 weight  0.10000E+01 volume  0.40584E-02 ppm1      8.400 ppm2      8.792 CV     1
 ASSI { 1429}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 105  and name HN  ))
      3.000     1.200     1.200 peak  1429 spectrum    1 weight  0.10000E+01 volume  0.40584E-02 ppm1      8.150 ppm2      8.402 CV     1
 ASSI { 1430}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 85   and name HN  ))
      3.100     1.200     1.200 peak  1430 spectrum    1 weight  0.10000E+01 volume  0.40584E-02 ppm1      8.149 ppm2      9.408 CV     1
 ASSI { 1434}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 65   and name HA  ))
      3.100     1.200     1.200 peak  1434 spectrum    1 weight  0.10000E+01 volume  0.40584E-02 ppm1      6.900 ppm2      3.449 CV     1
 ASSI { 1435}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 78   and name HN  ))
      3.900     1.900     1.900 peak  1435 spectrum    1 weight  0.10000E+01 volume  0.40584E-02 ppm1      8.889 ppm2      8.054 CV     1
 ASSI { 1437}
   (( segid " 1SG" and resid 19   and name HN  ))
   (( segid " 1SG" and resid 20   and name HA1 ))
      3.800     1.800     1.800 peak  1437 spectrum    1 weight  0.10000E+01 volume  0.40584E-02 ppm1      9.827 ppm2      3.729 CV     1
 ASSI { 1438}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 37   and name HA  ))
      3.300     1.300     1.300 peak  1438 spectrum    1 weight  0.10000E+01 volume  0.40584E-02 ppm1      8.735 ppm2      4.487 CV     1
 ASSI { 1439}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 39   and name HA  ))
      3.300     1.300     1.300 peak  1439 spectrum    1 weight  0.10000E+01 volume  0.40584E-02 ppm1      8.735 ppm2      4.801 CV     1
 ASSI { 1440}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 43   and name HA  ))
      3.000     1.100     1.100 peak  1440 spectrum    1 weight  0.10000E+01 volume  0.40584E-02 ppm1      9.108 ppm2      4.132 CV     1
 ASSI { 1441}
   (( segid " 1SG" and resid 86   and name HN  ))
   (( segid " 1SG" and resid 103  and name HA  ))
      3.100     1.200     1.200 peak  1441 spectrum    1 weight  0.10000E+01 volume  0.40584E-02 ppm1      7.948 ppm2      5.544 CV     1
 ASSI { 1442}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 48   and name HA  ))
      2.700     0.900     0.900 peak  1442 spectrum    1 weight  0.10000E+01 volume  0.40584E-02 ppm1      8.628 ppm2      4.192 CV     1
 ASSI { 1443}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 86   and name HA2 ))
      3.100     1.200     1.200 peak  1443 spectrum    1 weight  0.10000E+01 volume  0.40584E-02 ppm1      8.796 ppm2      4.658 CV     1
 ASSI { 1445}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 102  and name HA  ))
      3.100     1.200     1.200 peak  1445 spectrum    1 weight  0.10000E+01 volume  0.40584E-02 ppm1      8.313 ppm2      4.987 CV     1
 ASSI { 1446}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 9    and name HB2 ))
      2.900     1.000     1.000 peak  1446 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      7.887 ppm2      1.892 CV     1
 ASSI { 1447}
   (( segid " 1SG" and resid 80   and name HN  ))
   (( segid " 1SG" and resid 80   and name HB2 ))
      2.600     0.800     0.800 peak  1447 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      5.579 ppm2      1.960 CV     1
 OR { 1447}
   (( segid " 1SG" and resid 80   and name HN  ))
   (( segid " 1SG" and resid 80   and name HB1 ))
 ASSI { 1448}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 23   and name HN  ))
      3.200     1.200     1.200 peak  1448 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      9.239 ppm2      7.917 CV     1
 ASSI { 1449}
   (( segid " 1SG" and resid 42   and name HN  ))
   (( segid " 1SG" and resid 41   and name HD1 ))
      3.700     3.700     2.300 peak  1449 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      9.447 ppm2      7.131 CV     1
 ASSI { 1452}
   (( segid " 1SG" and resid 56   and name HN  ))
   (( segid " 1SG" and resid 56   and name HB2 ))
      3.300     1.400     1.400 peak  1452 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      8.383 ppm2      3.101 CV     1
 ASSI { 1453}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 103  and name HB2 ))
      3.300     3.300     2.700 peak  1453 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      9.184 ppm2      2.498 CV     1
 ASSI { 1455}
   (( segid " 1SG" and resid 86   and name HN  ))
   (  segid " 1SG" and resid 87   and name HD% )
      3.000     1.100     1.100 peak  1455 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      7.948 ppm2      6.794 CV     1
 ASSI { 1456}
   (( segid " 1SG" and resid 86   and name HN  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      3.100     3.100     2.900 peak  1456 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      7.946 ppm2      1.498 CV     1
 ASSI { 1458}
   (( segid " 1SG" and resid 5    and name HN  ))
   (( segid " 1SG" and resid 96   and name HB2 ))
      3.500     1.600     1.600 peak  1458 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      8.144 ppm2      1.572 CV     1
 ASSI { 1459}
   (( segid " 1SG" and resid 5    and name HN  ))
   (( segid " 1SG" and resid 4    and name HG12))
      3.600     1.600     1.600 peak  1459 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      8.143 ppm2      1.230 CV     1
 ASSI { 1460}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 64   and name HB2 ))
      2.700     0.900     0.900 peak  1460 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      7.421 ppm2      2.339 CV     1
 ASSI { 1461}
   (( segid " 1SG" and resid 20   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.600     1.600     1.600 peak  1461 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      8.824 ppm2      0.376 CV     1
 ASSI { 1462}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 18   and name HN  ))
      3.200     3.200     2.800 peak  1462 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      8.828 ppm2      8.005 CV     1
 ASSI { 1463}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 63   and name HN  ))
      3.400     1.400     1.400 peak  1463 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      8.848 ppm2      8.521 CV     1
 ASSI { 1465}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 95   and name HB2 ))
      2.600     0.800     0.800 peak  1465 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      7.971 ppm2      2.631 CV     1
 ASSI { 1466}
   (( segid " 1SG" and resid 95   and name HN  ))
   (  segid " 1SG" and resid 93   and name HG2%)
      2.100     2.100     3.900 peak  1466 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      7.969 ppm2      1.024 CV     1
 ASSI { 1468}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 80   and name HG1 ))
      2.900     1.000     1.000 peak  1468 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      8.254 ppm2      2.168 CV     1
 OR { 1468}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 80   and name HG2 ))
 ASSI { 1469}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 106  and name HB  ))
      3.400     1.400     1.400 peak  1469 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      8.253 ppm2      1.861 CV     1
 ASSI { 1471}
   (( segid " 1SG" and resid 83   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.400     1.400     1.400 peak  1471 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      8.254 ppm2      0.372 CV     1
 ASSI { 1472}
   (( segid " 1SG" and resid 93   and name HN  ))
   (  segid " 1SG" and resid 97   and name HD% )
      3.300     1.400     1.400 peak  1472 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      8.557 ppm2      7.094 CV     1
 ASSI { 1473}
   (( segid " 1SG" and resid 93   and name HN  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      3.000     1.100     1.100 peak  1473 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      8.557 ppm2      0.177 CV     1
 ASSI { 1476}
   (( segid " 1SG" and resid 85   and name HN  ))
   (( segid " 1SG" and resid 104  and name HB2 ))
      3.500     1.500     1.500 peak  1476 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      9.406 ppm2      1.227 CV     1
 ASSI { 1477}
   (( segid " 1SG" and resid 85   and name HN  ))
   (( segid " 1SG" and resid 103  and name HA  ))
      3.600     1.600     1.600 peak  1477 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      9.405 ppm2      5.536 CV     1
 ASSI { 1478}
   (( segid " 1SG" and resid 25   and name HN  ))
   (  segid " 1SG" and resid 23   and name HG2%)
      3.200     1.200     1.200 peak  1478 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      8.401 ppm2      0.771 CV     1
 ASSI { 1480}
   (( segid " 1SG" and resid 44   and name HN  ))
   (  segid " 1SG" and resid 87   and name HD% )
      2.800     1.000     1.000 peak  1480 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      8.211 ppm2      6.801 CV     1
 ASSI { 1484}
   (( segid " 1SG" and resid 51   and name HN  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      3.100     1.200     1.200 peak  1484 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      7.879 ppm2      1.071 CV     1
 ASSI { 1485}
   (( segid " 1SG" and resid 51   and name HN  ))
   (( segid " 1SG" and resid 52   and name HB2 ))
      3.800     1.800     1.800 peak  1485 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      7.881 ppm2      1.710 CV     1
 ASSI { 1486}
   (( segid " 1SG" and resid 7    and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.600     1.700     1.700 peak  1486 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      8.875 ppm2      0.469 CV     1
 ASSI { 1488}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 48   and name HB2 ))
      3.000     1.100     1.100 peak  1488 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      8.940 ppm2      2.935 CV     1
 ASSI { 1489}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 51   and name HA  ))
      3.500     1.500     1.500 peak  1489 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      8.941 ppm2      4.555 CV     1
 ASSI { 1490}
   (( segid " 1SG" and resid 69   and name HN  ))
   (  segid " 1SG" and resid 63   and name HD% )
      3.100     3.100     2.900 peak  1490 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      6.899 ppm2      5.903 CV     1
 ASSI { 1491}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 67   and name HA  ))
      3.400     1.400     1.400 peak  1491 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      6.897 ppm2      4.292 CV     1
 ASSI { 1494}
   (( segid " 1SG" and resid 83   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      3.500     1.600     1.600 peak  1494 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      8.257 ppm2      1.183 CV     1
 ASSI { 1495}
   (( segid " 1SG" and resid 70   and name HN  ))
   (  segid " 1SG" and resid 28   and name HG2%)
      3.300     1.400     1.400 peak  1495 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      9.272 ppm2      0.629 CV     1
 ASSI { 1497}
   (( segid " 1SG" and resid 70   and name HN  ))
   (  segid " 1SG" and resid 70   and name HE% )
      3.200     1.300     1.300 peak  1497 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      9.270 ppm2      6.632 CV     1
 ASSI { 1498}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 100  and name HN  ))
      3.300     1.400     1.400 peak  1498 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      9.228 ppm2      8.896 CV     1
 ASSI { 1499}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 98   and name HN  ))
      3.300     1.400     1.400 peak  1499 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      9.228 ppm2      8.427 CV     1
 ASSI { 1501}
   (( segid " 1SG" and resid 80   and name HN  ))
   (  segid " 1SG" and resid 83   and name HE% )
      2.800     1.000     1.000 peak  1501 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      5.580 ppm2      7.264 CV     1
 ASSI { 1503}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 34   and name HN  ))
      2.600     0.800     0.800 peak  1503 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      7.510 ppm2      8.687 CV     1
 ASSI { 1504}
   (( segid " 1SG" and resid 92   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.300     1.400     1.400 peak  1504 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      8.734 ppm2      0.473 CV     1
 ASSI { 1505}
   (( segid " 1SG" and resid 92   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG1%)
      2.100     2.100     3.900 peak  1505 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      8.735 ppm2     -0.083 CV     1
 ASSI { 1507}
   (( segid " 1SG" and resid 42   and name HN  ))
   (  segid " 1SG" and resid 49   and name HD2%)
      3.400     1.500     1.500 peak  1507 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      9.445 ppm2      1.011 CV     1
 ASSI { 1510}
   (( segid " 1SG" and resid 42   and name HN  ))
   (( segid " 1SG" and resid 41   and name HB2 ))
      3.300     1.400     1.400 peak  1510 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      9.448 ppm2      3.149 CV     1
 ASSI { 1511}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 103  and name HD21))
      2.900     1.000     1.000 peak  1511 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      9.241 ppm2      7.722 CV     1
 ASSI { 1513}
   (( segid " 1SG" and resid 79   and name HN  ))
   (  segid " 1SG" and resid 83   and name HE% )
      3.500     3.500     2.500 peak  1513 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      8.973 ppm2      7.265 CV     1
 ASSI { 1514}
   (( segid " 1SG" and resid 79   and name HN  ))
   (  segid " 1SG" and resid 83   and name HD% )
      3.700     1.700     1.700 peak  1514 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      8.973 ppm2      7.109 CV     1
 ASSI { 1515}
   (( segid " 1SG" and resid 79   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.200     1.200     1.200 peak  1515 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      8.973 ppm2      0.382 CV     1
 ASSI { 1518}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HD1 ))
      3.600     1.600     1.600 peak  1518 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      8.896 ppm2      3.106 CV     1
 OR { 1518}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HD2 ))
 ASSI { 1519}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 9    and name HG2 ))
      3.300     1.400     1.400 peak  1519 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      8.892 ppm2      2.504 CV     1
 ASSI { 1520}
   (( segid " 1SG" and resid 100  and name HN  ))
   (( segid " 1SG" and resid 89   and name HB2 ))
      3.000     1.100     1.100 peak  1520 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      8.895 ppm2      2.307 CV     1
 ASSI { 1521}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HG2 ))
      2.600     0.800     0.800 peak  1521 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      8.890 ppm2      1.675 CV     1
 OR { 1521}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HG1 ))
 ASSI { 1522}
   (( segid " 1SG" and resid 27   and name HN  ))
   (  segid " 1SG" and resid 28   and name HG2%)
      2.800     2.800     3.200 peak  1522 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      8.891 ppm2      0.632 CV     1
 ASSI { 1523}
   (( segid " 1SG" and resid 94   and name HN  ))
   (( segid " 1SG" and resid 93   and name HB  ))
      2.600     0.900     0.900 peak  1523 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      8.338 ppm2      4.555 CV     1
 ASSI { 1526}
   (( segid " 1SG" and resid 17   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.100     3.100     2.900 peak  1526 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      7.898 ppm2      0.371 CV     1
 ASSI { 1527}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 61   and name HB2 ))
      2.100     2.100     3.900 peak  1527 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      9.450 ppm2      2.295 CV     1
 ASSI { 1530}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 60   and name HA  ))
      3.100     1.200     1.200 peak  1530 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      9.450 ppm2      5.073 CV     1
 ASSI { 1534}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 16   and name HB  ))
      3.400     3.400     2.600 peak  1534 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      8.502 ppm2      1.802 CV     1
 ASSI { 1535}
   (( segid " 1SG" and resid 38   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG2%)
      3.100     1.200     1.200 peak  1535 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      8.374 ppm2     -0.453 CV     1
 ASSI { 1537}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 68   and name HA  ))
      3.700     1.800     1.800 peak  1537 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      8.106 ppm2      3.600 CV     1
 ASSI { 1538}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 65   and name HD2 ))
      3.300     1.400     1.400 peak  1538 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      8.106 ppm2      3.228 CV     1
 OR { 1538}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 65   and name HD1 ))
 ASSI { 1539}
   (( segid " 1SG" and resid 84   and name HN  ))
   (  segid " 1SG" and resid 83   and name HD% )
      3.600     1.600     1.600 peak  1539 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      7.866 ppm2      7.112 CV     1
 ASSI { 1540}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 74   and name HA  ))
      3.400     1.400     1.400 peak  1540 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      8.940 ppm2      4.324 CV     1
 ASSI { 1542}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 22   and name HG12))
      3.500     1.500     1.500 peak  1542 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      8.888 ppm2      0.075 CV     1
 ASSI { 1543}
   (( segid " 1SG" and resid 104  and name HN  ))
   (  segid " 1SG" and resid 106  and name HG1%)
      3.400     3.400     2.600 peak  1543 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      8.793 ppm2      0.667 CV     1
 ASSI { 1549}
   (( segid " 1SG" and resid 26   and name HN  ))
   (( segid " 1SG" and resid 27   and name HN  ))
      3.100     1.200     1.200 peak  1549 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      9.498 ppm2      8.892 CV     1
 ASSI { 1550}
   (( segid " 1SG" and resid 26   and name HN  ))
   (  segid " 1SG" and resid 72   and name HD% )
      3.600     1.600     1.600 peak  1550 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      9.498 ppm2      7.311 CV     1
 ASSI { 1551}
   (( segid " 1SG" and resid 26   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD2%)
      3.600     1.600     1.600 peak  1551 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      9.495 ppm2      0.760 CV     1
 ASSI { 1552}
   (( segid " 1SG" and resid 41   and name HN  ))
   (  segid " 1SG" and resid 49   and name HD2%)
      3.900     1.900     1.900 peak  1552 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      9.306 ppm2      1.018 CV     1
 ASSI { 1553}
   (( segid " 1SG" and resid 41   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD1%)
      3.200     1.300     1.300 peak  1553 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      9.307 ppm2      0.856 CV     1
 ASSI { 1554}
   (( segid " 1SG" and resid 41   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD2%)
      3.600     1.600     1.600 peak  1554 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      9.307 ppm2      0.688 CV     1
 ASSI { 1555}
   (( segid " 1SG" and resid 41   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG1%)
      3.000     3.000     3.000 peak  1555 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      9.308 ppm2     -0.081 CV     1
 ASSI { 1557}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 74   and name HB2 ))
      2.300     0.600     0.600 peak  1557 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      9.237 ppm2     -0.838 CV     1
 ASSI { 1560}
   (( segid " 1SG" and resid 76   and name HN  ))
   (  segid " 1SG" and resid 76   and name HD1%)
      3.300     1.400     1.400 peak  1560 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      8.926 ppm2      0.649 CV     1
 ASSI { 1561}
   (( segid " 1SG" and resid 76   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD1%)
      3.500     1.600     1.600 peak  1561 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      8.926 ppm2      0.405 CV     1
 ASSI { 1563}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 90   and name HB2 ))
      3.300     1.400     1.400 peak  1563 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      8.696 ppm2      2.025 CV     1
 ASSI { 1564}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 40   and name HD2 ))
      3.600     1.600     1.600 peak  1564 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      8.694 ppm2      1.685 CV     1
 OR { 1564}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 40   and name HD1 ))
 ASSI { 1565}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 40   and name HG2 ))
      2.300     0.700     0.700 peak  1565 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      8.694 ppm2      1.238 CV     1
 OR { 1565}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 40   and name HG1 ))
 ASSI { 1566}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 41   and name HH2 ))
      2.800     2.800     3.200 peak  1566 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      8.470 ppm2      6.611 CV     1
 ASSI { 1568}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 24   and name HB2 ))
      2.900     2.900     3.100 peak  1568 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      8.469 ppm2      2.408 CV     1
 ASSI { 1570}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 75   and name HN  ))
      3.300     1.400     1.400 peak  1570 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      8.471 ppm2      9.160 CV     1
 ASSI { 1572}
   (( segid " 1SG" and resid 8    and name HN  ))
   (  segid " 1SG" and resid 28   and name HG1%)
      3.300     1.300     1.300 peak  1572 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      9.052 ppm2      0.818 CV     1
 ASSI { 1573}
   (( segid " 1SG" and resid 8    and name HN  ))
   (  segid " 1SG" and resid 29   and name HB% )
      3.800     1.800     1.800 peak  1573 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      9.052 ppm2      1.513 CV     1
 ASSI { 1574}
   (( segid " 1SG" and resid 8    and name HN  ))
   (( segid " 1SG" and resid 7    and name HB2 ))
      3.500     1.500     1.500 peak  1574 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      9.052 ppm2      2.577 CV     1
 ASSI { 1576}
   (( segid " 1SG" and resid 87   and name HN  ))
   (  segid " 1SG" and resid 87   and name HE% )
      3.500     1.500     1.500 peak  1576 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      9.114 ppm2      6.589 CV     1
 ASSI { 1577}
   (( segid " 1SG" and resid 31   and name HN  ))
   (( segid " 1SG" and resid 29   and name HA  ))
      3.000     1.100     1.100 peak  1577 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      8.417 ppm2      4.392 CV     1
 ASSI { 1578}
   (( segid " 1SG" and resid 31   and name HN  ))
   (( segid " 1SG" and resid 30   and name HA1 ))
      2.400     0.700     0.700 peak  1578 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      8.418 ppm2      3.945 CV     1
 ASSI { 1579}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 62   and name HA  ))
      3.500     1.500     1.500 peak  1579 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      8.722 ppm2      4.598 CV     1
 ASSI { 1582}
   (( segid " 1SG" and resid 10   and name HN  ))
   (( segid " 1SG" and resid 9    and name HB2 ))
      3.500     1.500     1.500 peak  1582 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      8.852 ppm2      1.895 CV     1
 ASSI { 1583}
   (( segid " 1SG" and resid 10   and name HN  ))
   (( segid " 1SG" and resid 100  and name HB2 ))
      3.500     3.500     2.500 peak  1583 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      8.852 ppm2      2.963 CV     1
 ASSI { 1584}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (( segid " 1SG" and resid 41   and name HH2 ))
      3.600     1.600     1.600 peak  1584 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1     10.779 ppm2      6.612 CV     1
 ASSI { 1585}
   (( segid " 1SG" and resid 21   and name HN  ))
   (( segid " 1SG" and resid 21   and name HB2 ))
      3.000     1.100     1.100 peak  1585 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      8.170 ppm2      3.751 CV     1
 ASSI { 1587}
   (( segid " 1SG" and resid 23   and name HN  ))
   (  segid " 1SG" and resid 22   and name HG2%)
      3.300     1.400     1.400 peak  1587 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      7.913 ppm2      0.580 CV     1
 ASSI { 1588}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      2.600     2.600     3.400 peak  1588 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      9.673 ppm2      2.815 CV     1
 ASSI { 1589}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 37   and name HB2 ))
      3.000     1.100     1.100 peak  1589 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      7.892 ppm2      1.363 CV     1
 OR { 1589}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 37   and name HG2 ))
 ASSI { 1590}
   (( segid " 1SG" and resid 39   and name HN  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      3.300     1.400     1.400 peak  1590 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1      7.893 ppm2      0.175 CV     1
 ASSI { 1592}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 93   and name HB  ))
      2.700     0.900     0.900 peak  1592 spectrum    1 weight  0.10000E+01 volume  0.40669E-02 ppm1      7.547 ppm2      4.555 CV     1
 ASSI { 1593}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 95   and name HB2 ))
      3.400     1.400     1.400 peak  1593 spectrum    1 weight  0.10000E+01 volume  0.40669E-02 ppm1      7.546 ppm2      2.632 CV     1
 ASSI { 1595}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 95   and name HA  ))
      2.800     1.000     1.000 peak  1595 spectrum    1 weight  0.10000E+01 volume  0.40669E-02 ppm1      7.548 ppm2      4.750 CV     1
 ASSI { 1596}
   (( segid " 1SG" and resid 98   and name HN  ))
   (( segid " 1SG" and resid 7    and name HB2 ))
      3.200     3.200     2.800 peak  1596 spectrum    1 weight  0.10000E+01 volume  0.40669E-02 ppm1      8.415 ppm2      2.581 CV     1
 ASSI { 1597}
   (( segid " 1SG" and resid 101  and name HN  ))
   (( segid " 1SG" and resid 100  and name HB2 ))
      2.700     0.900     0.900 peak  1597 spectrum    1 weight  0.10000E+01 volume  0.40669E-02 ppm1      9.044 ppm2      2.950 CV     1
 ASSI { 1598}
   (( segid " 1SG" and resid 105  and name HN  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      3.300     1.400     1.400 peak  1598 spectrum    1 weight  0.10000E+01 volume  0.40669E-02 ppm1      8.401 ppm2      1.492 CV     1
 ASSI { 1599}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 15   and name HG1 ))
      3.100     1.200     1.200 peak  1599 spectrum    1 weight  0.10000E+01 volume  0.40669E-02 ppm1      8.404 ppm2      2.261 CV     1
 OR { 1599}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 15   and name HG2 ))
 ASSI { 1600}
   (( segid " 1SG" and resid 98   and name HN  ))
   (( segid " 1SG" and resid 91   and name HA  ))
      2.100     2.100     3.900 peak  1600 spectrum    1 weight  0.10000E+01 volume  0.40669E-02 ppm1      8.399 ppm2      4.758 CV     1
 ASSI { 1602}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 105  and name HB  ))
      3.100     1.200     1.200 peak  1602 spectrum    1 weight  0.10000E+01 volume  0.40669E-02 ppm1      8.150 ppm2      3.935 CV     1
 ASSI { 1603}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 106  and name HB  ))
      3.600     1.700     1.700 peak  1603 spectrum    1 weight  0.10000E+01 volume  0.40669E-02 ppm1      8.820 ppm2      1.850 CV     1
 ASSI { 1605}
   (( segid " 1SG" and resid 38   and name HN  ))
   (  segid " 1SG" and resid 38   and name HG2%)
      2.600     0.900     0.900 peak  1605 spectrum    1 weight  0.10000E+01 volume  0.40669E-02 ppm1      8.373 ppm2      0.790 CV     1
 ASSI { 1606}
   (( segid " 1SG" and resid 19   and name HN  ))
   (( segid " 1SG" and resid 19   and name HA2 ))
      2.600     0.800     0.800 peak  1606 spectrum    1 weight  0.10000E+01 volume  0.40669E-02 ppm1      9.828 ppm2      4.311 CV     1
 ASSI { 1608}
   (( segid " 1SG" and resid 85   and name HN  ))
   (  segid " 1SG" and resid 87   and name HD% )
      3.400     3.400     2.600 peak  1608 spectrum    1 weight  0.10000E+01 volume  0.40669E-02 ppm1      9.409 ppm2      6.792 CV     1
 ASSI { 1609}
   (( segid " 1SG" and resid 101  and name HD21))
   (( segid " 1SG" and resid 101  and name HB2 ))
      2.800     1.000     1.000 peak  1609 spectrum    1 weight  0.10000E+01 volume  0.40669E-02 ppm1      7.436 ppm2      2.696 CV     1
 ASSI { 1613}
   (( segid " 1SG" and resid 28   and name HN  ))
   (  segid " 1SG" and resid 72   and name HD% )
      3.000     1.100     1.100 peak  1613 spectrum    1 weight  0.10000E+01 volume  0.40688E-02 ppm1      9.673 ppm2      7.309 CV     1
 ASSI { 1614}
   (( segid " 1SG" and resid 68   and name HN  ))
   (( segid " 1SG" and resid 66   and name HA  ))
      3.200     1.300     1.300 peak  1614 spectrum    1 weight  0.10000E+01 volume  0.40669E-02 ppm1      7.876 ppm2      4.125 CV     1
 ASSI {    1}
   (( segid " 1SG" and resid 43   and name HD2 ))
   (( segid " 1SG" and resid 43   and name HG2 ))
      2.100     0.500     0.500 peak     1 spectrum    1 weight  0.10000E+01 volume  0.10103E-01 ppm1      1.317 ppm2      0.086 CV     1
 OR {    1}
   (( segid " 1SG" and resid 43   and name HD1 ))
   (( segid " 1SG" and resid 43   and name HG2 ))
 ASSI {    2}
   (( segid " 1SG" and resid 41   and name HA  ))
   (( segid " 1SG" and resid 89   and name HA  ))
      2.000     0.500     0.500 peak     2 spectrum    1 weight  0.10000E+01 volume  0.10107E-01 ppm1      5.478 ppm2      4.971 CV     1
 ASSI {   16}
   (( segid " 1SG" and resid 65   and name HG1 ))
   (( segid " 1SG" and resid 65   and name HB1 ))
      2.000     0.500     0.500 peak    16 spectrum    1 weight  0.10000E+01 volume  0.10111E-01 ppm1      1.688 ppm2      1.765 CV     1
 OR {   16}
   (( segid " 1SG" and resid 65   and name HG2 ))
   (( segid " 1SG" and resid 65   and name HB1 ))
 OR {   16}
   (( segid " 1SG" and resid 65   and name HG1 ))
   (( segid " 1SG" and resid 65   and name HB2 ))
 OR {   16}
   (( segid " 1SG" and resid 65   and name HG2 ))
   (( segid " 1SG" and resid 65   and name HB2 ))
 ASSI {   41}
   (( segid " 1SG" and resid 41   and name HA  ))
   (( segid " 1SG" and resid 90   and name HB2 ))
      2.400     2.400     3.600 peak    41 spectrum    1 weight  0.10000E+01 volume  0.99686E-02 ppm1      5.495 ppm2      2.057 CV     1
 ASSI {   98}
   (( segid " 1SG" and resid 87   and name HA  ))
   (( segid " 1SG" and resid 43   and name HA  ))
      2.000     0.500     0.500 peak    98 spectrum    1 weight  0.10000E+01 volume  0.99686E-02 ppm1      4.980 ppm2      4.145 CV     1
 ASSI {  113}
   (( segid " 1SG" and resid 61   and name HA  ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      2.600     2.600     3.400 peak   113 spectrum    1 weight  0.10000E+01 volume  0.99686E-02 ppm1      5.518 ppm2      2.821 CV     1
 ASSI {  131}
   (( segid " 1SG" and resid 1    and name HA  ))
   (( segid " 1SG" and resid 97   and name HB2 ))
      2.300     2.300     3.700 peak   131 spectrum    1 weight  0.10000E+01 volume  0.99856E-02 ppm1      4.624 ppm2      2.693 CV     1
 ASSI {  155}
   (( segid " 1SG" and resid 9    and name HA  ))
   (( segid " 1SG" and resid 9    and name HG2 ))
      2.400     0.700     0.700 peak   155 spectrum    1 weight  0.10000E+01 volume  0.99853E-02 ppm1      4.653 ppm2      2.522 CV     1
 ASSI {  159}
   (  segid " 1SG" and resid 93   and name HG2%)
   (( segid " 1SG" and resid 37   and name HA  ))
      1.900     0.400     0.400 peak   159 spectrum    1 weight  0.10000E+01 volume  0.10087E-01 ppm1      1.041 ppm2      4.505 CV     1
 ASSI {  174}
   (( segid " 1SG" and resid 72   and name HB2 ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      2.100     2.100     3.900 peak   174 spectrum    1 weight  0.10000E+01 volume  0.27701E-01 ppm1      2.926 ppm2      2.791 CV     1
 ASSI {  175}
   (( segid " 1SG" and resid 32   and name HA  ))
   (( segid " 1SG" and resid 32   and name HB2 ))
      2.200     0.600     0.600 peak   175 spectrum    1 weight  0.10000E+01 volume  0.99853E-02 ppm1      4.518 ppm2      3.914 CV     1
 OR {  175}
   (( segid " 1SG" and resid 32   and name HA  ))
   (( segid " 1SG" and resid 32   and name HB1 ))
 ASSI {  183}
   (( segid " 1SG" and resid 74   and name HA  ))
   (( segid " 1SG" and resid 59   and name HA  ))
      2.000     0.500     0.500 peak   183 spectrum    1 weight  0.10000E+01 volume  0.99853E-02 ppm1      4.344 ppm2      5.189 CV     1
 ASSI {  185}
   (( segid " 1SG" and resid 74   and name HA  ))
   (  segid " 1SG" and resid 74   and name HD2%)
      2.000     0.500     0.500 peak   185 spectrum    1 weight  0.10000E+01 volume  0.99853E-02 ppm1      4.326 ppm2      0.405 CV     1
 OR {  185}
   (( segid " 1SG" and resid 74   and name HA  ))
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI {  194}
   (( segid " 1SG" and resid 34   and name HA  ))
   (( segid " 1SG" and resid 34   and name HG  ))
      2.200     0.600     0.600 peak   194 spectrum    1 weight  0.10000E+01 volume  0.99891E-02 ppm1      4.298 ppm2      0.929 CV     1
 ASSI {  218}
   (( segid " 1SG" and resid 94   and name HD2 ))
   (( segid " 1SG" and resid 94   and name HG1 ))
      1.600     0.300     0.600 peak   218 spectrum    1 weight  0.10000E+01 volume  0.23418E-01 ppm1      1.680 ppm2      1.415 CV     1
 OR {  218}
   (( segid " 1SG" and resid 94   and name HD1 ))
   (( segid " 1SG" and resid 94   and name HG2 ))
 OR {  218}
   (( segid " 1SG" and resid 94   and name HD2 ))
   (( segid " 1SG" and resid 94   and name HG2 ))
 OR {  218}
   (( segid " 1SG" and resid 94   and name HD1 ))
   (( segid " 1SG" and resid 94   and name HG1 ))
 ASSI {  226}
   (( segid " 1SG" and resid 17   and name HA  ))
   (( segid " 1SG" and resid 107  and name HB1 ))
      2.000     0.500     0.500 peak   226 spectrum    1 weight  0.10000E+01 volume  0.99957E-02 ppm1      4.795 ppm2      3.074 CV     1
 OR {  226}
   (( segid " 1SG" and resid 17   and name HA  ))
   (( segid " 1SG" and resid 107  and name HB2 ))
 ASSI {  253}
   (( segid " 1SG" and resid 55   and name HG1 ))
   (( segid " 1SG" and resid 55   and name HB2 ))
      2.000     0.500     0.500 peak   253 spectrum    1 weight  0.10000E+01 volume  0.19383E-01 ppm1      1.989 ppm2      1.788 CV     1
 OR {  253}
   (( segid " 1SG" and resid 55   and name HG2 ))
   (( segid " 1SG" and resid 55   and name HB2 ))
 ASSI {  282}
   (  segid " 1SG" and resid 84   and name HG2%)
   (( segid " 1SG" and resid 84   and name HB  ))
      2.000     0.500     0.500 peak   282 spectrum    1 weight  0.10000E+01 volume  0.16500E-01 ppm1      1.497 ppm2      4.224 CV     1
 OR {  282}
   (  segid " 1SG" and resid 84   and name HG2%)
   (( segid " 1SG" and resid 84   and name HA  ))
 ASSI {  301}
   (( segid " 1SG" and resid 37   and name HD2 ))
   (  segid " 1SG" and resid 31   and name HB% )
      2.700     2.700     3.300 peak   301 spectrum    1 weight  0.10000E+01 volume  0.10006E-01 ppm1      2.366 ppm2      1.544 CV     1
 ASSI {  302}
   (  segid " 1SG" and resid 4    and name HD1%)
   (( segid " 1SG" and resid 4    and name HB  ))
      1.900     0.400     0.400 peak   302 spectrum    1 weight  0.10000E+01 volume  0.10006E-01 ppm1      0.966 ppm2      2.051 CV     1
 ASSI {  313}
   (  segid " 1SG" and resid 66   and name HB% )
   (( segid " 1SG" and resid 66   and name HA  ))
      2.100     0.500     0.500 peak   313 spectrum    1 weight  0.10000E+01 volume  0.13905E-01 ppm1      1.419 ppm2      4.132 CV     1
 ASSI {  328}
   (( segid " 1SG" and resid 34   and name HG  ))
   (  segid " 1SG" and resid 34   and name HD1%)
      2.100     0.600     0.600 peak   328 spectrum    1 weight  0.10000E+01 volume  0.10024E-01 ppm1      0.934 ppm2      0.862 CV     1
 OR {  328}
   (( segid " 1SG" and resid 34   and name HG  ))
   (  segid " 1SG" and resid 34   and name HD2%)
 ASSI {  335}
   (( segid " 1SG" and resid 3    and name HB1 ))
   (( segid " 1SG" and resid 4    and name HB  ))
      2.500     2.500     3.500 peak   335 spectrum    1 weight  0.10000E+01 volume  0.12664E-01 ppm1      2.299 ppm2      2.004 CV     1
 OR {  335}
   (( segid " 1SG" and resid 3    and name HB2 ))
   (( segid " 1SG" and resid 4    and name HB  ))
 ASSI {  336}
   (( segid " 1SG" and resid 68   and name HD2 ))
   (( segid " 1SG" and resid 68   and name HB2 ))
      2.100     0.600     0.600 peak   336 spectrum    1 weight  0.10000E+01 volume  0.10024E-01 ppm1      1.673 ppm2      1.771 CV     1
 OR {  336}
   (( segid " 1SG" and resid 68   and name HD1 ))
   (( segid " 1SG" and resid 68   and name HB2 ))
 ASSI {  342}
   (( segid " 1SG" and resid 36   and name HB2 ))
   (( segid " 1SG" and resid 36   and name HD2 ))
      2.300     2.300     3.700 peak   342 spectrum    1 weight  0.10000E+01 volume  0.10024E-01 ppm1      1.641 ppm2      3.510 CV     1
 ASSI {  345}
   (  segid " 1SG" and resid 69   and name HG1%)
   (( segid " 1SG" and resid 69   and name HB  ))
      2.000     0.500     0.500 peak   345 spectrum    1 weight  0.10000E+01 volume  0.12380E-01 ppm1      0.862 ppm2      1.752 CV     1
 OR {  345}
   (  segid " 1SG" and resid 69   and name HG2%)
   (( segid " 1SG" and resid 69   and name HB  ))
 ASSI {  349}
   (  segid " 1SG" and resid 82   and name HB% )
   (( segid " 1SG" and resid 82   and name HA  ))
      2.100     0.600     0.600 peak   349 spectrum    1 weight  0.10000E+01 volume  0.12122E-01 ppm1      1.321 ppm2      4.210 CV     1
 ASSI {  354}
   (( segid " 1SG" and resid 21   and name HB2 ))
   (( segid " 1SG" and resid 23   and name HB  ))
      2.200     2.200     3.800 peak   354 spectrum    1 weight  0.10000E+01 volume  0.11973E-01 ppm1      3.720 ppm2      3.604 CV     1
 ASSI {  356}
   (( segid " 1SG" and resid 104  and name HG  ))
   (( segid " 1SG" and resid 104  and name HB2 ))
      2.000     2.000     4.000 peak   356 spectrum    1 weight  0.10000E+01 volume  0.10024E-01 ppm1      1.339 ppm2      1.226 CV     1
 ASSI {  358}
   (( segid " 1SG" and resid 65   and name HD1 ))
   (( segid " 1SG" and resid 65   and name HG2 ))
      2.000     0.500     0.500 peak   358 spectrum    1 weight  0.10000E+01 volume  0.11844E-01 ppm1      3.238 ppm2      1.683 CV     1
 OR {  358}
   (( segid " 1SG" and resid 65   and name HD2 ))
   (( segid " 1SG" and resid 65   and name HG2 ))
 OR {  358}
   (( segid " 1SG" and resid 65   and name HD1 ))
   (( segid " 1SG" and resid 65   and name HG1 ))
 OR {  358}
   (( segid " 1SG" and resid 65   and name HD2 ))
   (( segid " 1SG" and resid 65   and name HG1 ))
 ASSI {  359}
   (( segid " 1SG" and resid 104  and name HG  ))
   (  segid " 1SG" and resid 104  and name HD2%)
      2.000     0.500     0.500 peak   359 spectrum    1 weight  0.10000E+01 volume  0.10024E-01 ppm1      1.342 ppm2      0.832 CV     1
 ASSI {  363}
   (  segid " 1SG" and resid 8    and name HG1%)
   (( segid " 1SG" and resid 8    and name HB  ))
      2.000     0.500     0.500 peak   363 spectrum    1 weight  0.10000E+01 volume  0.11699E-01 ppm1      0.979 ppm2      1.824 CV     1
 OR {  363}
   (  segid " 1SG" and resid 8    and name HG2%)
   (( segid " 1SG" and resid 8    and name HB  ))
 ASSI {  364}
   (( segid " 1SG" and resid 59   and name HG  ))
   (  segid " 1SG" and resid 59   and name HD2%)
      2.000     0.500     0.500 peak   364 spectrum    1 weight  0.10000E+01 volume  0.10024E-01 ppm1      1.424 ppm2      0.682 CV     1
 ASSI {  367}
   (  segid " 1SG" and resid 28   and name HG1%)
   (  segid " 1SG" and resid 6    and name HD1%)
      2.100     0.600     0.600 peak   367 spectrum    1 weight  0.10000E+01 volume  0.11624E-01 ppm1      0.815 ppm2      0.666 CV     1
 ASSI {  375}
   (( segid " 1SG" and resid 4    and name HG12))
   (  segid " 1SG" and resid 4    and name HG2%)
      1.900     0.400     0.400 peak   375 spectrum    1 weight  0.10000E+01 volume  0.10024E-01 ppm1      1.245 ppm2      0.917 CV     1
 ASSI {  377}
   (  segid " 1SG" and resid 71   and name HD2%)
   (  segid " 1SG" and resid 71   and name HD1%)
      2.100     0.500     0.500 peak   377 spectrum    1 weight  0.10000E+01 volume  0.11342E-01 ppm1      0.746 ppm2      0.857 CV     1
 ASSI {  384}
   (( segid " 1SG" and resid 81   and name HD2 ))
   (  segid " 1SG" and resid 18   and name HG1%)
      2.800     1.000     1.000 peak   384 spectrum    1 weight  0.10000E+01 volume  0.10027E-01 ppm1      3.587 ppm2      0.967 CV     1
 OR {  384}
   (( segid " 1SG" and resid 81   and name HD2 ))
   (  segid " 1SG" and resid 18   and name HG2%)
 ASSI {  385}
   (( segid " 1SG" and resid 71   and name HB2 ))
   (  segid " 1SG" and resid 8    and name HG1%)
      1.700     1.700     4.300 peak   385 spectrum    1 weight  0.10000E+01 volume  0.10027E-01 ppm1      1.327 ppm2      0.929 CV     1
 OR {  385}
   (( segid " 1SG" and resid 71   and name HB2 ))
   (  segid " 1SG" and resid 8    and name HG2%)
 ASSI {  388}
   (( segid " 1SG" and resid 34   and name HG  ))
   (( segid " 1SG" and resid 34   and name HB1 ))
      2.100     0.500     0.500 peak   388 spectrum    1 weight  0.10000E+01 volume  0.10996E-01 ppm1      0.935 ppm2      1.675 CV     1
 OR {  388}
   (( segid " 1SG" and resid 34   and name HG  ))
   (( segid " 1SG" and resid 34   and name HB2 ))
 ASSI {  403}
   (  segid " 1SG" and resid 34   and name HD2%)
   (( segid " 1SG" and resid 34   and name HB1 ))
      2.200     0.600     0.600 peak   403 spectrum    1 weight  0.10000E+01 volume  0.10720E-01 ppm1      0.863 ppm2      1.651 CV     1
 OR {  403}
   (  segid " 1SG" and resid 34   and name HD1%)
   (( segid " 1SG" and resid 34   and name HB2 ))
 OR {  403}
   (  segid " 1SG" and resid 34   and name HD2%)
   (( segid " 1SG" and resid 34   and name HB2 ))
 OR {  403}
   (  segid " 1SG" and resid 34   and name HD1%)
   (( segid " 1SG" and resid 34   and name HB1 ))
 ASSI {  404}
   (  segid " 1SG" and resid 33   and name HD1%)
   (( segid " 1SG" and resid 33   and name HB2 ))
      2.300     0.600     0.600 peak   404 spectrum    1 weight  0.10000E+01 volume  0.10667E-01 ppm1      0.873 ppm2      1.725 CV     1
 OR {  404}
   (  segid " 1SG" and resid 33   and name HD2%)
   (( segid " 1SG" and resid 33   and name HB2 ))
 ASSI {  405}
   (( segid " 1SG" and resid 96   and name HB2 ))
   (  segid " 1SG" and resid 6    and name HD2%)
      2.300     0.700     0.700 peak   405 spectrum    1 weight  0.10000E+01 volume  0.10027E-01 ppm1      1.583 ppm2      0.481 CV     1
 ASSI {  414}
   (( segid " 1SG" and resid 33   and name HB2 ))
   (( segid " 1SG" and resid 33   and name HG  ))
      1.900     0.400     0.400 peak   414 spectrum    1 weight  0.10000E+01 volume  0.10041E-01 ppm1      1.739 ppm2      0.923 CV     1
 ASSI {  415}
   (  segid " 1SG" and resid 31   and name HB% )
   (( segid " 1SG" and resid 31   and name HA  ))
      2.100     0.500     0.500 peak   415 spectrum    1 weight  0.10000E+01 volume  0.10469E-01 ppm1      1.537 ppm2      4.174 CV     1
 ASSI {  416}
   (( segid " 1SG" and resid 2    and name HB2 ))
   (( segid " 1SG" and resid 1    and name HB2 ))
      2.600     2.600     3.400 peak   416 spectrum    1 weight  0.10000E+01 volume  0.10041E-01 ppm1      2.691 ppm2      2.601 CV     1
 ASSI {  419}
   (( segid " 1SG" and resid 1    and name HB2 ))
   (( segid " 1SG" and resid 97   and name HB2 ))
      2.600     2.600     3.400 peak   419 spectrum    1 weight  0.10000E+01 volume  0.10041E-01 ppm1      2.599 ppm2      2.691 CV     1
 ASSI {  420}
   (  segid " 1SG" and resid 105  and name HG2%)
   (( segid " 1SG" and resid 105  and name HB  ))
      2.100     0.600     0.600 peak   420 spectrum    1 weight  0.10000E+01 volume  0.10332E-01 ppm1      0.923 ppm2      3.904 CV     1
 ASSI {  425}
   (  segid " 1SG" and resid 76   and name HD1%)
   (  segid " 1SG" and resid 76   and name HG2%)
      2.000     0.500     0.500 peak   425 spectrum    1 weight  0.10000E+01 volume  0.10176E-01 ppm1      0.678 ppm2      0.829 CV     1
 ASSI {  427}
   (  segid " 1SG" and resid 59   and name HD1%)
   (  segid " 1SG" and resid 59   and name HD2%)
      2.100     0.500     0.500 peak   427 spectrum    1 weight  0.10000E+01 volume  0.10098E-01 ppm1      0.863 ppm2      0.716 CV     1
 ASSI {  435}
   (( segid " 1SG" and resid 94   and name HE1 ))
   (( segid " 1SG" and resid 94   and name HD2 ))
      1.900     0.500     0.500 peak   435 spectrum    1 weight  0.10000E+01 volume  0.99051E-02 ppm1      2.967 ppm2      1.689 CV     1
 OR {  435}
   (( segid " 1SG" and resid 94   and name HE2 ))
   (( segid " 1SG" and resid 94   and name HD1 ))
 OR {  435}
   (( segid " 1SG" and resid 94   and name HE1 ))
   (( segid " 1SG" and resid 94   and name HD1 ))
 OR {  435}
   (( segid " 1SG" and resid 94   and name HE2 ))
   (( segid " 1SG" and resid 94   and name HD2 ))
 ASSI {  438}
   (( segid " 1SG" and resid 108  and name HG1 ))
   (  segid " 1SG" and resid 18   and name HG2%)
      2.300     0.600     0.600 peak   438 spectrum    1 weight  0.10000E+01 volume  0.10057E-01 ppm1      2.209 ppm2      0.961 CV     1
 OR {  438}
   (( segid " 1SG" and resid 108  and name HG2 ))
   (  segid " 1SG" and resid 18   and name HG2%)
 ASSI {  443}
   (  segid " 1SG" and resid 106  and name HG2%)
   (  segid " 1SG" and resid 106  and name HG1%)
      2.100     0.600     0.600 peak   443 spectrum    1 weight  0.10000E+01 volume  0.96474E-02 ppm1      0.390 ppm2      0.692 CV     1
 ASSI {  458}
   (  segid " 1SG" and resid 23   and name HG2%)
   (( segid " 1SG" and resid 23   and name HB  ))
      2.200     0.600     0.600 peak   458 spectrum    1 weight  0.10000E+01 volume  0.93474E-02 ppm1      0.783 ppm2      3.578 CV     1
 ASSI {  460}
   (( segid " 1SG" and resid 50   and name HB2 ))
   (( segid " 1SG" and resid 50   and name HA  ))
      2.100     0.600     0.600 peak   460 spectrum    1 weight  0.10000E+01 volume  0.10057E-01 ppm1      4.031 ppm2      3.944 CV     1
 ASSI {  463}
   (( segid " 1SG" and resid 35   and name HE1 ))
   (( segid " 1SG" and resid 35   and name HD1 ))
      2.100     0.600     0.600 peak   463 spectrum    1 weight  0.10000E+01 volume  0.91265E-02 ppm1      2.950 ppm2      1.649 CV     1
 OR {  463}
   (( segid " 1SG" and resid 35   and name HE2 ))
   (( segid " 1SG" and resid 35   and name HD2 ))
 OR {  463}
   (( segid " 1SG" and resid 35   and name HE1 ))
   (( segid " 1SG" and resid 35   and name HD2 ))
 OR {  463}
   (( segid " 1SG" and resid 35   and name HE2 ))
   (( segid " 1SG" and resid 35   and name HD1 ))
 ASSI {  464}
   (( segid " 1SG" and resid 4    and name HA  ))
   (  segid " 1SG" and resid 4    and name HG2%)
      2.100     0.600     0.600 peak   464 spectrum    1 weight  0.10000E+01 volume  0.10057E-01 ppm1      4.027 ppm2      0.915 CV     1
 ASSI {  478}
   (  segid " 1SG" and resid 84   and name HG2%)
   (( segid " 1SG" and resid 105  and name HA  ))
      2.200     0.600     0.600 peak   478 spectrum    1 weight  0.10000E+01 volume  0.87901E-02 ppm1      1.498 ppm2      4.518 CV     1
 ASSI {  480}
   (( segid " 1SG" and resid 17   and name HB  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      2.200     0.600     0.600 peak   480 spectrum    1 weight  0.10000E+01 volume  0.87592E-02 ppm1      4.089 ppm2      1.298 CV     1
 ASSI {  482}
   (  segid " 1SG" and resid 34   and name HD1%)
   (( segid " 1SG" and resid 34   and name HA  ))
      2.300     0.600     0.600 peak   482 spectrum    1 weight  0.10000E+01 volume  0.87015E-02 ppm1      0.863 ppm2      4.298 CV     1
 OR {  482}
   (  segid " 1SG" and resid 34   and name HD2%)
   (( segid " 1SG" and resid 34   and name HA  ))
 ASSI {  483}
   (  segid " 1SG" and resid 104  and name HD1%)
   (  segid " 1SG" and resid 16   and name HG2%)
      2.000     0.500     0.500 peak   483 spectrum    1 weight  0.10000E+01 volume  0.86945E-02 ppm1      0.982 ppm2      0.618 CV     1
 ASSI {  485}
   (  segid " 1SG" and resid 6    and name HD1%)
   (  segid " 1SG" and resid 6    and name HD2%)
      2.100     0.500     0.500 peak   485 spectrum    1 weight  0.10000E+01 volume  0.86214E-02 ppm1      0.674 ppm2      0.488 CV     1
 ASSI {  492}
   (  segid " 1SG" and resid 18   and name HG2%)
   (  segid " 1SG" and resid 106  and name HG2%)
      2.000     0.500     0.500 peak   492 spectrum    1 weight  0.10000E+01 volume  0.85250E-02 ppm1      0.966 ppm2      0.388 CV     1
 ASSI {  500}
   (( segid " 1SG" and resid 49   and name HG  ))
   (  segid " 1SG" and resid 49   and name HD1%)
      1.900     0.400     0.400 peak   500 spectrum    1 weight  0.10000E+01 volume  0.10107E-01 ppm1      0.799 ppm2      1.765 CV     1
 ASSI {  501}
   (  segid " 1SG" and resid 91   and name HG2%)
   (( segid " 1SG" and resid 37   and name HB2 ))
      2.000     0.500     0.500 peak   501 spectrum    1 weight  0.10000E+01 volume  0.10061E-01 ppm1      0.184 ppm2      1.380 CV     1
 OR {  501}
   (  segid " 1SG" and resid 91   and name HG2%)
   (( segid " 1SG" and resid 37   and name HG2 ))
 OR {  501}
   (  segid " 1SG" and resid 91   and name HG1%)
   (( segid " 1SG" and resid 37   and name HB2 ))
 ASSI {  504}
   (  segid " 1SG" and resid 69   and name HG1%)
   (( segid " 1SG" and resid 69   and name HA  ))
      2.100     0.600     0.600 peak   504 spectrum    1 weight  0.10000E+01 volume  0.83443E-02 ppm1      0.862 ppm2      4.593 CV     1
 OR {  504}
   (  segid " 1SG" and resid 69   and name HG2%)
   (( segid " 1SG" and resid 69   and name HA  ))
 ASSI {  507}
   (  segid " 1SG" and resid 38   and name HG1%)
   (( segid " 1SG" and resid 38   and name HB  ))
      2.200     0.600     0.600 peak   507 spectrum    1 weight  0.10000E+01 volume  0.83036E-02 ppm1      0.828 ppm2      1.896 CV     1
 OR {  507}
   (  segid " 1SG" and resid 38   and name HG2%)
   (( segid " 1SG" and resid 38   and name HB  ))
 ASSI {  511}
   (( segid " 1SG" and resid 77   and name HB  ))
   (  segid " 1SG" and resid 77   and name HG2%)
      2.100     0.600     0.600 peak   511 spectrum    1 weight  0.10000E+01 volume  0.82769E-02 ppm1      4.025 ppm2      1.045 CV     1
 ASSI {  515}
   (  segid " 1SG" and resid 47   and name HG2%)
   (  segid " 1SG" and resid 47   and name HG1%)
      2.200     0.600     0.600 peak   515 spectrum    1 weight  0.10000E+01 volume  0.82413E-02 ppm1      0.794 ppm2      0.992 CV     1
 ASSI {  522}
   (  segid " 1SG" and resid 39   and name HG1%)
   (  segid " 1SG" and resid 39   and name HG2%)
      2.200     0.600     0.600 peak   522 spectrum    1 weight  0.10000E+01 volume  0.81295E-02 ppm1     -0.062 ppm2     -0.447 CV     1
 ASSI {  524}
   (( segid " 1SG" and resid 52   and name HD1 ))
   (( segid " 1SG" and resid 52   and name HG2 ))
      2.100     0.500     0.500 peak   524 spectrum    1 weight  0.10000E+01 volume  0.81001E-02 ppm1      1.579 ppm2      1.341 CV     1
 OR {  524}
   (( segid " 1SG" and resid 52   and name HD1 ))
   (( segid " 1SG" and resid 52   and name HG1 ))
 OR {  524}
   (( segid " 1SG" and resid 52   and name HD2 ))
   (( segid " 1SG" and resid 52   and name HG2 ))
 OR {  524}
   (( segid " 1SG" and resid 52   and name HD2 ))
   (( segid " 1SG" and resid 52   and name HG1 ))
 ASSI {  527}
   (( segid " 1SG" and resid 49   and name HG  ))
   (  segid " 1SG" and resid 59   and name HD1%)
      2.600     2.600     3.400 peak   527 spectrum    1 weight  0.10000E+01 volume  0.10064E-01 ppm1      0.848 ppm2      0.850 CV     1
 ASSI {  528}
   (( segid " 1SG" and resid 49   and name HG  ))
   (( segid " 1SG" and resid 49   and name HB2 ))
      2.000     2.000     4.000 peak   528 spectrum    1 weight  0.10000E+01 volume  0.10064E-01 ppm1      0.849 ppm2      1.542 CV     1
 ASSI {  536}
   (  segid " 1SG" and resid 38   and name HG1%)
   (( segid " 1SG" and resid 38   and name HA  ))
      2.200     0.600     0.600 peak   536 spectrum    1 weight  0.10000E+01 volume  0.79940E-02 ppm1      0.835 ppm2      3.900 CV     1
 OR {  536}
   (  segid " 1SG" and resid 38   and name HG2%)
   (( segid " 1SG" and resid 38   and name HA  ))
 ASSI {  541}
   (  segid " 1SG" and resid 59   and name HD2%)
   (  segid " 1SG" and resid 74   and name HD2%)
      2.300     0.700     0.700 peak   541 spectrum    1 weight  0.10000E+01 volume  0.79797E-02 ppm1      0.714 ppm2      0.412 CV     1
 OR {  541}
   (  segid " 1SG" and resid 59   and name HD2%)
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI {  544}
   (( segid " 1SG" and resid 54   and name HA1 ))
   (( segid " 1SG" and resid 54   and name HA2 ))
      2.000     0.500     0.500 peak   544 spectrum    1 weight  0.10000E+01 volume  0.79650E-02 ppm1      3.915 ppm2      4.302 CV     1
 ASSI {  548}
   (  segid " 1SG" and resid 28   and name HG1%)
   (  segid " 1SG" and resid 29   and name HB% )
      2.500     0.800     0.800 peak   548 spectrum    1 weight  0.10000E+01 volume  0.10064E-01 ppm1      0.819 ppm2      1.521 CV     1
 ASSI {  557}
   (  segid " 1SG" and resid 59   and name HD1%)
   (  segid " 1SG" and resid 57   and name HD1%)
      2.900     1.100     1.100 peak   557 spectrum    1 weight  0.10000E+01 volume  0.77661E-02 ppm1      0.824 ppm2      0.604 CV     1
 OR {  557}
   (  segid " 1SG" and resid 59   and name HD1%)
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI {  558}
   (  segid " 1SG" and resid 29   and name HB% )
   (( segid " 1SG" and resid 29   and name HA  ))
      2.100     0.600     0.600 peak   558 spectrum    1 weight  0.10000E+01 volume  0.77405E-02 ppm1      1.520 ppm2      4.393 CV     1
 ASSI {  563}
   (  segid " 1SG" and resid 104  and name HD2%)
   (  segid " 1SG" and resid 106  and name HG1%)
      2.300     0.700     0.700 peak   563 spectrum    1 weight  0.10000E+01 volume  0.76155E-02 ppm1      0.837 ppm2      0.684 CV     1
 ASSI {  571}
   (  segid " 1SG" and resid 93   and name HG2%)
   (( segid " 1SG" and resid 93   and name HB  ))
      2.100     0.500     0.500 peak   571 spectrum    1 weight  0.10000E+01 volume  0.75381E-02 ppm1      1.040 ppm2      4.557 CV     1
 ASSI {  572}
   (  segid " 1SG" and resid 104  and name HD2%)
   (  segid " 1SG" and resid 104  and name HD1%)
      2.100     0.600     0.600 peak   572 spectrum    1 weight  0.10000E+01 volume  0.75091E-02 ppm1      0.836 ppm2      0.981 CV     1
 ASSI {  574}
   (  segid " 1SG" and resid 53   and name HG2%)
   (( segid " 1SG" and resid 53   and name HB  ))
      2.100     0.600     0.600 peak   574 spectrum    1 weight  0.10000E+01 volume  0.74719E-02 ppm1      1.080 ppm2      2.129 CV     1
 OR {  574}
   (  segid " 1SG" and resid 53   and name HG1%)
   (( segid " 1SG" and resid 53   and name HB  ))
 ASSI {  581}
   (( segid " 1SG" and resid 67   and name HB2 ))
   (( segid " 1SG" and resid 67   and name HA  ))
      2.300     0.700     0.700 peak   581 spectrum    1 weight  0.10000E+01 volume  0.73767E-02 ppm1      3.729 ppm2      4.301 CV     1
 OR {  581}
   (( segid " 1SG" and resid 67   and name HB1 ))
   (( segid " 1SG" and resid 67   and name HA  ))
 ASSI {  582}
   (( segid " 1SG" and resid 53   and name HB  ))
   (  segid " 1SG" and resid 53   and name HG1%)
      2.200     0.600     0.600 peak   582 spectrum    1 weight  0.10000E+01 volume  0.73709E-02 ppm1      2.134 ppm2      1.116 CV     1
 ASSI {  589}
   (  segid " 1SG" and resid 76   and name HG2%)
   (  segid " 1SG" and resid 57   and name HD2%)
      2.600     0.800     0.800 peak   589 spectrum    1 weight  0.10000E+01 volume  0.10071E-01 ppm1      0.826 ppm2      0.616 CV     1
 OR {  589}
   (  segid " 1SG" and resid 76   and name HG2%)
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI {  592}
   (( segid " 1SG" and resid 53   and name HB  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      2.100     0.500     0.500 peak   592 spectrum    1 weight  0.10000E+01 volume  0.72560E-02 ppm1      2.134 ppm2      1.084 CV     1
 ASSI {  594}
   (  segid " 1SG" and resid 76   and name HD1%)
   (  segid " 1SG" and resid 74   and name HD1%)
      1.900     0.500     0.500 peak   594 spectrum    1 weight  0.10000E+01 volume  0.10071E-01 ppm1      0.676 ppm2      0.417 CV     1
 ASSI {  604}
   (( segid " 1SG" and resid 85   and name HA1 ))
   (( segid " 1SG" and resid 85   and name HA2 ))
      1.800     0.400     0.400 peak   604 spectrum    1 weight  0.10000E+01 volume  0.71538E-02 ppm1      3.939 ppm2      4.518 CV     1
 ASSI {  606}
   (( segid " 1SG" and resid 89   and name HA  ))
   (( segid " 1SG" and resid 99   and name HB2 ))
      2.400     2.400     3.600 peak   606 spectrum    1 weight  0.10000E+01 volume  0.10071E-01 ppm1      4.981 ppm2      2.748 CV     1
 ASSI {  611}
   (( segid " 1SG" and resid 20   and name HA2 ))
   (( segid " 1SG" and resid 20   and name HA1 ))
      2.000     0.500     0.500 peak   611 spectrum    1 weight  0.10000E+01 volume  0.70481E-02 ppm1      4.387 ppm2      3.737 CV     1
 ASSI {  613}
   (( segid " 1SG" and resid 3    and name HD1 ))
   (( segid " 1SG" and resid 2    and name HA  ))
      2.300     0.600     0.600 peak   613 spectrum    1 weight  0.10000E+01 volume  0.70191E-02 ppm1      3.854 ppm2      4.913 CV     1
 OR {  613}
   (( segid " 1SG" and resid 3    and name HD2 ))
   (( segid " 1SG" and resid 2    and name HA  ))
 ASSI {  617}
   (( segid " 1SG" and resid 84   and name HB  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      2.300     0.700     0.700 peak   617 spectrum    1 weight  0.10000E+01 volume  0.69579E-02 ppm1      4.220 ppm2      1.497 CV     1
 ASSI {  623}
   (( segid " 1SG" and resid 38   and name HB  ))
   (  segid " 1SG" and resid 38   and name HG2%)
      2.300     0.600     0.600 peak   623 spectrum    1 weight  0.10000E+01 volume  0.68941E-02 ppm1      1.893 ppm2      0.790 CV     1
 ASSI {  625}
   (( segid " 1SG" and resid 49   and name HG  ))
   (  segid " 1SG" and resid 49   and name HD2%)
      1.900     0.500     0.500 peak   625 spectrum    1 weight  0.10000E+01 volume  0.68430E-02 ppm1      0.805 ppm2      1.028 CV     1
 ASSI {  628}
   (  segid " 1SG" and resid 91   and name HG2%)
   (  segid " 1SG" and resid 39   and name HG2%)
      2.100     0.600     0.600 peak   628 spectrum    1 weight  0.10000E+01 volume  0.67784E-02 ppm1      0.172 ppm2     -0.446 CV     1
 OR {  628}
   (  segid " 1SG" and resid 91   and name HG1%)
   (  segid " 1SG" and resid 39   and name HG2%)
 ASSI {  629}
   (  segid " 1SG" and resid 106  and name HG2%)
   (  segid " 1SG" and resid 18   and name HG2%)
      2.100     0.600     0.600 peak   629 spectrum    1 weight  0.10000E+01 volume  0.66746E-02 ppm1      0.390 ppm2      0.968 CV     1
 OR {  629}
   (  segid " 1SG" and resid 106  and name HG2%)
   (  segid " 1SG" and resid 18   and name HG1%)
 ASSI {  638}
   (  segid " 1SG" and resid 74   and name HD2%)
   (  segid " 1SG" and resid 26   and name HB% )
      2.000     2.000     4.000 peak   638 spectrum    1 weight  0.10000E+01 volume  0.10071E-01 ppm1      0.410 ppm2      1.483 CV     1
 OR {  638}
   (  segid " 1SG" and resid 74   and name HD1%)
   (  segid " 1SG" and resid 26   and name HB% )
 ASSI {  647}
   (( segid " 1SG" and resid 15   and name HB2 ))
   (( segid " 1SG" and resid 15   and name HG1 ))
      2.300     0.700     0.700 peak   647 spectrum    1 weight  0.10000E+01 volume  0.64614E-02 ppm1      2.041 ppm2      2.277 CV     1
 OR {  647}
   (( segid " 1SG" and resid 15   and name HB1 ))
   (( segid " 1SG" and resid 15   and name HG2 ))
 OR {  647}
   (( segid " 1SG" and resid 15   and name HB1 ))
   (( segid " 1SG" and resid 15   and name HG1 ))
 OR {  647}
   (( segid " 1SG" and resid 15   and name HB2 ))
   (( segid " 1SG" and resid 15   and name HG2 ))
 ASSI {  649}
   (  segid " 1SG" and resid 105  and name HG2%)
   (( segid " 1SG" and resid 105  and name HA  ))
      2.300     0.600     0.600 peak   649 spectrum    1 weight  0.10000E+01 volume  0.64393E-02 ppm1      0.923 ppm2      4.518 CV     1
 ASSI {  651}
   (  segid " 1SG" and resid 8    and name HG1%)
   (( segid " 1SG" and resid 8    and name HA  ))
      2.300     0.700     0.700 peak   651 spectrum    1 weight  0.10000E+01 volume  0.64126E-02 ppm1      0.964 ppm2      4.174 CV     1
 OR {  651}
   (  segid " 1SG" and resid 8    and name HG2%)
   (( segid " 1SG" and resid 8    and name HA  ))
 ASSI {  653}
   (  segid " 1SG" and resid 57   and name HD2%)
   (  segid " 1SG" and resid 74   and name HD1%)
      2.300     0.600     0.600 peak   653 spectrum    1 weight  0.10000E+01 volume  0.63941E-02 ppm1      0.612 ppm2      0.416 CV     1
 OR {  653}
   (  segid " 1SG" and resid 57   and name HD1%)
   (  segid " 1SG" and resid 74   and name HD1%)
 OR {  653}
   (  segid " 1SG" and resid 57   and name HD2%)
   (  segid " 1SG" and resid 74   and name HD2%)
 ASSI {  655}
   (( segid " 1SG" and resid 92   and name HB2 ))
   (( segid " 1SG" and resid 92   and name HA  ))
      2.300     0.700     0.700 peak   655 spectrum    1 weight  0.10000E+01 volume  0.63782E-02 ppm1      3.943 ppm2      5.264 CV     1
 OR {  655}
   (( segid " 1SG" and resid 92   and name HB1 ))
   (( segid " 1SG" and resid 92   and name HA  ))
 ASSI {  656}
   (( segid " 1SG" and resid 38   and name HB  ))
   (  segid " 1SG" and resid 38   and name HG1%)
      2.300     0.700     0.700 peak   656 spectrum    1 weight  0.10000E+01 volume  0.63658E-02 ppm1      1.893 ppm2      0.842 CV     1
 ASSI {  660}
   (( segid " 1SG" and resid 18   and name HB  ))
   (  segid " 1SG" and resid 18   and name HG1%)
      2.300     0.600     0.600 peak   660 spectrum    1 weight  0.10000E+01 volume  0.62764E-02 ppm1      1.940 ppm2      1.009 CV     1
 ASSI {  667}
   (( segid " 1SG" and resid 94   and name HE2 ))
   (( segid " 1SG" and resid 94   and name HG1 ))
      2.500     0.800     0.800 peak   667 spectrum    1 weight  0.10000E+01 volume  0.61692E-02 ppm1      2.982 ppm2      1.410 CV     1
 OR {  667}
   (( segid " 1SG" and resid 94   and name HE1 ))
   (( segid " 1SG" and resid 94   and name HG1 ))
 OR {  667}
   (( segid " 1SG" and resid 94   and name HE2 ))
   (( segid " 1SG" and resid 94   and name HG2 ))
 OR {  667}
   (( segid " 1SG" and resid 94   and name HE1 ))
   (( segid " 1SG" and resid 94   and name HG2 ))
 ASSI {  676}
   (( segid " 1SG" and resid 32   and name HB1 ))
   (( segid " 1SG" and resid 33   and name HA  ))
      2.500     2.500     3.500 peak   676 spectrum    1 weight  0.10000E+01 volume  0.60868E-02 ppm1      3.910 ppm2      4.466 CV     1
 OR {  676}
   (( segid " 1SG" and resid 32   and name HB2 ))
   (( segid " 1SG" and resid 33   and name HA  ))
 ASSI {  677}
   (  segid " 1SG" and resid 104  and name HD1%)
   (  segid " 1SG" and resid 22   and name HD1%)
      2.400     0.700     0.700 peak   677 spectrum    1 weight  0.10000E+01 volume  0.60864E-02 ppm1      0.982 ppm2      0.547 CV     1
 ASSI {  679}
   (  segid " 1SG" and resid 47   and name HG1%)
   (( segid " 1SG" and resid 47   and name HA  ))
      2.300     0.700     0.700 peak   679 spectrum    1 weight  0.10000E+01 volume  0.60755E-02 ppm1      0.996 ppm2      4.076 CV     1
 ASSI {  680}
   (( segid " 1SG" and resid 33   and name HA  ))
   (  segid " 1SG" and resid 33   and name HD2%)
      2.700     0.900     0.900 peak   680 spectrum    1 weight  0.10000E+01 volume  0.60751E-02 ppm1      4.455 ppm2      0.875 CV     1
 OR {  680}
   (( segid " 1SG" and resid 33   and name HA  ))
   (  segid " 1SG" and resid 33   and name HD1%)
 ASSI {  681}
   (( segid " 1SG" and resid 68   and name HG2 ))
   (( segid " 1SG" and resid 68   and name HD1 ))
      2.200     0.600     0.600 peak   681 spectrum    1 weight  0.10000E+01 volume  0.60744E-02 ppm1      1.326 ppm2      1.682 CV     1
 OR {  681}
   (( segid " 1SG" and resid 68   and name HG1 ))
   (( segid " 1SG" and resid 68   and name HD2 ))
 OR {  681}
   (( segid " 1SG" and resid 68   and name HG2 ))
   (( segid " 1SG" and resid 68   and name HD2 ))
 OR {  681}
   (( segid " 1SG" and resid 68   and name HG1 ))
   (( segid " 1SG" and resid 68   and name HD1 ))
 ASSI {  684}
   (  segid " 1SG" and resid 53   and name HG2%)
   (( segid " 1SG" and resid 53   and name HA  ))
      2.000     0.500     0.500 peak   684 spectrum    1 weight  0.10000E+01 volume  0.10071E-01 ppm1      1.079 ppm2      4.054 CV     1
 OR {  684}
   (  segid " 1SG" and resid 53   and name HG1%)
   (( segid " 1SG" and resid 53   and name HA  ))
 ASSI {  685}
   (( segid " 1SG" and resid 44   and name HA1 ))
   (( segid " 1SG" and resid 44   and name HA2 ))
      1.900     0.500     0.500 peak   685 spectrum    1 weight  0.10000E+01 volume  0.60519E-02 ppm1      3.476 ppm2      3.825 CV     1
 ASSI {  689}
   (  segid " 1SG" and resid 57   and name HD1%)
   (( segid " 1SG" and resid 57   and name HG  ))
      2.100     0.600     0.600 peak   689 spectrum    1 weight  0.10000E+01 volume  0.60194E-02 ppm1      0.618 ppm2      0.749 CV     1
 OR {  689}
   (  segid " 1SG" and resid 57   and name HD2%)
   (( segid " 1SG" and resid 57   and name HG  ))
 ASSI {  690}
   (  segid " 1SG" and resid 53   and name HG1%)
   (  segid " 1SG" and resid 59   and name HD1%)
      2.600     0.900     0.900 peak   690 spectrum    1 weight  0.10000E+01 volume  0.10071E-01 ppm1      1.118 ppm2      0.869 CV     1
 ASSI {  691}
   (  segid " 1SG" and resid 53   and name HG1%)
   (  segid " 1SG" and resid 57   and name HD1%)
      2.500     0.800     0.800 peak   691 spectrum    1 weight  0.10000E+01 volume  0.10071E-01 ppm1      1.118 ppm2      0.614 CV     1
 OR {  691}
   (  segid " 1SG" and resid 53   and name HG1%)
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI {  692}
   (  segid " 1SG" and resid 53   and name HG1%)
   (  segid " 1SG" and resid 53   and name HG2%)
      2.000     0.500     0.500 peak   692 spectrum    1 weight  0.10000E+01 volume  0.10071E-01 ppm1      1.122 ppm2      1.070 CV     1
 ASSI {  695}
   (  segid " 1SG" and resid 53   and name HG2%)
   (  segid " 1SG" and resid 57   and name HD1%)
      2.300     0.700     0.700 peak   695 spectrum    1 weight  0.10000E+01 volume  0.59466E-02 ppm1      1.077 ppm2      0.618 CV     1
 OR {  695}
   (  segid " 1SG" and resid 53   and name HG2%)
   (  segid " 1SG" and resid 57   and name HD2%)
 OR {  695}
   (  segid " 1SG" and resid 53   and name HG1%)
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI {  698}
   (( segid " 1SG" and resid 68   and name HE2 ))
   (( segid " 1SG" and resid 68   and name HG1 ))
      2.400     0.700     0.700 peak   698 spectrum    1 weight  0.10000E+01 volume  0.59300E-02 ppm1      3.029 ppm2      1.285 CV     1
 OR {  698}
   (( segid " 1SG" and resid 68   and name HE1 ))
   (( segid " 1SG" and resid 68   and name HG1 ))
 OR {  698}
   (( segid " 1SG" and resid 68   and name HE2 ))
   (( segid " 1SG" and resid 68   and name HG2 ))
 OR {  698}
   (( segid " 1SG" and resid 68   and name HE1 ))
   (( segid " 1SG" and resid 68   and name HG2 ))
 ASSI {  699}
   (  segid " 1SG" and resid 53   and name HG1%)
   (( segid " 1SG" and resid 53   and name HA  ))
      2.100     0.500     0.500 peak   699 spectrum    1 weight  0.10000E+01 volume  0.10071E-01 ppm1      1.119 ppm2      4.050 CV     1
 ASSI {  711}
   (  segid " 1SG" and resid 59   and name HD2%)
   (  segid " 1SG" and resid 57   and name HD2%)
      3.000     1.100     1.100 peak   711 spectrum    1 weight  0.10000E+01 volume  0.57806E-02 ppm1      0.712 ppm2      0.620 CV     1
 OR {  711}
   (  segid " 1SG" and resid 59   and name HD2%)
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI {  712}
   (( segid " 1SG" and resid 27   and name HD2 ))
   (( segid " 1SG" and resid 27   and name HB2 ))
      2.200     0.600     0.600 peak   712 spectrum    1 weight  0.10000E+01 volume  0.57806E-02 ppm1      3.128 ppm2      1.583 CV     1
 OR {  712}
   (( segid " 1SG" and resid 27   and name HD1 ))
   (( segid " 1SG" and resid 27   and name HB1 ))
 OR {  712}
   (( segid " 1SG" and resid 27   and name HD2 ))
   (( segid " 1SG" and resid 27   and name HB1 ))
 OR {  712}
   (( segid " 1SG" and resid 27   and name HD1 ))
   (( segid " 1SG" and resid 27   and name HB2 ))
 ASSI {  718}
   (  segid " 1SG" and resid 4    and name HG2%)
   (  segid " 1SG" and resid 28   and name HG1%)
      2.900     1.100     1.100 peak   718 spectrum    1 weight  0.10000E+01 volume  0.57408E-02 ppm1      0.905 ppm2      0.832 CV     1
 ASSI {  725}
   (  segid " 1SG" and resid 71   and name HD1%)
   (( segid " 1SG" and resid 71   and name HB2 ))
      2.100     0.600     0.600 peak   725 spectrum    1 weight  0.10000E+01 volume  0.10090E-01 ppm1      0.856 ppm2      1.270 CV     1
 ASSI {  731}
   (  segid " 1SG" and resid 91   and name HG1%)
   (( segid " 1SG" and resid 91   and name HB  ))
      2.100     0.600     0.600 peak   731 spectrum    1 weight  0.10000E+01 volume  0.56649E-02 ppm1      0.175 ppm2      1.130 CV     1
 OR {  731}
   (  segid " 1SG" and resid 91   and name HG2%)
   (( segid " 1SG" and resid 91   and name HB  ))
 ASSI {  739}
   (( segid " 1SG" and resid 14   and name HA2 ))
   (( segid " 1SG" and resid 14   and name HA1 ))
      2.000     0.500     0.500 peak   739 spectrum    1 weight  0.10000E+01 volume  0.56185E-02 ppm1      4.937 ppm2      3.749 CV     1
 ASSI {  742}
   (( segid " 1SG" and resid 4    and name HG12))
   (  segid " 1SG" and resid 4    and name HD1%)
      2.100     0.600     0.600 peak   742 spectrum    1 weight  0.10000E+01 volume  0.56010E-02 ppm1      1.241 ppm2      0.966 CV     1
 ASSI {  745}
   (( segid " 1SG" and resid 43   and name HE2 ))
   (( segid " 1SG" and resid 43   and name HG2 ))
      2.000     0.500     0.500 peak   745 spectrum    1 weight  0.10000E+01 volume  0.10103E-01 ppm1      2.518 ppm2      0.081 CV     1
 ASSI {  751}
   (  segid " 1SG" and resid 93   and name HG2%)
   (  segid " 1SG" and resid 6    and name HD1%)
      2.300     0.700     0.700 peak   751 spectrum    1 weight  0.10000E+01 volume  0.55410E-02 ppm1      1.039 ppm2      0.675 CV     1
 ASSI {  760}
   (( segid " 1SG" and resid 68   and name HD2 ))
   (( segid " 1SG" and resid 68   and name HE1 ))
      2.300     0.700     0.700 peak   760 spectrum    1 weight  0.10000E+01 volume  0.54617E-02 ppm1      1.678 ppm2      3.029 CV     1
 OR {  760}
   (( segid " 1SG" and resid 68   and name HD1 ))
   (( segid " 1SG" and resid 68   and name HE2 ))
 OR {  760}
   (( segid " 1SG" and resid 68   and name HD1 ))
   (( segid " 1SG" and resid 68   and name HE1 ))
 OR {  760}
   (( segid " 1SG" and resid 68   and name HD2 ))
   (( segid " 1SG" and resid 68   and name HE2 ))
 ASSI {  761}
   (  segid " 1SG" and resid 6    and name HD1%)
   (( segid " 1SG" and resid 6    and name HA  ))
      2.100     0.500     0.500 peak   761 spectrum    1 weight  0.10000E+01 volume  0.54412E-02 ppm1      0.673 ppm2      4.461 CV     1
 ASSI {  765}
   (  segid " 1SG" and resid 79   and name HB% )
   (  segid " 1SG" and resid 106  and name HG1%)
      2.700     0.900     0.900 peak   765 spectrum    1 weight  0.10000E+01 volume  0.54137E-02 ppm1      1.194 ppm2      0.689 CV     1
 ASSI {  773}
   (( segid " 1SG" and resid 93   and name HB  ))
   (( segid " 1SG" and resid 93   and name HA  ))
      2.400     0.700     0.700 peak   773 spectrum    1 weight  0.10000E+01 volume  0.53495E-02 ppm1      4.558 ppm2      4.791 CV     1
 ASSI {  775}
   (  segid " 1SG" and resid 77   and name HG2%)
   (( segid " 1SG" and resid 77   and name HA  ))
      2.300     0.700     0.700 peak   775 spectrum    1 weight  0.10000E+01 volume  0.53417E-02 ppm1      1.047 ppm2      4.663 CV     1
 ASSI {  777}
   (( segid " 1SG" and resid 65   and name HD2 ))
   (( segid " 1SG" and resid 65   and name HB2 ))
      2.400     0.700     0.700 peak   777 spectrum    1 weight  0.10000E+01 volume  0.53324E-02 ppm1      3.235 ppm2      1.762 CV     1
 OR {  777}
   (( segid " 1SG" and resid 65   and name HD2 ))
   (( segid " 1SG" and resid 65   and name HB1 ))
 OR {  777}
   (( segid " 1SG" and resid 65   and name HD1 ))
   (( segid " 1SG" and resid 65   and name HB2 ))
 OR {  777}
   (( segid " 1SG" and resid 65   and name HD1 ))
   (( segid " 1SG" and resid 65   and name HB1 ))
 ASSI {  778}
   (  segid " 1SG" and resid 39   and name HG2%)
   (  segid " 1SG" and resid 91   and name HG2%)
      2.100     0.600     0.600 peak   778 spectrum    1 weight  0.10000E+01 volume  0.53278E-02 ppm1     -0.446 ppm2      0.165 CV     1
 ASSI {  784}
   (( segid " 1SG" and resid 29   and name HA  ))
   (( segid " 1SG" and resid 6    and name HA  ))
      3.000     3.000     3.000 peak   784 spectrum    1 weight  0.10000E+01 volume  0.53104E-02 ppm1      4.446 ppm2      4.446 CV     1
 ASSI {  787}
   (( segid " 1SG" and resid 61   and name HB2 ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      3.000     3.000     3.000 peak   787 spectrum    1 weight  0.10000E+01 volume  0.52868E-02 ppm1      2.304 ppm2      2.785 CV     1
 ASSI {  789}
   (  segid " 1SG" and resid 79   and name HB% )
   (  segid " 1SG" and resid 104  and name HD2%)
      2.200     0.600     0.600 peak   789 spectrum    1 weight  0.10000E+01 volume  0.52566E-02 ppm1      1.197 ppm2      0.828 CV     1
 ASSI {  794}
   (( segid " 1SG" and resid 38   and name HA  ))
   (  segid " 1SG" and resid 38   and name HG1%)
      2.400     0.700     0.700 peak   794 spectrum    1 weight  0.10000E+01 volume  0.52353E-02 ppm1      3.904 ppm2      0.841 CV     1
 ASSI {  795}
   (( segid " 1SG" and resid 30   and name HA1 ))
   (( segid " 1SG" and resid 30   and name HA2 ))
      2.100     0.500     0.500 peak   795 spectrum    1 weight  0.10000E+01 volume  0.52349E-02 ppm1      3.952 ppm2      4.673 CV     1
 ASSI {  798}
   (( segid " 1SG" and resid 35   and name HE1 ))
   (  segid " 1SG" and resid 38   and name HG2%)
      2.400     0.700     0.700 peak   798 spectrum    1 weight  0.10000E+01 volume  0.52283E-02 ppm1      2.906 ppm2      0.791 CV     1
 OR {  798}
   (( segid " 1SG" and resid 35   and name HE2 ))
   (  segid " 1SG" and resid 38   and name HG2%)
 ASSI {  801}
   (  segid " 1SG" and resid 28   and name HG2%)
   (  segid " 1SG" and resid 91   and name HG2%)
      2.800     1.000     1.000 peak   801 spectrum    1 weight  0.10000E+01 volume  0.52070E-02 ppm1      0.651 ppm2      0.165 CV     1
 ASSI {  802}
   (( segid " 1SG" and resid 79   and name HA  ))
   (  segid " 1SG" and resid 79   and name HB% )
      2.300     0.600     0.600 peak   802 spectrum    1 weight  0.10000E+01 volume  0.52012E-02 ppm1      3.689 ppm2      1.194 CV     1
 ASSI {  804}
   (  segid " 1SG" and resid 91   and name HG2%)
   (  segid " 1SG" and resid 6    and name HD2%)
      2.200     0.600     0.600 peak   804 spectrum    1 weight  0.10000E+01 volume  0.51962E-02 ppm1      0.186 ppm2      0.489 CV     1
 OR {  804}
   (  segid " 1SG" and resid 91   and name HG1%)
   (  segid " 1SG" and resid 6    and name HD2%)
 ASSI {  814}
   (( segid " 1SG" and resid 34   and name HA  ))
   (( segid " 1SG" and resid 34   and name HB2 ))
      2.400     0.700     0.700 peak   814 spectrum    1 weight  0.10000E+01 volume  0.51405E-02 ppm1      4.298 ppm2      1.673 CV     1
 OR {  814}
   (( segid " 1SG" and resid 34   and name HA  ))
   (( segid " 1SG" and resid 34   and name HB1 ))
 ASSI {  816}
   (  segid " 1SG" and resid 16   and name HG2%)
   (  segid " 1SG" and resid 79   and name HB% )
      2.300     0.700     0.700 peak   816 spectrum    1 weight  0.10000E+01 volume  0.51277E-02 ppm1      0.628 ppm2      1.196 CV     1
 ASSI {  818}
   (( segid " 1SG" and resid 12   and name HG1 ))
   (( segid " 1SG" and resid 12   and name HB2 ))
      2.400     0.700     0.700 peak   818 spectrum    1 weight  0.10000E+01 volume  0.51188E-02 ppm1      2.482 ppm2      1.977 CV     1
 OR {  818}
   (( segid " 1SG" and resid 12   and name HG2 ))
   (( segid " 1SG" and resid 12   and name HB2 ))
 ASSI {  826}
   (  segid " 1SG" and resid 26   and name HB% )
   (( segid " 1SG" and resid 26   and name HA  ))
      2.200     0.600     0.600 peak   826 spectrum    1 weight  0.10000E+01 volume  0.50561E-02 ppm1      1.469 ppm2      4.924 CV     1
 ASSI {  828}
   (( segid " 1SG" and resid 80   and name HG2 ))
   (( segid " 1SG" and resid 80   and name HB2 ))
      2.300     0.700     0.700 peak   828 spectrum    1 weight  0.10000E+01 volume  0.50186E-02 ppm1      2.181 ppm2      1.949 CV     1
 OR {  828}
   (( segid " 1SG" and resid 80   and name HG2 ))
   (( segid " 1SG" and resid 80   and name HB1 ))
 OR {  828}
   (( segid " 1SG" and resid 80   and name HG1 ))
   (( segid " 1SG" and resid 80   and name HB2 ))
 OR {  828}
   (( segid " 1SG" and resid 80   and name HG1 ))
   (( segid " 1SG" and resid 80   and name HB1 ))
 ASSI {  836}
   (  segid " 1SG" and resid 4    and name HG2%)
   (( segid " 1SG" and resid 4    and name HB  ))
      2.100     0.600     0.600 peak   836 spectrum    1 weight  0.10000E+01 volume  0.48579E-02 ppm1      0.914 ppm2      2.051 CV     1
 ASSI {  837}
   (  segid " 1SG" and resid 33   and name HD1%)
   (  segid " 1SG" and resid 93   and name HG2%)
      2.300     0.700     0.700 peak   837 spectrum    1 weight  0.10000E+01 volume  0.48564E-02 ppm1      0.872 ppm2      1.036 CV     1
 OR {  837}
   (  segid " 1SG" and resid 33   and name HD2%)
   (  segid " 1SG" and resid 93   and name HG2%)
 ASSI {  845}
   (  segid " 1SG" and resid 23   and name HG2%)
   (( segid " 1SG" and resid 23   and name HA  ))
      2.500     0.800     0.800 peak   845 spectrum    1 weight  0.10000E+01 volume  0.48119E-02 ppm1      0.784 ppm2      5.116 CV     1
 ASSI {  852}
   (( segid " 1SG" and resid 45   and name HD2 ))
   (( segid " 1SG" and resid 45   and name HG2 ))
      2.400     0.700     0.700 peak   852 spectrum    1 weight  0.10000E+01 volume  0.47771E-02 ppm1      1.241 ppm2      0.603 CV     1
 OR {  852}
   (( segid " 1SG" and resid 45   and name HD1 ))
   (( segid " 1SG" and resid 45   and name HG2 ))
 OR {  852}
   (( segid " 1SG" and resid 45   and name HD1 ))
   (( segid " 1SG" and resid 45   and name HB2 ))
 OR {  852}
   (( segid " 1SG" and resid 45   and name HD2 ))
   (( segid " 1SG" and resid 45   and name HB2 ))
 ASSI {  854}
   (  segid " 1SG" and resid 39   and name HG2%)
   (( segid " 1SG" and resid 39   and name HB  ))
      2.300     0.700     0.700 peak   854 spectrum    1 weight  0.10000E+01 volume  0.47500E-02 ppm1     -0.446 ppm2      0.589 CV     1
 ASSI {  857}
   (  segid " 1SG" and resid 47   and name HG1%)
   (( segid " 1SG" and resid 47   and name HB  ))
      2.300     0.700     0.700 peak   857 spectrum    1 weight  0.10000E+01 volume  0.47043E-02 ppm1      0.995 ppm2      2.528 CV     1
 ASSI {  859}
   (  segid " 1SG" and resid 104  and name HD2%)
   (  segid " 1SG" and resid 16   and name HG2%)
      2.900     1.000     1.000 peak   859 spectrum    1 weight  0.10000E+01 volume  0.46826E-02 ppm1      0.837 ppm2      0.615 CV     1
 ASSI {  862}
   (  segid " 1SG" and resid 16   and name HG2%)
   (  segid " 1SG" and resid 106  and name HG2%)
      2.400     0.700     0.700 peak   862 spectrum    1 weight  0.10000E+01 volume  0.46722E-02 ppm1      0.633 ppm2      0.390 CV     1
 ASSI {  866}
   (( segid " 1SG" and resid 55   and name HG2 ))
   (( segid " 1SG" and resid 55   and name HA  ))
      2.500     0.800     0.800 peak   866 spectrum    1 weight  0.10000E+01 volume  0.46428E-02 ppm1      1.990 ppm2      4.001 CV     1
 OR {  866}
   (( segid " 1SG" and resid 55   and name HG1 ))
   (( segid " 1SG" and resid 55   and name HA  ))
 ASSI {  867}
   (  segid " 1SG" and resid 59   and name HD2%)
   (( segid " 1SG" and resid 59   and name HA  ))
      2.300     0.700     0.700 peak   867 spectrum    1 weight  0.10000E+01 volume  0.46273E-02 ppm1      0.713 ppm2      5.190 CV     1
 ASSI {  873}
   (( segid " 1SG" and resid 91   and name HB  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      2.200     0.600     0.600 peak   873 spectrum    1 weight  0.10000E+01 volume  0.45963E-02 ppm1      1.132 ppm2      0.172 CV     1
 ASSI {  882}
   (( segid " 1SG" and resid 38   and name HA  ))
   (  segid " 1SG" and resid 38   and name HG2%)
      2.600     0.800     0.800 peak   882 spectrum    1 weight  0.10000E+01 volume  0.45321E-02 ppm1      3.900 ppm2      0.791 CV     1
 ASSI {  885}
   (( segid " 1SG" and resid 62   and name HB2 ))
   (( segid " 1SG" and resid 62   and name HA  ))
      2.700     0.900     0.900 peak   885 spectrum    1 weight  0.10000E+01 volume  0.45170E-02 ppm1      3.814 ppm2      4.609 CV     1
 ASSI {  887}
   (  segid " 1SG" and resid 93   and name HG2%)
   (( segid " 1SG" and resid 93   and name HA  ))
      2.300     0.600     0.600 peak   887 spectrum    1 weight  0.10000E+01 volume  0.45147E-02 ppm1      1.040 ppm2      4.794 CV     1
 ASSI {  894}
   (( segid " 1SG" and resid 52   and name HD1 ))
   (  segid " 1SG" and resid 47   and name HG1%)
      2.400     2.400     3.600 peak   894 spectrum    1 weight  0.10000E+01 volume  0.44748E-02 ppm1      1.585 ppm2      0.965 CV     1
 OR {  894}
   (( segid " 1SG" and resid 52   and name HD2 ))
   (  segid " 1SG" and resid 47   and name HG1%)
 ASSI {  896}
   (  segid " 1SG" and resid 106  and name HG2%)
   (( segid " 1SG" and resid 106  and name HB  ))
      2.300     0.600     0.600 peak   896 spectrum    1 weight  0.10000E+01 volume  0.44682E-02 ppm1      0.392 ppm2      1.861 CV     1
 ASSI {  897}
   (  segid " 1SG" and resid 4    and name HD1%)
   (( segid " 1SG" and resid 96   and name HB2 ))
      2.400     0.700     0.700 peak   897 spectrum    1 weight  0.10000E+01 volume  0.44632E-02 ppm1      0.965 ppm2      1.581 CV     1
 ASSI {  902}
   (( segid " 1SG" and resid 96   and name HB2 ))
   (( segid " 1SG" and resid 94   and name HD1 ))
      2.100     0.600     0.600 peak   902 spectrum    1 weight  0.10000E+01 volume  0.44400E-02 ppm1      1.580 ppm2      1.690 CV     1
 OR {  902}
   (( segid " 1SG" and resid 96   and name HB2 ))
   (( segid " 1SG" and resid 94   and name HD2 ))
 ASSI {  908}
   (  segid " 1SG" and resid 106  and name HG1%)
   (( segid " 1SG" and resid 106  and name HB  ))
      2.200     0.600     0.600 peak   908 spectrum    1 weight  0.10000E+01 volume  0.43784E-02 ppm1      0.695 ppm2      1.859 CV     1
 ASSI {  910}
   (( segid " 1SG" and resid 96   and name HB2 ))
   (( segid " 1SG" and resid 96   and name HG2 ))
      2.100     0.600     0.600 peak   910 spectrum    1 weight  0.10000E+01 volume  0.43432E-02 ppm1      1.587 ppm2      1.335 CV     1
 OR {  910}
   (( segid " 1SG" and resid 96   and name HB2 ))
   (( segid " 1SG" and resid 96   and name HG1 ))
 ASSI {  913}
   (  segid " 1SG" and resid 59   and name HD1%)
   (( segid " 1SG" and resid 59   and name HG  ))
      2.200     0.600     0.600 peak   913 spectrum    1 weight  0.10000E+01 volume  0.43177E-02 ppm1      0.866 ppm2      1.440 CV     1
 ASSI {  931}
   (( segid " 1SG" and resid 65   and name HB1 ))
   (( segid " 1SG" and resid 65   and name HA  ))
      2.500     0.800     0.800 peak   931 spectrum    1 weight  0.10000E+01 volume  0.42248E-02 ppm1      1.768 ppm2      3.458 CV     1
 OR {  931}
   (( segid " 1SG" and resid 65   and name HB2 ))
   (( segid " 1SG" and resid 65   and name HA  ))
 ASSI {  932}
   (  segid " 1SG" and resid 71   and name HD1%)
   (( segid " 1SG" and resid 71   and name HA  ))
      2.300     0.700     0.700 peak   932 spectrum    1 weight  0.10000E+01 volume  0.42248E-02 ppm1      0.861 ppm2      5.068 CV     1
 ASSI {  934}
   (  segid " 1SG" and resid 39   and name HG1%)
   (( segid " 1SG" and resid 39   and name HB  ))
      2.400     0.700     0.700 peak   934 spectrum    1 weight  0.10000E+01 volume  0.42174E-02 ppm1     -0.065 ppm2      0.591 CV     1
 ASSI {  935}
   (( segid " 1SG" and resid 49   and name HG  ))
   (( segid " 1SG" and resid 49   and name HA  ))
      2.200     0.600     0.600 peak   935 spectrum    1 weight  0.10000E+01 volume  0.42135E-02 ppm1      0.803 ppm2      3.862 CV     1
 ASSI {  937}
   (( segid " 1SG" and resid 86   and name HA1 ))
   (( segid " 1SG" and resid 86   and name HA2 ))
      2.200     0.600     0.600 peak   937 spectrum    1 weight  0.10000E+01 volume  0.41764E-02 ppm1      3.487 ppm2      4.665 CV     1
 ASSI {  944}
   (( segid " 1SG" and resid 51   and name HA  ))
   (( segid " 1SG" and resid 51   and name HB2 ))
      2.500     0.800     0.800 peak   944 spectrum    1 weight  0.10000E+01 volume  0.41199E-02 ppm1      4.566 ppm2      4.025 CV     1
 ASSI {  949}
   (( segid " 1SG" and resid 16   and name HB  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      2.400     0.700     0.700 peak   949 spectrum    1 weight  0.10000E+01 volume  0.40870E-02 ppm1      1.824 ppm2      0.622 CV     1
 ASSI {  952}
   (( segid " 1SG" and resid 95   and name HA  ))
   (( segid " 1SG" and resid 95   and name HB2 ))
      2.500     0.800     0.800 peak   952 spectrum    1 weight  0.10000E+01 volume  0.40827E-02 ppm1      4.737 ppm2      2.633 CV     1
 ASSI {  953}
   (( segid " 1SG" and resid 77   and name HB  ))
   (( segid " 1SG" and resid 77   and name HA  ))
      2.300     0.700     0.700 peak   953 spectrum    1 weight  0.10000E+01 volume  0.40796E-02 ppm1      4.029 ppm2      4.666 CV     1
 ASSI {  955}
   (( segid " 1SG" and resid 53   and name HA  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      2.300     0.600     0.600 peak   955 spectrum    1 weight  0.10000E+01 volume  0.40734E-02 ppm1      4.054 ppm2      1.080 CV     1
 ASSI {  963}
   (  segid " 1SG" and resid 74   and name HD1%)
   (  segid " 1SG" and resid 49   and name HD2%)
      2.200     0.600     0.600 peak   963 spectrum    1 weight  0.10000E+01 volume  0.40208E-02 ppm1      0.410 ppm2      1.032 CV     1
 OR {  963}
   (  segid " 1SG" and resid 74   and name HD2%)
   (  segid " 1SG" and resid 49   and name HD2%)
 ASSI {  965}
   (( segid " 1SG" and resid 3    and name HD2 ))
   (( segid " 1SG" and resid 4    and name HB  ))
      2.800     2.800     3.200 peak   965 spectrum    1 weight  0.10000E+01 volume  0.40150E-02 ppm1      3.857 ppm2      2.022 CV     1
 OR {  965}
   (( segid " 1SG" and resid 3    and name HD1 ))
   (( segid " 1SG" and resid 4    and name HB  ))
 ASSI {  966}
   (( segid " 1SG" and resid 61   and name HA  ))
   (( segid " 1SG" and resid 72   and name HA  ))
      1.900     0.500     0.500 peak   966 spectrum    1 weight  0.10000E+01 volume  0.40080E-02 ppm1      5.559 ppm2      5.379 CV     1
 ASSI {  969}
   (  segid " 1SG" and resid 47   and name HG2%)
   (( segid " 1SG" and resid 47   and name HA  ))
      2.600     0.900     0.900 peak   969 spectrum    1 weight  0.10000E+01 volume  0.39922E-02 ppm1      0.793 ppm2      4.074 CV     1
 ASSI {  972}
   (  segid " 1SG" and resid 106  and name HG1%)
   (( segid " 1SG" and resid 106  and name HA  ))
      2.700     0.900     0.900 peak   972 spectrum    1 weight  0.10000E+01 volume  0.39655E-02 ppm1      0.694 ppm2      4.732 CV     1
 ASSI {  978}
   (  segid " 1SG" and resid 104  and name HD1%)
   (( segid " 1SG" and resid 104  and name HA  ))
      2.700     0.900     0.900 peak   978 spectrum    1 weight  0.10000E+01 volume  0.39453E-02 ppm1      0.981 ppm2      5.437 CV     1
 ASSI {  984}
   (  segid " 1SG" and resid 22   and name HD1%)
   (( segid " 1SG" and resid 104  and name HB2 ))
      2.700     0.900     0.900 peak   984 spectrum    1 weight  0.10000E+01 volume  0.39008E-02 ppm1      0.549 ppm2      1.243 CV     1
 OR {  984}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 104  and name HB2 ))
 ASSI {  990}
   (  segid " 1SG" and resid 18   and name HG2%)
   (( segid " 1SG" and resid 108  and name HA  ))
      2.300     0.600     0.600 peak   990 spectrum    1 weight  0.10000E+01 volume  0.38834E-02 ppm1      0.965 ppm2      4.151 CV     1
 ASSI {  991}
   (( segid " 1SG" and resid 55   and name HB2 ))
   (( segid " 1SG" and resid 55   and name HA  ))
      2.600     0.800     0.800 peak   991 spectrum    1 weight  0.10000E+01 volume  0.38795E-02 ppm1      1.787 ppm2      4.002 CV     1
 ASSI {  992}
   (( segid " 1SG" and resid 106  and name HA  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      2.400     0.700     0.700 peak   992 spectrum    1 weight  0.10000E+01 volume  0.38772E-02 ppm1      4.730 ppm2      0.388 CV     1
 ASSI {  993}
   (  segid " 1SG" and resid 4    and name HG2%)
   (( segid " 1SG" and resid 96   and name HB2 ))
      2.600     0.800     0.800 peak   993 spectrum    1 weight  0.10000E+01 volume  0.38672E-02 ppm1      0.918 ppm2      1.588 CV     1
 ASSI { 1000}
   (  segid " 1SG" and resid 59   and name HD1%)
   (( segid " 1SG" and resid 43   and name HA  ))
      3.600     3.600     2.400 peak  1000 spectrum    1 weight  0.10000E+01 volume  0.38266E-02 ppm1      0.867 ppm2      4.117 CV     1
 ASSI { 1002}
   (( segid " 1SG" and resid 47   and name HB  ))
   (  segid " 1SG" and resid 47   and name HG2%)
      2.400     0.700     0.700 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.38202E-02 ppm1      2.530 ppm2      0.796 CV     1
 ASSI { 1004}
   (( segid " 1SG" and resid 33   and name HA  ))
   (( segid " 1SG" and resid 33   and name HB2 ))
      2.400     0.700     0.700 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.37998E-02 ppm1      4.459 ppm2      1.732 CV     1
 ASSI { 1006}
   (( segid " 1SG" and resid 57   and name HA  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      2.100     0.600     0.600 peak  1006 spectrum    1 weight  0.10000E+01 volume  0.37938E-02 ppm1      5.429 ppm2      1.472 CV     1
 ASSI { 1008}
   (( segid " 1SG" and resid 77   and name HA  ))
   (( segid " 1SG" and resid 21   and name HA  ))
      2.000     0.500     0.500 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.37889E-02 ppm1      4.665 ppm2      5.519 CV     1
 ASSI { 1009}
   (( segid " 1SG" and resid 84   and name HA  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      2.500     0.800     0.800 peak  1009 spectrum    1 weight  0.10000E+01 volume  0.37845E-02 ppm1      4.230 ppm2      1.496 CV     1
 ASSI { 1011}
   (  segid " 1SG" and resid 59   and name HD1%)
   (  segid " 1SG" and resid 53   and name HG2%)
      2.400     0.700     0.700 peak  1011 spectrum    1 weight  0.10000E+01 volume  0.37775E-02 ppm1      0.870 ppm2      1.085 CV     1
 ASSI { 1019}
   (( segid " 1SG" and resid 35   and name HA  ))
   (( segid " 1SG" and resid 36   and name HD2 ))
      2.500     0.800     0.800 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.37404E-02 ppm1      4.673 ppm2      3.509 CV     1
 ASSI { 1021}
   (  segid " 1SG" and resid 22   and name HD1%)
   (( segid " 1SG" and resid 22   and name HG12))
      2.300     0.700     0.700 peak  1021 spectrum    1 weight  0.10000E+01 volume  0.37332E-02 ppm1      0.548 ppm2      0.108 CV     1
 OR { 1021}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 22   and name HG12))
 ASSI { 1031}
   (  segid " 1SG" and resid 76   and name HG2%)
   (( segid " 1SG" and resid 80   and name HB2 ))
      2.800     2.800     3.200 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.36995E-02 ppm1      0.825 ppm2      1.940 CV     1
 OR { 1031}
   (  segid " 1SG" and resid 76   and name HG2%)
   (( segid " 1SG" and resid 80   and name HB1 ))
 ASSI { 1038}
   (( segid " 1SG" and resid 53   and name HB  ))
   (( segid " 1SG" and resid 52   and name HB2 ))
      3.100     3.100     2.900 peak  1038 spectrum    1 weight  0.10000E+01 volume  0.36647E-02 ppm1      2.169 ppm2      1.731 CV     1
 ASSI { 1047}
   (( segid " 1SG" and resid 16   and name HB  ))
   (( segid " 1SG" and resid 16   and name HA  ))
      2.400     0.700     0.700 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.36200E-02 ppm1      1.820 ppm2      4.604 CV     1
 ASSI { 1051}
   (( segid " 1SG" and resid 43   and name HD1 ))
   (  segid " 1SG" and resid 59   and name HD1%)
      3.300     3.300     2.700 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.36067E-02 ppm1      1.331 ppm2      0.856 CV     1
 OR { 1051}
   (( segid " 1SG" and resid 43   and name HD2 ))
   (  segid " 1SG" and resid 59   and name HD1%)
 ASSI { 1055}
   (( segid " 1SG" and resid 71   and name HB2 ))
   (( segid " 1SG" and resid 69   and name HB  ))
      2.400     2.400     3.600 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.35923E-02 ppm1      1.264 ppm2      1.770 CV     1
 ASSI { 1057}
   (  segid " 1SG" and resid 79   and name HB% )
   (  segid " 1SG" and resid 106  and name HG2%)
      2.500     0.800     0.800 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.35879E-02 ppm1      1.196 ppm2      0.392 CV     1
 ASSI { 1058}
   (( segid " 1SG" and resid 94   and name HB2 ))
   (( segid " 1SG" and resid 94   and name HG1 ))
      2.400     0.700     0.700 peak  1058 spectrum    1 weight  0.10000E+01 volume  0.35800E-02 ppm1      1.791 ppm2      1.414 CV     1
 OR { 1058}
   (( segid " 1SG" and resid 94   and name HB2 ))
   (( segid " 1SG" and resid 94   and name HG2 ))
 ASSI { 1068}
   (( segid " 1SG" and resid 35   and name HB2 ))
   (( segid " 1SG" and resid 35   and name HG1 ))
      2.500     0.800     0.800 peak  1068 spectrum    1 weight  0.10000E+01 volume  0.35263E-02 ppm1      1.791 ppm2      1.358 CV     1
 OR { 1068}
   (( segid " 1SG" and resid 35   and name HB1 ))
   (( segid " 1SG" and resid 35   and name HG1 ))
 OR { 1068}
   (( segid " 1SG" and resid 35   and name HB2 ))
   (( segid " 1SG" and resid 35   and name HG2 ))
 OR { 1068}
   (( segid " 1SG" and resid 35   and name HB1 ))
   (( segid " 1SG" and resid 35   and name HG2 ))
 ASSI { 1077}
   (  segid " 1SG" and resid 69   and name HG1%)
   (( segid " 1SG" and resid 29   and name HA  ))
      2.600     0.800     0.800 peak  1077 spectrum    1 weight  0.10000E+01 volume  0.34825E-02 ppm1      0.863 ppm2      4.391 CV     1
 OR { 1077}
   (  segid " 1SG" and resid 69   and name HG2%)
   (( segid " 1SG" and resid 29   and name HA  ))
 ASSI { 1078}
   (( segid " 1SG" and resid 76   and name HB  ))
   (  segid " 1SG" and resid 76   and name HG2%)
      2.400     0.700     0.700 peak  1078 spectrum    1 weight  0.10000E+01 volume  0.34599E-02 ppm1      1.936 ppm2      0.826 CV     1
 ASSI { 1080}
   (( segid " 1SG" and resid 58   and name HB1 ))
   (( segid " 1SG" and resid 58   and name HG2 ))
      2.500     0.800     0.800 peak  1080 spectrum    1 weight  0.10000E+01 volume  0.34526E-02 ppm1      2.406 ppm2      1.814 CV     1
 OR { 1080}
   (( segid " 1SG" and resid 58   and name HB2 ))
   (( segid " 1SG" and resid 58   and name HG2 ))
 ASSI { 1081}
   (( segid " 1SG" and resid 76   and name HB  ))
   (  segid " 1SG" and resid 22   and name HG2%)
      2.300     0.700     0.700 peak  1081 spectrum    1 weight  0.10000E+01 volume  0.34506E-02 ppm1      1.938 ppm2      0.610 CV     1
 ASSI { 1082}
   (( segid " 1SG" and resid 57   and name HG  ))
   (  segid " 1SG" and resid 74   and name HD1%)
      2.900     1.000     1.000 peak  1082 spectrum    1 weight  0.10000E+01 volume  0.34459E-02 ppm1      0.751 ppm2      0.415 CV     1
 OR { 1082}
   (( segid " 1SG" and resid 57   and name HG  ))
   (  segid " 1SG" and resid 74   and name HD2%)
 ASSI { 1083}
   (( segid " 1SG" and resid 22   and name HG12))
   (( segid " 1SG" and resid 104  and name HB2 ))
      2.200     0.600     0.600 peak  1083 spectrum    1 weight  0.10000E+01 volume  0.34450E-02 ppm1      0.106 ppm2      1.251 CV     1
 ASSI { 1088}
   (  segid " 1SG" and resid 39   and name HG2%)
   (( segid " 1SG" and resid 39   and name HA  ))
      2.500     0.800     0.800 peak  1088 spectrum    1 weight  0.10000E+01 volume  0.34406E-02 ppm1     -0.447 ppm2      4.803 CV     1
 ASSI { 1092}
   (( segid " 1SG" and resid 18   and name HA  ))
   (  segid " 1SG" and resid 18   and name HG1%)
      2.500     0.800     0.800 peak  1092 spectrum    1 weight  0.10000E+01 volume  0.34128E-02 ppm1      3.510 ppm2      0.968 CV     1
 OR { 1092}
   (( segid " 1SG" and resid 18   and name HA  ))
   (  segid " 1SG" and resid 18   and name HG2%)
 ASSI { 1095}
   (( segid " 1SG" and resid 9    and name HG2 ))
   (( segid " 1SG" and resid 9    and name HB2 ))
      2.600     0.800     0.800 peak  1095 spectrum    1 weight  0.10000E+01 volume  0.34027E-02 ppm1      2.524 ppm2      1.911 CV     1
 ASSI { 1097}
   (( segid " 1SG" and resid 18   and name HA  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      2.400     0.700     0.700 peak  1097 spectrum    1 weight  0.10000E+01 volume  0.33920E-02 ppm1      3.516 ppm2      0.390 CV     1
 ASSI { 1101}
   (  segid " 1SG" and resid 28   and name HG1%)
   (  segid " 1SG" and resid 91   and name HG2%)
      2.400     0.700     0.700 peak  1101 spectrum    1 weight  0.10000E+01 volume  0.33624E-02 ppm1      0.830 ppm2      0.179 CV     1
 OR { 1101}
   (  segid " 1SG" and resid 28   and name HG1%)
   (  segid " 1SG" and resid 91   and name HG1%)
 ASSI { 1102}
   (( segid " 1SG" and resid 27   and name HD1 ))
   (( segid " 1SG" and resid 27   and name HG2 ))
      2.400     0.700     0.700 peak  1102 spectrum    1 weight  0.10000E+01 volume  0.33578E-02 ppm1      3.131 ppm2      1.704 CV     1
 OR { 1102}
   (( segid " 1SG" and resid 27   and name HD2 ))
   (( segid " 1SG" and resid 27   and name HG1 ))
 OR { 1102}
   (( segid " 1SG" and resid 27   and name HD1 ))
   (( segid " 1SG" and resid 27   and name HG1 ))
 OR { 1102}
   (( segid " 1SG" and resid 27   and name HD2 ))
   (( segid " 1SG" and resid 27   and name HG2 ))
 ASSI { 1105}
   (  segid " 1SG" and resid 28   and name HG2%)
   (( segid " 1SG" and resid 28   and name HA  ))
      2.500     0.800     0.800 peak  1105 spectrum    1 weight  0.10000E+01 volume  0.33326E-02 ppm1      0.652 ppm2      4.910 CV     1
 ASSI { 1109}
   (( segid " 1SG" and resid 3    and name HB2 ))
   (( segid " 1SG" and resid 3    and name HA  ))
      2.500     0.800     0.800 peak  1109 spectrum    1 weight  0.10000E+01 volume  0.33229E-02 ppm1      2.293 ppm2      4.452 CV     1
 OR { 1109}
   (( segid " 1SG" and resid 3    and name HB1 ))
   (( segid " 1SG" and resid 3    and name HA  ))
 ASSI { 1115}
   (( segid " 1SG" and resid 52   and name HD2 ))
   (( segid " 1SG" and resid 52   and name HA  ))
      2.500     0.800     0.800 peak  1115 spectrum    1 weight  0.10000E+01 volume  0.33154E-02 ppm1      1.579 ppm2      4.625 CV     1
 OR { 1115}
   (( segid " 1SG" and resid 52   and name HD1 ))
   (( segid " 1SG" and resid 52   and name HA  ))
 ASSI { 1118}
   (( segid " 1SG" and resid 43   and name HD2 ))
   (  segid " 1SG" and resid 47   and name HG1%)
      2.800     1.000     1.000 peak  1118 spectrum    1 weight  0.10000E+01 volume  0.32942E-02 ppm1      1.324 ppm2      0.983 CV     1
 OR { 1118}
   (( segid " 1SG" and resid 43   and name HD1 ))
   (  segid " 1SG" and resid 47   and name HG1%)
 ASSI { 1127}
   (( segid " 1SG" and resid 107  and name HA  ))
   (( segid " 1SG" and resid 107  and name HB2 ))
      2.600     0.800     0.800 peak  1127 spectrum    1 weight  0.10000E+01 volume  0.32579E-02 ppm1      4.805 ppm2      3.085 CV     1
 OR { 1127}
   (( segid " 1SG" and resid 107  and name HA  ))
   (( segid " 1SG" and resid 107  and name HB1 ))
 ASSI { 1129}
   (( segid " 1SG" and resid 96   and name HA  ))
   (( segid " 1SG" and resid 96   and name HG1 ))
      2.400     0.700     0.700 peak  1129 spectrum    1 weight  0.10000E+01 volume  0.32500E-02 ppm1      4.790 ppm2      1.336 CV     1
 OR { 1129}
   (( segid " 1SG" and resid 96   and name HA  ))
   (( segid " 1SG" and resid 96   and name HG2 ))
 ASSI { 1135}
   (  segid " 1SG" and resid 59   and name HD2%)
   (( segid " 1SG" and resid 74   and name HA  ))
      2.900     1.100     1.100 peak  1135 spectrum    1 weight  0.10000E+01 volume  0.32344E-02 ppm1      0.717 ppm2      4.346 CV     1
 ASSI { 1151}
   (( segid " 1SG" and resid 18   and name HA  ))
   (  segid " 1SG" and resid 18   and name HG1%)
      2.500     0.800     0.800 peak  1151 spectrum    1 weight  0.10000E+01 volume  0.31860E-02 ppm1      3.513 ppm2      1.007 CV     1
 ASSI { 1152}
   (  segid " 1SG" and resid 69   and name HG1%)
   (( segid " 1SG" and resid 27   and name HD2 ))
      2.600     0.900     0.900 peak  1152 spectrum    1 weight  0.10000E+01 volume  0.31858E-02 ppm1      0.852 ppm2      3.126 CV     1
 OR { 1152}
   (  segid " 1SG" and resid 69   and name HG1%)
   (( segid " 1SG" and resid 27   and name HD1 ))
 ASSI { 1153}
   (( segid " 1SG" and resid 17   and name HA  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      2.600     0.800     0.800 peak  1153 spectrum    1 weight  0.10000E+01 volume  0.31852E-02 ppm1      4.789 ppm2      1.298 CV     1
 ASSI { 1154}
   (( segid " 1SG" and resid 15   and name HA  ))
   (( segid " 1SG" and resid 15   and name HB2 ))
      2.500     0.800     0.800 peak  1154 spectrum    1 weight  0.10000E+01 volume  0.31846E-02 ppm1      5.494 ppm2      2.015 CV     1
 OR { 1154}
   (( segid " 1SG" and resid 15   and name HA  ))
   (( segid " 1SG" and resid 15   and name HB1 ))
 ASSI { 1156}
   (  segid " 1SG" and resid 59   and name HD2%)
   (( segid " 1SG" and resid 59   and name HB2 ))
      2.500     0.800     0.800 peak  1156 spectrum    1 weight  0.10000E+01 volume  0.31779E-02 ppm1      0.714 ppm2      1.697 CV     1
 OR { 1156}
   (  segid " 1SG" and resid 59   and name HD2%)
   (( segid " 1SG" and resid 59   and name HB1 ))
 ASSI { 1161}
   (( segid " 1SG" and resid 59   and name HB2 ))
   (  segid " 1SG" and resid 59   and name HD1%)
      2.400     0.700     0.700 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.31497E-02 ppm1      1.712 ppm2      0.868 CV     1
 OR { 1161}
   (( segid " 1SG" and resid 59   and name HB1 ))
   (  segid " 1SG" and resid 59   and name HD1%)
 ASSI { 1173}
   (( segid " 1SG" and resid 52   and name HE2 ))
   (  segid " 1SG" and resid 47   and name HG2%)
      2.000     0.500     0.500 peak  1173 spectrum    1 weight  0.10000E+01 volume  0.30996E-02 ppm1      2.788 ppm2      0.794 CV     1
 ASSI { 1176}
   (  segid " 1SG" and resid 4    and name HG2%)
   (  segid " 1SG" and resid 6    and name HD2%)
      3.200     1.300     1.300 peak  1176 spectrum    1 weight  0.10000E+01 volume  0.30852E-02 ppm1      0.914 ppm2      0.491 CV     1
 ASSI { 1183}
   (( segid " 1SG" and resid 45   and name HA  ))
   (( segid " 1SG" and resid 45   and name HG2 ))
      2.600     0.800     0.800 peak  1183 spectrum    1 weight  0.10000E+01 volume  0.30638E-02 ppm1      3.497 ppm2      0.609 CV     1
 OR { 1183}
   (( segid " 1SG" and resid 45   and name HA  ))
   (( segid " 1SG" and resid 45   and name HB2 ))
 ASSI { 1189}
   (( segid " 1SG" and resid 94   and name HA  ))
   (( segid " 1SG" and resid 94   and name HB2 ))
      2.700     0.900     0.900 peak  1189 spectrum    1 weight  0.10000E+01 volume  0.30524E-02 ppm1      4.042 ppm2      1.799 CV     1
 ASSI { 1190}
   (( segid " 1SG" and resid 2    and name HB2 ))
   (( segid " 1SG" and resid 1    and name HA  ))
      3.100     1.200     1.200 peak  1190 spectrum    1 weight  0.10000E+01 volume  0.30510E-02 ppm1      2.684 ppm2      4.619 CV     1
 ASSI { 1191}
   (  segid " 1SG" and resid 76   and name HD1%)
   (( segid " 1SG" and resid 59   and name HG  ))
      2.000     2.000     4.000 peak  1191 spectrum    1 weight  0.10000E+01 volume  0.30476E-02 ppm1      0.677 ppm2      1.411 CV     1
 ASSI { 1202}
   (( segid " 1SG" and resid 2    and name HB2 ))
   (( segid " 1SG" and resid 96   and name HE1 ))
      3.100     3.100     2.900 peak  1202 spectrum    1 weight  0.10000E+01 volume  0.29758E-02 ppm1      2.692 ppm2      2.944 CV     1
 OR { 1202}
   (( segid " 1SG" and resid 2    and name HB2 ))
   (( segid " 1SG" and resid 96   and name HE2 ))
 ASSI { 1205}
   (  segid " 1SG" and resid 28   and name HG2%)
   (( segid " 1SG" and resid 28   and name HB  ))
      2.500     0.800     0.800 peak  1205 spectrum    1 weight  0.10000E+01 volume  0.29689E-02 ppm1      0.652 ppm2      1.978 CV     1
 ASSI { 1215}
   (( segid " 1SG" and resid 25   and name HB2 ))
   (  segid " 1SG" and resid 71   and name HD1%)
      2.800     1.000     1.000 peak  1215 spectrum    1 weight  0.10000E+01 volume  0.29234E-02 ppm1      3.603 ppm2      0.862 CV     1
 ASSI { 1219}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 22   and name HB  ))
      2.400     0.700     0.700 peak  1219 spectrum    1 weight  0.10000E+01 volume  0.29120E-02 ppm1      0.612 ppm2      1.535 CV     1
 ASSI { 1220}
   (  segid " 1SG" and resid 28   and name HG1%)
   (( segid " 1SG" and resid 28   and name HB  ))
      2.500     0.800     0.800 peak  1220 spectrum    1 weight  0.10000E+01 volume  0.29025E-02 ppm1      0.816 ppm2      1.976 CV     1
 ASSI { 1223}
   (( segid " 1SG" and resid 53   and name HB  ))
   (( segid " 1SG" and resid 53   and name HA  ))
      2.600     0.800     0.800 peak  1223 spectrum    1 weight  0.10000E+01 volume  0.28903E-02 ppm1      2.132 ppm2      4.051 CV     1
 ASSI { 1236}
   (( segid " 1SG" and resid 59   and name HA  ))
   (( segid " 1SG" and resid 59   and name HB1 ))
      2.400     0.700     0.700 peak  1236 spectrum    1 weight  0.10000E+01 volume  0.28532E-02 ppm1      5.198 ppm2      1.702 CV     1
 OR { 1236}
   (( segid " 1SG" and resid 59   and name HA  ))
   (( segid " 1SG" and resid 59   and name HB2 ))
 ASSI { 1239}
   (( segid " 1SG" and resid 64   and name HA  ))
   (( segid " 1SG" and resid 64   and name HB2 ))
      2.800     1.000     1.000 peak  1239 spectrum    1 weight  0.10000E+01 volume  0.28480E-02 ppm1      4.580 ppm2      2.354 CV     1
 ASSI { 1242}
   (( segid " 1SG" and resid 43   and name HD1 ))
   (( segid " 1SG" and resid 57   and name HG  ))
      2.500     0.800     0.800 peak  1242 spectrum    1 weight  0.10000E+01 volume  0.28410E-02 ppm1      1.333 ppm2      0.743 CV     1
 OR { 1242}
   (( segid " 1SG" and resid 43   and name HD2 ))
   (( segid " 1SG" and resid 57   and name HG  ))
 ASSI { 1243}
   (( segid " 1SG" and resid 22   and name HG12))
   (  segid " 1SG" and resid 22   and name HD1%)
      2.500     0.800     0.800 peak  1243 spectrum    1 weight  0.10000E+01 volume  0.28365E-02 ppm1      0.102 ppm2      0.551 CV     1
 ASSI { 1244}
   (( segid " 1SG" and resid 52   and name HE2 ))
   (( segid " 1SG" and resid 52   and name HD1 ))
      2.500     0.800     0.800 peak  1244 spectrum    1 weight  0.10000E+01 volume  0.28333E-02 ppm1      2.788 ppm2      1.574 CV     1
 OR { 1244}
   (( segid " 1SG" and resid 52   and name HE2 ))
   (( segid " 1SG" and resid 52   and name HD2 ))
 ASSI { 1246}
   (  segid " 1SG" and resid 104  and name HD1%)
   (( segid " 1SG" and resid 104  and name HB2 ))
      2.300     0.600     0.600 peak  1246 spectrum    1 weight  0.10000E+01 volume  0.28288E-02 ppm1      0.976 ppm2      1.219 CV     1
 ASSI { 1251}
   (( segid " 1SG" and resid 80   and name HA  ))
   (( segid " 1SG" and resid 81   and name HD2 ))
      2.600     0.800     0.800 peak  1251 spectrum    1 weight  0.10000E+01 volume  0.28125E-02 ppm1      4.639 ppm2      3.592 CV     1
 ASSI { 1254}
   (( segid " 1SG" and resid 57   and name HA  ))
   (( segid " 1SG" and resid 76   and name HA  ))
      2.300     0.600     0.600 peak  1254 spectrum    1 weight  0.10000E+01 volume  0.28052E-02 ppm1      5.425 ppm2      5.012 CV     1
 ASSI { 1255}
   (( segid " 1SG" and resid 45   and name HB2 ))
   (  segid " 1SG" and resid 104  and name HD2%)
      2.900     2.900     3.100 peak  1255 spectrum    1 weight  0.10000E+01 volume  0.28044E-02 ppm1      0.615 ppm2      0.827 CV     1
 ASSI { 1259}
   (( segid " 1SG" and resid 22   and name HA  ))
   (( segid " 1SG" and resid 22   and name HB  ))
      2.400     0.700     0.700 peak  1259 spectrum    1 weight  0.10000E+01 volume  0.27963E-02 ppm1      4.352 ppm2      1.534 CV     1
 ASSI { 1266}
   (  segid " 1SG" and resid 22   and name HD1%)
   (( segid " 1SG" and resid 14   and name HA1 ))
      2.400     0.700     0.700 peak  1266 spectrum    1 weight  0.10000E+01 volume  0.27695E-02 ppm1      0.548 ppm2      3.749 CV     1
 ASSI { 1267}
   (( segid " 1SG" and resid 59   and name HG  ))
   (( segid " 1SG" and resid 57   and name HG  ))
      3.500     3.500     2.500 peak  1267 spectrum    1 weight  0.10000E+01 volume  0.27685E-02 ppm1      1.460 ppm2      0.749 CV     1
 ASSI { 1272}
   (( segid " 1SG" and resid 58   and name HA  ))
   (( segid " 1SG" and resid 58   and name HB1 ))
      2.500     0.800     0.800 peak  1272 spectrum    1 weight  0.10000E+01 volume  0.27530E-02 ppm1      4.626 ppm2      2.405 CV     1
 OR { 1272}
   (( segid " 1SG" and resid 58   and name HA  ))
   (( segid " 1SG" and resid 58   and name HB2 ))
 ASSI { 1274}
   (( segid " 1SG" and resid 65   and name HA  ))
   (( segid " 1SG" and resid 65   and name HG2 ))
      2.500     0.800     0.800 peak  1274 spectrum    1 weight  0.10000E+01 volume  0.27415E-02 ppm1      3.458 ppm2      1.692 CV     1
 OR { 1274}
   (( segid " 1SG" and resid 65   and name HA  ))
   (( segid " 1SG" and resid 65   and name HG1 ))
 ASSI { 1282}
   (( segid " 1SG" and resid 78   and name HA  ))
   (( segid " 1SG" and resid 78   and name HB2 ))
      2.800     1.000     1.000 peak  1282 spectrum    1 weight  0.10000E+01 volume  0.27242E-02 ppm1      4.117 ppm2      2.383 CV     1
 ASSI { 1285}
   (  segid " 1SG" and resid 8    and name HG2%)
   (( segid " 1SG" and resid 29   and name HA  ))
      2.700     0.900     0.900 peak  1285 spectrum    1 weight  0.10000E+01 volume  0.27186E-02 ppm1      0.964 ppm2      4.391 CV     1
 OR { 1285}
   (  segid " 1SG" and resid 8    and name HG1%)
   (( segid " 1SG" and resid 29   and name HA  ))
 ASSI { 1286}
   (  segid " 1SG" and resid 8    and name HG2%)
   (  segid " 1SG" and resid 6    and name HD2%)
      3.300     3.300     2.700 peak  1286 spectrum    1 weight  0.10000E+01 volume  0.27179E-02 ppm1      0.928 ppm2      0.476 CV     1
 OR { 1286}
   (  segid " 1SG" and resid 8    and name HG1%)
   (  segid " 1SG" and resid 6    and name HD2%)
 ASSI { 1288}
   (( segid " 1SG" and resid 96   and name HA  ))
   (( segid " 1SG" and resid 94   and name HE1 ))
      2.800     1.000     1.000 peak  1288 spectrum    1 weight  0.10000E+01 volume  0.27002E-02 ppm1      4.809 ppm2      3.001 CV     1
 OR { 1288}
   (( segid " 1SG" and resid 96   and name HA  ))
   (( segid " 1SG" and resid 94   and name HE2 ))
 ASSI { 1297}
   (( segid " 1SG" and resid 52   and name HE2 ))
   (( segid " 1SG" and resid 52   and name HG1 ))
      2.800     1.000     1.000 peak  1297 spectrum    1 weight  0.10000E+01 volume  0.26829E-02 ppm1      2.788 ppm2      1.344 CV     1
 OR { 1297}
   (( segid " 1SG" and resid 52   and name HE2 ))
   (( segid " 1SG" and resid 52   and name HG2 ))
 ASSI { 1298}
   (( segid " 1SG" and resid 49   and name HG  ))
   (( segid " 1SG" and resid 43   and name HB2 ))
      2.100     0.600     0.600 peak  1298 spectrum    1 weight  0.10000E+01 volume  0.26802E-02 ppm1      0.801 ppm2      1.228 CV     1
 ASSI { 1302}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 22   and name HG12))
      2.400     0.700     0.700 peak  1302 spectrum    1 weight  0.10000E+01 volume  0.26709E-02 ppm1      0.611 ppm2      0.097 CV     1
 ASSI { 1303}
   (( segid " 1SG" and resid 94   and name HG2 ))
   (( segid " 1SG" and resid 94   and name HA  ))
      3.000     1.200     1.200 peak  1303 spectrum    1 weight  0.10000E+01 volume  0.26706E-02 ppm1      1.416 ppm2      4.044 CV     1
 OR { 1303}
   (( segid " 1SG" and resid 94   and name HG1 ))
   (( segid " 1SG" and resid 94   and name HA  ))
 ASSI { 1309}
   (( segid " 1SG" and resid 96   and name HA  ))
   (( segid " 1SG" and resid 96   and name HB2 ))
      2.500     0.800     0.800 peak  1309 spectrum    1 weight  0.10000E+01 volume  0.26627E-02 ppm1      4.786 ppm2      1.579 CV     1
 ASSI { 1319}
   (  segid " 1SG" and resid 76   and name HG2%)
   (( segid " 1SG" and resid 76   and name HA  ))
      2.500     0.800     0.800 peak  1319 spectrum    1 weight  0.10000E+01 volume  0.26384E-02 ppm1      0.823 ppm2      5.012 CV     1
 ASSI { 1324}
   (  segid " 1SG" and resid 6    and name HD2%)
   (  segid " 1SG" and resid 93   and name HG2%)
      3.100     1.200     1.200 peak  1324 spectrum    1 weight  0.10000E+01 volume  0.26268E-02 ppm1      0.426 ppm2      1.033 CV     1
 ASSI { 1325}
   (( segid " 1SG" and resid 57   and name HB2 ))
   (( segid " 1SG" and resid 57   and name HG  ))
      2.300     0.700     0.700 peak  1325 spectrum    1 weight  0.10000E+01 volume  0.26253E-02 ppm1      1.470 ppm2      0.752 CV     1
 ASSI { 1327}
   (( segid " 1SG" and resid 68   and name HE2 ))
   (( segid " 1SG" and resid 37   and name HD2 ))
      2.100     2.100     3.900 peak  1327 spectrum    1 weight  0.10000E+01 volume  0.26179E-02 ppm1      3.032 ppm2      2.376 CV     1
 OR { 1327}
   (( segid " 1SG" and resid 68   and name HE1 ))
   (( segid " 1SG" and resid 37   and name HD2 ))
 ASSI { 1333}
   (( segid " 1SG" and resid 3    and name HA  ))
   (( segid " 1SG" and resid 4    and name HB  ))
      3.300     1.400     1.400 peak  1333 spectrum    1 weight  0.10000E+01 volume  0.25978E-02 ppm1      4.450 ppm2      2.008 CV     1
 ASSI { 1335}
   (( segid " 1SG" and resid 27   and name HA  ))
   (( segid " 1SG" and resid 27   and name HB2 ))
      2.400     0.700     0.700 peak  1335 spectrum    1 weight  0.10000E+01 volume  0.25872E-02 ppm1      5.836 ppm2      1.599 CV     1
 OR { 1335}
   (( segid " 1SG" and resid 27   and name HA  ))
   (( segid " 1SG" and resid 27   and name HB1 ))
 ASSI { 1338}
   (( segid " 1SG" and resid 19   and name HA1 ))
   (( segid " 1SG" and resid 78   and name HA  ))
      2.800     0.900     0.900 peak  1338 spectrum    1 weight  0.10000E+01 volume  0.25800E-02 ppm1      4.274 ppm2      4.121 CV     1
 OR { 1338}
   (( segid " 1SG" and resid 19   and name HA2 ))
   (( segid " 1SG" and resid 78   and name HA  ))
 ASSI { 1343}
   (( segid " 1SG" and resid 35   and name HB2 ))
   (( segid " 1SG" and resid 35   and name HA  ))
      2.600     0.900     0.900 peak  1343 spectrum    1 weight  0.10000E+01 volume  0.25724E-02 ppm1      1.791 ppm2      4.667 CV     1
 OR { 1343}
   (( segid " 1SG" and resid 35   and name HB1 ))
   (( segid " 1SG" and resid 35   and name HA  ))
 ASSI { 1346}
   (  segid " 1SG" and resid 69   and name HG2%)
   (( segid " 1SG" and resid 67   and name HB2 ))
      2.700     0.900     0.900 peak  1346 spectrum    1 weight  0.10000E+01 volume  0.25656E-02 ppm1      0.868 ppm2      3.737 CV     1
 OR { 1346}
   (  segid " 1SG" and resid 69   and name HG2%)
   (( segid " 1SG" and resid 67   and name HB1 ))
 ASSI { 1351}
   (( segid " 1SG" and resid 59   and name HB1 ))
   (( segid " 1SG" and resid 59   and name HG  ))
      2.400     0.700     0.700 peak  1351 spectrum    1 weight  0.10000E+01 volume  0.25521E-02 ppm1      1.699 ppm2      1.439 CV     1
 OR { 1351}
   (( segid " 1SG" and resid 59   and name HB2 ))
   (( segid " 1SG" and resid 59   and name HG  ))
 ASSI { 1353}
   (  segid " 1SG" and resid 104  and name HD2%)
   (( segid " 1SG" and resid 104  and name HB2 ))
      3.100     1.200     1.200 peak  1353 spectrum    1 weight  0.10000E+01 volume  0.25506E-02 ppm1      0.836 ppm2      1.210 CV     1
 ASSI { 1356}
   (  segid " 1SG" and resid 91   and name HG2%)
   (  segid " 1SG" and resid 39   and name HG1%)
      3.300     1.400     1.400 peak  1356 spectrum    1 weight  0.10000E+01 volume  0.25335E-02 ppm1      0.170 ppm2     -0.067 CV     1
 OR { 1356}
   (  segid " 1SG" and resid 91   and name HG1%)
   (  segid " 1SG" and resid 39   and name HG1%)
 ASSI { 1365}
   (( segid " 1SG" and resid 34   and name HG  ))
   (( segid " 1SG" and resid 35   and name HG2 ))
      2.700     0.900     0.900 peak  1365 spectrum    1 weight  0.10000E+01 volume  0.25171E-02 ppm1      0.938 ppm2      1.372 CV     1
 OR { 1365}
   (( segid " 1SG" and resid 34   and name HG  ))
   (( segid " 1SG" and resid 35   and name HG1 ))
 ASSI { 1367}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 22   and name HB  ))
      2.500     0.800     0.800 peak  1367 spectrum    1 weight  0.10000E+01 volume  0.25118E-02 ppm1      0.558 ppm2      1.537 CV     1
 OR { 1367}
   (  segid " 1SG" and resid 22   and name HD1%)
   (( segid " 1SG" and resid 22   and name HB  ))
 ASSI { 1368}
   (  segid " 1SG" and resid 106  and name HG2%)
   (( segid " 1SG" and resid 81   and name HA  ))
      2.500     0.800     0.800 peak  1368 spectrum    1 weight  0.10000E+01 volume  0.25110E-02 ppm1      0.389 ppm2      4.015 CV     1
 ASSI { 1375}
   (  segid " 1SG" and resid 4    and name HG2%)
   (  segid " 1SG" and resid 6    and name HD1%)
      2.400     0.700     0.700 peak  1375 spectrum    1 weight  0.10000E+01 volume  0.24845E-02 ppm1      0.911 ppm2      0.677 CV     1
 ASSI { 1378}
   (( segid " 1SG" and resid 68   and name HG2 ))
   (( segid " 1SG" and resid 68   and name HA  ))
      2.600     0.800     0.800 peak  1378 spectrum    1 weight  0.10000E+01 volume  0.24825E-02 ppm1      1.279 ppm2      3.604 CV     1
 OR { 1378}
   (( segid " 1SG" and resid 68   and name HG1 ))
   (( segid " 1SG" and resid 68   and name HA  ))
 ASSI { 1382}
   (  segid " 1SG" and resid 49   and name HD2%)
   (  segid " 1SG" and resid 49   and name HD1%)
      2.400     0.700     0.700 peak  1382 spectrum    1 weight  0.10000E+01 volume  0.24750E-02 ppm1      1.033 ppm2      1.768 CV     1
 ASSI { 1390}
   (( segid " 1SG" and resid 45   and name HE2 ))
   (( segid " 1SG" and resid 45   and name HD2 ))
      2.700     0.900     0.900 peak  1390 spectrum    1 weight  0.10000E+01 volume  0.24559E-02 ppm1      2.582 ppm2      1.239 CV     1
 OR { 1390}
   (( segid " 1SG" and resid 45   and name HE2 ))
   (( segid " 1SG" and resid 45   and name HD1 ))
 ASSI { 1393}
   (  segid " 1SG" and resid 6    and name HD1%)
   (  segid " 1SG" and resid 91   and name HG2%)
      3.100     1.200     1.200 peak  1393 spectrum    1 weight  0.10000E+01 volume  0.24458E-02 ppm1      0.673 ppm2      0.183 CV     1
 OR { 1393}
   (  segid " 1SG" and resid 6    and name HD1%)
   (  segid " 1SG" and resid 91   and name HG1%)
 ASSI { 1397}
   (( segid " 1SG" and resid 22   and name HB  ))
   (  segid " 1SG" and resid 22   and name HD1%)
      2.600     0.900     0.900 peak  1397 spectrum    1 weight  0.10000E+01 volume  0.24362E-02 ppm1      1.541 ppm2      0.551 CV     1
 ASSI { 1399}
   (( segid " 1SG" and resid 31   and name HA  ))
   (( segid " 1SG" and resid 68   and name HD1 ))
      2.700     0.900     0.900 peak  1399 spectrum    1 weight  0.10000E+01 volume  0.24314E-02 ppm1      4.175 ppm2      1.683 CV     1
 OR { 1399}
   (( segid " 1SG" and resid 31   and name HA  ))
   (( segid " 1SG" and resid 68   and name HD2 ))
 ASSI { 1400}
   (( segid " 1SG" and resid 91   and name HA  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      2.600     0.800     0.800 peak  1400 spectrum    1 weight  0.10000E+01 volume  0.24289E-02 ppm1      4.748 ppm2      0.161 CV     1
 ASSI { 1402}
   (( segid " 1SG" and resid 68   and name HG1 ))
   (( segid " 1SG" and resid 68   and name HB2 ))
      2.600     0.900     0.900 peak  1402 spectrum    1 weight  0.10000E+01 volume  0.24242E-02 ppm1      1.273 ppm2      1.772 CV     1
 OR { 1402}
   (( segid " 1SG" and resid 68   and name HG2 ))
   (( segid " 1SG" and resid 68   and name HB2 ))
 ASSI { 1406}
   (  segid " 1SG" and resid 53   and name HG1%)
   (( segid " 1SG" and resid 58   and name HA  ))
      2.900     1.000     1.000 peak  1406 spectrum    1 weight  0.10000E+01 volume  0.24143E-02 ppm1      1.121 ppm2      4.624 CV     1
 ASSI { 1408}
   (( segid " 1SG" and resid 28   and name HA  ))
   (  segid " 1SG" and resid 28   and name HG1%)
      2.600     0.800     0.800 peak  1408 spectrum    1 weight  0.10000E+01 volume  0.24087E-02 ppm1      4.915 ppm2      0.817 CV     1
 ASSI { 1412}
   (  segid " 1SG" and resid 74   and name HD2%)
   (( segid " 1SG" and resid 59   and name HG  ))
      2.500     0.800     0.800 peak  1412 spectrum    1 weight  0.10000E+01 volume  0.23994E-02 ppm1      0.409 ppm2      1.447 CV     1
 OR { 1412}
   (  segid " 1SG" and resid 74   and name HD1%)
   (( segid " 1SG" and resid 59   and name HG  ))
 ASSI { 1420}
   (( segid " 1SG" and resid 75   and name HA  ))
   (( segid " 1SG" and resid 75   and name HB1 ))
      2.700     0.900     0.900 peak  1420 spectrum    1 weight  0.10000E+01 volume  0.23758E-02 ppm1      5.087 ppm2      2.897 CV     1
 OR { 1420}
   (( segid " 1SG" and resid 75   and name HA  ))
   (( segid " 1SG" and resid 75   and name HB2 ))
 ASSI { 1421}
   (( segid " 1SG" and resid 45   and name HD1 ))
   (  segid " 1SG" and resid 104  and name HD2%)
      3.000     3.000     3.000 peak  1421 spectrum    1 weight  0.10000E+01 volume  0.23741E-02 ppm1      1.234 ppm2      0.834 CV     1
 OR { 1421}
   (( segid " 1SG" and resid 45   and name HD2 ))
   (  segid " 1SG" and resid 104  and name HD2%)
 ASSI { 1426}
   (( segid " 1SG" and resid 2    and name HA  ))
   (( segid " 1SG" and resid 2    and name HB2 ))
      2.600     0.800     0.800 peak  1426 spectrum    1 weight  0.10000E+01 volume  0.23671E-02 ppm1      4.912 ppm2      2.661 CV     1
 ASSI { 1428}
   (( segid " 1SG" and resid 33   and name HG  ))
   (( segid " 1SG" and resid 37   and name HG2 ))
      3.500     1.500     1.500 peak  1428 spectrum    1 weight  0.10000E+01 volume  0.23659E-02 ppm1      0.929 ppm2      1.379 CV     1
 OR { 1428}
   (( segid " 1SG" and resid 33   and name HG  ))
   (( segid " 1SG" and resid 37   and name HB2 ))
 ASSI { 1433}
   (( segid " 1SG" and resid 105  and name HB  ))
   (( segid " 1SG" and resid 15   and name HA  ))
      2.600     0.800     0.800 peak  1433 spectrum    1 weight  0.10000E+01 volume  0.23609E-02 ppm1      3.901 ppm2      5.501 CV     1
 ASSI { 1435}
   (( segid " 1SG" and resid 12   and name HA  ))
   (( segid " 1SG" and resid 12   and name HG1 ))
      2.900     1.100     1.100 peak  1435 spectrum    1 weight  0.10000E+01 volume  0.23588E-02 ppm1      4.685 ppm2      2.479 CV     1
 OR { 1435}
   (( segid " 1SG" and resid 12   and name HA  ))
   (( segid " 1SG" and resid 12   and name HG2 ))
 ASSI { 1437}
   (( segid " 1SG" and resid 61   and name HA  ))
   (( segid " 1SG" and resid 61   and name HB2 ))
      2.800     1.000     1.000 peak  1437 spectrum    1 weight  0.10000E+01 volume  0.23572E-02 ppm1      5.569 ppm2      2.306 CV     1
 ASSI { 1443}
   (( segid " 1SG" and resid 22   and name HA  ))
   (( segid " 1SG" and resid 104  and name HB2 ))
      3.500     3.500     2.500 peak  1443 spectrum    1 weight  0.10000E+01 volume  0.23432E-02 ppm1      4.357 ppm2      1.253 CV     1
 ASSI { 1453}
   (( segid " 1SG" and resid 4    and name HA  ))
   (  segid " 1SG" and resid 4    and name HD1%)
      2.800     1.000     1.000 peak  1453 spectrum    1 weight  0.10000E+01 volume  0.23267E-02 ppm1      4.030 ppm2      0.969 CV     1
 ASSI { 1456}
   (( segid " 1SG" and resid 9    and name HA  ))
   (( segid " 1SG" and resid 27   and name HD1 ))
      3.500     1.500     1.500 peak  1456 spectrum    1 weight  0.10000E+01 volume  0.23180E-02 ppm1      4.631 ppm2      3.112 CV     1
 OR { 1456}
   (( segid " 1SG" and resid 9    and name HA  ))
   (( segid " 1SG" and resid 27   and name HD2 ))
 ASSI { 1457}
   (( segid " 1SG" and resid 57   and name HG  ))
   (  segid " 1SG" and resid 49   and name HD2%)
      2.500     0.800     0.800 peak  1457 spectrum    1 weight  0.10000E+01 volume  0.23179E-02 ppm1      0.752 ppm2      1.025 CV     1
 ASSI { 1461}
   (( segid " 1SG" and resid 12   and name HB2 ))
   (( segid " 1SG" and resid 12   and name HA  ))
      2.900     1.100     1.100 peak  1461 spectrum    1 weight  0.10000E+01 volume  0.23049E-02 ppm1      1.970 ppm2      4.684 CV     1
 ASSI { 1470}
   (  segid " 1SG" and resid 106  and name HG1%)
   (( segid " 1SG" and resid 104  and name HG  ))
      2.900     1.000     1.000 peak  1470 spectrum    1 weight  0.10000E+01 volume  0.22935E-02 ppm1      0.689 ppm2      1.337 CV     1
 ASSI { 1471}
   (  segid " 1SG" and resid 76   and name HG2%)
   (( segid " 1SG" and resid 76   and name HG12))
      2.600     0.800     0.800 peak  1471 spectrum    1 weight  0.10000E+01 volume  0.22922E-02 ppm1      0.820 ppm2      1.098 CV     1
 ASSI { 1479}
   (( segid " 1SG" and resid 53   and name HA  ))
   (  segid " 1SG" and resid 57   and name HD1%)
      2.500     0.800     0.800 peak  1479 spectrum    1 weight  0.10000E+01 volume  0.22755E-02 ppm1      4.059 ppm2      0.613 CV     1
 OR { 1479}
   (( segid " 1SG" and resid 53   and name HA  ))
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI { 1481}
   (( segid " 1SG" and resid 40   and name HA  ))
   (( segid " 1SG" and resid 40   and name HB2 ))
      2.600     0.900     0.900 peak  1481 spectrum    1 weight  0.10000E+01 volume  0.22747E-02 ppm1      4.549 ppm2      1.359 CV     1
 ASSI { 1483}
   (  segid " 1SG" and resid 59   and name HD1%)
   (  segid " 1SG" and resid 74   and name HD1%)
      3.300     1.400     1.400 peak  1483 spectrum    1 weight  0.10000E+01 volume  0.22722E-02 ppm1      0.863 ppm2      0.419 CV     1
 OR { 1483}
   (  segid " 1SG" and resid 59   and name HD1%)
   (  segid " 1SG" and resid 74   and name HD2%)
 ASSI { 1490}
   (  segid " 1SG" and resid 77   and name HG2%)
   (( segid " 1SG" and resid 22   and name HB  ))
      3.200     3.200     2.800 peak  1490 spectrum    1 weight  0.10000E+01 volume  0.22511E-02 ppm1      1.074 ppm2      1.515 CV     1
 ASSI { 1493}
   (( segid " 1SG" and resid 21   and name HA  ))
   (( segid " 1SG" and resid 21   and name HB2 ))
      2.600     0.900     0.900 peak  1493 spectrum    1 weight  0.10000E+01 volume  0.22471E-02 ppm1      5.515 ppm2      3.764 CV     1
 ASSI { 1494}
   (( segid " 1SG" and resid 74   and name HB2 ))
   (  segid " 1SG" and resid 74   and name HD2%)
      2.900     1.000     1.000 peak  1494 spectrum    1 weight  0.10000E+01 volume  0.22466E-02 ppm1     -0.825 ppm2      0.419 CV     1
 OR { 1494}
   (( segid " 1SG" and resid 74   and name HB2 ))
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI { 1497}
   (( segid " 1SG" and resid 71   and name HB2 ))
   (  segid " 1SG" and resid 71   and name HD2%)
      2.700     0.900     0.900 peak  1497 spectrum    1 weight  0.10000E+01 volume  0.22427E-02 ppm1      1.272 ppm2      0.752 CV     1
 ASSI { 1504}
   (( segid " 1SG" and resid 105  and name HB  ))
   (( segid " 1SG" and resid 15   and name HG1 ))
      2.700     0.900     0.900 peak  1504 spectrum    1 weight  0.10000E+01 volume  0.22319E-02 ppm1      3.909 ppm2      2.266 CV     1
 OR { 1504}
   (( segid " 1SG" and resid 105  and name HB  ))
   (( segid " 1SG" and resid 15   and name HG2 ))
 ASSI { 1508}
   (( segid " 1SG" and resid 76   and name HB  ))
   (  segid " 1SG" and resid 76   and name HD1%)
      2.500     0.800     0.800 peak  1508 spectrum    1 weight  0.10000E+01 volume  0.22198E-02 ppm1      1.941 ppm2      0.670 CV     1
 ASSI { 1516}
   (( segid " 1SG" and resid 36   and name HB2 ))
   (( segid " 1SG" and resid 36   and name HG2 ))
      2.600     0.800     0.800 peak  1516 spectrum    1 weight  0.10000E+01 volume  0.22071E-02 ppm1      1.634 ppm2      1.985 CV     1
 ASSI { 1518}
   (( segid " 1SG" and resid 34   and name HA  ))
   (( segid " 1SG" and resid 94   and name HA  ))
      3.300     3.300     2.700 peak  1518 spectrum    1 weight  0.10000E+01 volume  0.22055E-02 ppm1      4.293 ppm2      4.063 CV     1
 ASSI { 1523}
   (( segid " 1SG" and resid 59   and name HG  ))
   (  segid " 1SG" and resid 57   and name HD2%)
      3.400     1.400     1.400 peak  1523 spectrum    1 weight  0.10000E+01 volume  0.21939E-02 ppm1      1.446 ppm2      0.612 CV     1
 OR { 1523}
   (( segid " 1SG" and resid 59   and name HG  ))
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI { 1529}
   (( segid " 1SG" and resid 25   and name HA  ))
   (( segid " 1SG" and resid 73   and name HA  ))
      2.500     0.800     0.800 peak  1529 spectrum    1 weight  0.10000E+01 volume  0.21832E-02 ppm1      5.692 ppm2      5.470 CV     1
 ASSI { 1539}
   (( segid " 1SG" and resid 106  and name HA  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      2.600     0.900     0.900 peak  1539 spectrum    1 weight  0.10000E+01 volume  0.21682E-02 ppm1      4.721 ppm2      0.624 CV     1
 ASSI { 1545}
   (( segid " 1SG" and resid 14   and name HA2 ))
   (  segid " 1SG" and resid 22   and name HD1%)
      3.600     1.600     1.600 peak  1545 spectrum    1 weight  0.10000E+01 volume  0.21456E-02 ppm1      4.934 ppm2      0.546 CV     1
 ASSI { 1547}
   (  segid " 1SG" and resid 18   and name HG2%)
   (( segid " 1SG" and resid 81   and name HD2 ))
      3.300     1.400     1.400 peak  1547 spectrum    1 weight  0.10000E+01 volume  0.21418E-02 ppm1      0.966 ppm2      3.590 CV     1
 ASSI { 1554}
   (  segid " 1SG" and resid 71   and name HD2%)
   (  segid " 1SG" and resid 74   and name HD2%)
      3.200     3.200     2.800 peak  1554 spectrum    1 weight  0.10000E+01 volume  0.21299E-02 ppm1      0.716 ppm2      0.408 CV     1
 OR { 1554}
   (  segid " 1SG" and resid 71   and name HD2%)
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI { 1572}
   (  segid " 1SG" and resid 79   and name HB% )
   (( segid " 1SG" and resid 18   and name HA  ))
      2.800     1.000     1.000 peak  1572 spectrum    1 weight  0.10000E+01 volume  0.21044E-02 ppm1      1.195 ppm2      3.508 CV     1
 ASSI { 1580}
   (( segid " 1SG" and resid 61   and name HB2 ))
   (( segid " 1SG" and resid 63   and name HB2 ))
      2.700     2.700     3.300 peak  1580 spectrum    1 weight  0.10000E+01 volume  0.20856E-02 ppm1      2.281 ppm2      2.543 CV     1
 ASSI { 1587}
   (  segid " 1SG" and resid 39   and name HG1%)
   (( segid " 1SG" and resid 39   and name HA  ))
      2.600     0.900     0.900 peak  1587 spectrum    1 weight  0.10000E+01 volume  0.20813E-02 ppm1     -0.057 ppm2      4.810 CV     1
 ASSI { 1598}
   (( segid " 1SG" and resid 53   and name HA  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      3.400     1.400     1.400 peak  1598 spectrum    1 weight  0.10000E+01 volume  0.20640E-02 ppm1      4.052 ppm2      1.467 CV     1
 ASSI { 1605}
   (( segid " 1SG" and resid 88   and name HB2 ))
   (( segid " 1SG" and resid 40   and name HD1 ))
      2.900     2.900     3.100 peak  1605 spectrum    1 weight  0.10000E+01 volume  0.20571E-02 ppm1      1.705 ppm2      1.711 CV     1
 OR { 1605}
   (( segid " 1SG" and resid 88   and name HB2 ))
   (( segid " 1SG" and resid 40   and name HD2 ))
 ASSI { 1616}
   (( segid " 1SG" and resid 108  and name HG1 ))
   (( segid " 1SG" and resid 108  and name HA  ))
      2.800     1.000     1.000 peak  1616 spectrum    1 weight  0.10000E+01 volume  0.20366E-02 ppm1      2.201 ppm2      4.149 CV     1
 OR { 1616}
   (( segid " 1SG" and resid 108  and name HG2 ))
   (( segid " 1SG" and resid 108  and name HA  ))
 ASSI { 1617}
   (( segid " 1SG" and resid 74   and name HB2 ))
   (  segid " 1SG" and resid 57   and name HD2%)
      3.700     1.700     1.700 peak  1617 spectrum    1 weight  0.10000E+01 volume  0.20361E-02 ppm1     -0.817 ppm2      0.626 CV     1
 OR { 1617}
   (( segid " 1SG" and resid 74   and name HB2 ))
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI { 1622}
   (( segid " 1SG" and resid 45   and name HG2 ))
   (( segid " 1SG" and resid 45   and name HA  ))
      2.700     0.900     0.900 peak  1622 spectrum    1 weight  0.10000E+01 volume  0.20324E-02 ppm1      0.599 ppm2      3.499 CV     1
 ASSI { 1624}
   (( segid " 1SG" and resid 68   and name HA  ))
   (( segid " 1SG" and resid 68   and name HB2 ))
      2.600     0.900     0.900 peak  1624 spectrum    1 weight  0.10000E+01 volume  0.20302E-02 ppm1      3.604 ppm2      1.772 CV     1
 ASSI { 1631}
   (( segid " 1SG" and resid 16   and name HB  ))
   (  segid " 1SG" and resid 22   and name HD1%)
      3.400     1.500     1.500 peak  1631 spectrum    1 weight  0.10000E+01 volume  0.20136E-02 ppm1      1.820 ppm2      0.552 CV     1
 ASSI { 1634}
   (  segid " 1SG" and resid 59   and name HD1%)
   (( segid " 1SG" and resid 43   and name HB2 ))
      3.800     1.800     1.800 peak  1634 spectrum    1 weight  0.10000E+01 volume  0.20037E-02 ppm1      0.832 ppm2      1.231 CV     1
 ASSI { 1636}
   (( segid " 1SG" and resid 8    and name HB  ))
   (( segid " 1SG" and resid 27   and name HB1 ))
      2.500     0.800     0.800 peak  1636 spectrum    1 weight  0.10000E+01 volume  0.19991E-02 ppm1      1.813 ppm2      1.600 CV     1
 OR { 1636}
   (( segid " 1SG" and resid 8    and name HB  ))
   (( segid " 1SG" and resid 27   and name HB2 ))
 ASSI { 1638}
   (( segid " 1SG" and resid 108  and name HA  ))
   (  segid " 1SG" and resid 18   and name HG1%)
      3.600     1.600     1.600 peak  1638 spectrum    1 weight  0.10000E+01 volume  0.19926E-02 ppm1      4.155 ppm2      1.005 CV     1
 ASSI { 1643}
   (( segid " 1SG" and resid 45   and name HB2 ))
   (( segid " 1SG" and resid 45   and name HA  ))
      2.900     1.000     1.000 peak  1643 spectrum    1 weight  0.10000E+01 volume  0.19873E-02 ppm1      0.604 ppm2      3.498 CV     1
 ASSI { 1653}
   (( segid " 1SG" and resid 4    and name HB  ))
   (( segid " 1SG" and resid 96   and name HB2 ))
      2.800     1.000     1.000 peak  1653 spectrum    1 weight  0.10000E+01 volume  0.19678E-02 ppm1      2.052 ppm2      1.589 CV     1
 ASSI { 1657}
   (( segid " 1SG" and resid 52   and name HD1 ))
   (( segid " 1SG" and resid 48   and name HB2 ))
      2.900     1.100     1.100 peak  1657 spectrum    1 weight  0.10000E+01 volume  0.19577E-02 ppm1      1.575 ppm2      2.922 CV     1
 OR { 1657}
   (( segid " 1SG" and resid 52   and name HD2 ))
   (( segid " 1SG" and resid 48   and name HB2 ))
 ASSI { 1660}
   (( segid " 1SG" and resid 76   and name HG12))
   (  segid " 1SG" and resid 57   and name HD2%)
      2.400     0.700     0.700 peak  1660 spectrum    1 weight  0.10000E+01 volume  0.19555E-02 ppm1      1.094 ppm2      0.621 CV     1
 OR { 1660}
   (( segid " 1SG" and resid 76   and name HG12))
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI { 1671}
   (( segid " 1SG" and resid 60   and name HB2 ))
   (( segid " 1SG" and resid 60   and name HA  ))
      3.000     1.100     1.100 peak  1671 spectrum    1 weight  0.10000E+01 volume  0.19394E-02 ppm1      2.975 ppm2      5.071 CV     1
 ASSI { 1672}
   (( segid " 1SG" and resid 43   and name HD1 ))
   (  segid " 1SG" and resid 49   and name HD1%)
      3.400     1.400     1.400 peak  1672 spectrum    1 weight  0.10000E+01 volume  0.19383E-02 ppm1      1.322 ppm2      1.761 CV     1
 OR { 1672}
   (( segid " 1SG" and resid 43   and name HD2 ))
   (  segid " 1SG" and resid 49   and name HD1%)
 ASSI { 1676}
   (( segid " 1SG" and resid 36   and name HA  ))
   (( segid " 1SG" and resid 37   and name HD2 ))
      2.600     0.800     0.800 peak  1676 spectrum    1 weight  0.10000E+01 volume  0.19334E-02 ppm1      4.005 ppm2      2.360 CV     1
 ASSI { 1689}
   (( segid " 1SG" and resid 16   and name HA  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      3.200     1.300     1.300 peak  1689 spectrum    1 weight  0.10000E+01 volume  0.19152E-02 ppm1      4.604 ppm2      0.629 CV     1
 ASSI { 1694}
   (( segid " 1SG" and resid 57   and name HB2 ))
   (  segid " 1SG" and resid 57   and name HD1%)
      2.900     1.000     1.000 peak  1694 spectrum    1 weight  0.10000E+01 volume  0.19047E-02 ppm1      1.477 ppm2      0.615 CV     1
 OR { 1694}
   (( segid " 1SG" and resid 57   and name HB2 ))
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI { 1700}
   (( segid " 1SG" and resid 35   and name HG2 ))
   (( segid " 1SG" and resid 35   and name HA  ))
      3.200     1.300     1.300 peak  1700 spectrum    1 weight  0.10000E+01 volume  0.18983E-02 ppm1      1.361 ppm2      4.667 CV     1
 OR { 1700}
   (( segid " 1SG" and resid 35   and name HG1 ))
   (( segid " 1SG" and resid 35   and name HA  ))
 ASSI { 1703}
   (( segid " 1SG" and resid 25   and name HB2 ))
   (( segid " 1SG" and resid 25   and name HA  ))
      3.000     1.200     1.200 peak  1703 spectrum    1 weight  0.10000E+01 volume  0.18975E-02 ppm1      3.602 ppm2      5.692 CV     1
 ASSI { 1707}
   (( segid " 1SG" and resid 105  and name HA  ))
   (( segid " 1SG" and resid 84   and name HA  ))
      2.700     0.900     0.900 peak  1707 spectrum    1 weight  0.10000E+01 volume  0.18941E-02 ppm1      4.518 ppm2      4.230 CV     1
 ASSI { 1720}
   (( segid " 1SG" and resid 36   and name HA  ))
   (( segid " 1SG" and resid 36   and name HB2 ))
      3.100     1.200     1.200 peak  1720 spectrum    1 weight  0.10000E+01 volume  0.18796E-02 ppm1      4.007 ppm2      1.642 CV     1
 ASSI { 1726}
   (( segid " 1SG" and resid 88   and name HA  ))
   (( segid " 1SG" and resid 100  and name HB2 ))
      3.200     3.200     2.800 peak  1726 spectrum    1 weight  0.10000E+01 volume  0.18705E-02 ppm1      5.349 ppm2      2.953 CV     1
 ASSI { 1727}
   (  segid " 1SG" and resid 104  and name HD1%)
   (  segid " 1SG" and resid 24   and name HE% )
      2.200     2.200     3.800 peak  1727 spectrum    1 weight  0.10000E+01 volume  0.18683E-02 ppm1      0.987 ppm2      7.171 CV     1
 ASSI { 1730}
   (  segid " 1SG" and resid 49   and name HD2%)
   (( segid " 1SG" and resid 59   and name HB1 ))
      2.400     0.700     0.700 peak  1730 spectrum    1 weight  0.10000E+01 volume  0.18675E-02 ppm1      1.042 ppm2      1.718 CV     1
 OR { 1730}
   (  segid " 1SG" and resid 49   and name HD2%)
   (( segid " 1SG" and resid 59   and name HB2 ))
 ASSI { 1748}
   (( segid " 1SG" and resid 23   and name HB  ))
   (( segid " 1SG" and resid 23   and name HA  ))
      2.900     1.000     1.000 peak  1748 spectrum    1 weight  0.10000E+01 volume  0.18393E-02 ppm1      3.583 ppm2      5.116 CV     1
 ASSI { 1752}
   (  segid " 1SG" and resid 74   and name HD1%)
   (  segid " 1SG" and resid 59   and name HD1%)
      3.100     1.200     1.200 peak  1752 spectrum    1 weight  0.10000E+01 volume  0.18291E-02 ppm1      0.412 ppm2      0.852 CV     1
 ASSI { 1760}
   (( segid " 1SG" and resid 49   and name HB2 ))
   (( segid " 1SG" and resid 52   and name HB2 ))
      3.600     1.700     1.700 peak  1760 spectrum    1 weight  0.10000E+01 volume  0.18155E-02 ppm1      1.571 ppm2      1.728 CV     1
 ASSI { 1764}
   (  segid " 1SG" and resid 76   and name HG2%)
   (( segid " 1SG" and resid 79   and name HA  ))
      2.800     1.000     1.000 peak  1764 spectrum    1 weight  0.10000E+01 volume  0.18096E-02 ppm1      0.825 ppm2      3.685 CV     1
 ASSI { 1771}
   (( segid " 1SG" and resid 36   and name HD2 ))
   (( segid " 1SG" and resid 36   and name HG2 ))
      2.600     0.800     0.800 peak  1771 spectrum    1 weight  0.10000E+01 volume  0.18038E-02 ppm1      3.510 ppm2      1.963 CV     1
 ASSI { 1789}
   (( segid " 1SG" and resid 9    and name HB2 ))
   (( segid " 1SG" and resid 9    and name HA  ))
      2.700     0.900     0.900 peak  1789 spectrum    1 weight  0.10000E+01 volume  0.17909E-02 ppm1      1.915 ppm2      4.655 CV     1
 ASSI { 1791}
   (( segid " 1SG" and resid 8    and name HB  ))
   (( segid " 1SG" and resid 8    and name HA  ))
      2.900     1.000     1.000 peak  1791 spectrum    1 weight  0.10000E+01 volume  0.17884E-02 ppm1      1.840 ppm2      4.168 CV     1
 ASSI { 1800}
   (  segid " 1SG" and resid 18   and name HG2%)
   (( segid " 1SG" and resid 80   and name HE21))
      3.500     3.500     2.500 peak  1800 spectrum    1 weight  0.10000E+01 volume  0.17775E-02 ppm1      0.979 ppm2      6.971 CV     1
 ASSI { 1802}
   (( segid " 1SG" and resid 72   and name HB2 ))
   (( segid " 1SG" and resid 72   and name HA  ))
      2.700     0.900     0.900 peak  1802 spectrum    1 weight  0.10000E+01 volume  0.17732E-02 ppm1      2.934 ppm2      5.351 CV     1
 ASSI { 1807}
   (( segid " 1SG" and resid 92   and name HB1 ))
   (  segid " 1SG" and resid 93   and name HG2%)
      3.300     3.300     2.700 peak  1807 spectrum    1 weight  0.10000E+01 volume  0.17676E-02 ppm1      3.877 ppm2      1.043 CV     1
 OR { 1807}
   (( segid " 1SG" and resid 92   and name HB2 ))
   (  segid " 1SG" and resid 93   and name HG2%)
 ASSI { 1808}
   (( segid " 1SG" and resid 6    and name HG  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      2.600     0.800     0.800 peak  1808 spectrum    1 weight  0.10000E+01 volume  0.17658E-02 ppm1      1.340 ppm2      0.494 CV     1
 ASSI { 1809}
   (( segid " 1SG" and resid 24   and name HA  ))
   (( segid " 1SG" and resid 24   and name HB2 ))
      3.000     1.100     1.100 peak  1809 spectrum    1 weight  0.10000E+01 volume  0.17658E-02 ppm1      4.619 ppm2      2.415 CV     1
 ASSI { 1812}
   (( segid " 1SG" and resid 103  and name HB2 ))
   (( segid " 1SG" and resid 103  and name HA  ))
      3.100     1.200     1.200 peak  1812 spectrum    1 weight  0.10000E+01 volume  0.17608E-02 ppm1      2.506 ppm2      5.551 CV     1
 ASSI { 1815}
   (( segid " 1SG" and resid 105  and name HA  ))
   (( segid " 1SG" and resid 105  and name HB  ))
      2.800     1.000     1.000 peak  1815 spectrum    1 weight  0.10000E+01 volume  0.17587E-02 ppm1      4.515 ppm2      3.913 CV     1
 ASSI { 1823}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 104  and name HB2 ))
      3.200     1.200     1.200 peak  1823 spectrum    1 weight  0.10000E+01 volume  0.17516E-02 ppm1      0.619 ppm2      1.254 CV     1
 ASSI { 1826}
   (  segid " 1SG" and resid 91   and name HG2%)
   (  segid " 1SG" and resid 93   and name HG2%)
      3.500     1.500     1.500 peak  1826 spectrum    1 weight  0.10000E+01 volume  0.17467E-02 ppm1      0.186 ppm2      1.045 CV     1
 OR { 1826}
   (  segid " 1SG" and resid 91   and name HG1%)
   (  segid " 1SG" and resid 93   and name HG2%)
 ASSI { 1831}
   (  segid " 1SG" and resid 49   and name HD2%)
   (( segid " 1SG" and resid 49   and name HB2 ))
      3.000     1.100     1.100 peak  1831 spectrum    1 weight  0.10000E+01 volume  0.17406E-02 ppm1      1.030 ppm2      1.580 CV     1
 ASSI { 1841}
   (( segid " 1SG" and resid 52   and name HB2 ))
   (( segid " 1SG" and resid 52   and name HA  ))
      3.100     1.200     1.200 peak  1841 spectrum    1 weight  0.10000E+01 volume  0.17272E-02 ppm1      1.738 ppm2      4.629 CV     1
 ASSI { 1843}
   (( segid " 1SG" and resid 58   and name HA  ))
   (( segid " 1SG" and resid 58   and name HG2 ))
      3.300     1.400     1.400 peak  1843 spectrum    1 weight  0.10000E+01 volume  0.17262E-02 ppm1      4.621 ppm2      1.817 CV     1
 ASSI { 1852}
   (( segid " 1SG" and resid 69   and name HA  ))
   (( segid " 1SG" and resid 29   and name HA  ))
      2.800     1.000     1.000 peak  1852 spectrum    1 weight  0.10000E+01 volume  0.17083E-02 ppm1      4.592 ppm2      4.392 CV     1
 ASSI { 1853}
   (( segid " 1SG" and resid 57   and name HG  ))
   (( segid " 1SG" and resid 49   and name HB2 ))
      3.500     1.500     1.500 peak  1853 spectrum    1 weight  0.10000E+01 volume  0.17076E-02 ppm1      0.753 ppm2      1.558 CV     1
 ASSI { 1858}
   (( segid " 1SG" and resid 96   and name HB2 ))
   (( segid " 1SG" and resid 4    and name HG12))
      2.700     0.900     0.900 peak  1858 spectrum    1 weight  0.10000E+01 volume  0.17005E-02 ppm1      1.612 ppm2      1.245 CV     1
 ASSI { 1870}
   (( segid " 1SG" and resid 15   and name HA  ))
   (( segid " 1SG" and resid 15   and name HG1 ))
      2.900     1.000     1.000 peak  1870 spectrum    1 weight  0.10000E+01 volume  0.16846E-02 ppm1      5.504 ppm2      2.280 CV     1
 OR { 1870}
   (( segid " 1SG" and resid 15   and name HA  ))
   (( segid " 1SG" and resid 15   and name HG2 ))
 ASSI { 1875}
   (( segid " 1SG" and resid 22   and name HB  ))
   (( segid " 1SG" and resid 104  and name HB2 ))
      3.200     1.300     1.300 peak  1875 spectrum    1 weight  0.10000E+01 volume  0.16815E-02 ppm1      1.541 ppm2      1.250 CV     1
 ASSI { 1880}
   (( segid " 1SG" and resid 56   and name HA  ))
   (( segid " 1SG" and resid 56   and name HB2 ))
      2.900     1.100     1.100 peak  1880 spectrum    1 weight  0.10000E+01 volume  0.16770E-02 ppm1      4.971 ppm2      3.108 CV     1
 ASSI { 1887}
   (( segid " 1SG" and resid 4    and name HB  ))
   (( segid " 1SG" and resid 4    and name HA  ))
      2.700     0.900     0.900 peak  1887 spectrum    1 weight  0.10000E+01 volume  0.16744E-02 ppm1      2.054 ppm2      4.033 CV     1
 ASSI { 1888}
   (( segid " 1SG" and resid 37   and name HB2 ))
   (( segid " 1SG" and resid 37   and name HA  ))
      2.900     1.100     1.100 peak  1888 spectrum    1 weight  0.10000E+01 volume  0.16735E-02 ppm1      1.383 ppm2      4.501 CV     1
 ASSI { 1889}
   (( segid " 1SG" and resid 91   and name HA  ))
   (( segid " 1SG" and resid 91   and name HB  ))
      2.500     0.800     0.800 peak  1889 spectrum    1 weight  0.10000E+01 volume  0.16731E-02 ppm1      4.743 ppm2      1.134 CV     1
 ASSI { 1895}
   (( segid " 1SG" and resid 6    and name HG  ))
   (  segid " 1SG" and resid 6    and name HD1%)
      2.600     0.800     0.800 peak  1895 spectrum    1 weight  0.10000E+01 volume  0.16677E-02 ppm1      1.341 ppm2      0.677 CV     1
 ASSI { 1898}
   (( segid " 1SG" and resid 49   and name HA  ))
   (( segid " 1SG" and resid 52   and name HB2 ))
      2.800     1.000     1.000 peak  1898 spectrum    1 weight  0.10000E+01 volume  0.16671E-02 ppm1      3.862 ppm2      1.730 CV     1
 ASSI { 1902}
   (( segid " 1SG" and resid 27   and name HA  ))
   (( segid " 1SG" and resid 71   and name HA  ))
      2.400     0.700     0.700 peak  1902 spectrum    1 weight  0.10000E+01 volume  0.16613E-02 ppm1      5.835 ppm2      5.076 CV     1
 ASSI { 1905}
   (  segid " 1SG" and resid 104  and name HD1%)
   (( segid " 1SG" and resid 14   and name HA1 ))
      3.000     1.100     1.100 peak  1905 spectrum    1 weight  0.10000E+01 volume  0.16559E-02 ppm1      0.975 ppm2      3.753 CV     1
 ASSI { 1907}
   (( segid " 1SG" and resid 4    and name HB  ))
   (( segid " 1SG" and resid 4    and name HG12))
      2.500     0.800     0.800 peak  1907 spectrum    1 weight  0.10000E+01 volume  0.16494E-02 ppm1      2.046 ppm2      1.247 CV     1
 ASSI { 1908}
   (( segid " 1SG" and resid 45   and name HG2 ))
   (( segid " 1SG" and resid 45   and name HD2 ))
      2.900     1.100     1.100 peak  1908 spectrum    1 weight  0.10000E+01 volume  0.16490E-02 ppm1      0.596 ppm2      1.238 CV     1
 OR { 1908}
   (( segid " 1SG" and resid 45   and name HG2 ))
   (( segid " 1SG" and resid 45   and name HD1 ))
 ASSI { 1924}
   (( segid " 1SG" and resid 43   and name HB2 ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      3.300     3.300     2.700 peak  1924 spectrum    1 weight  0.10000E+01 volume  0.16235E-02 ppm1      1.237 ppm2      1.469 CV     1
 ASSI { 1936}
   (  segid " 1SG" and resid 39   and name HG2%)
   (  segid " 1SG" and resid 28   and name HG2%)
      2.800     1.000     1.000 peak  1936 spectrum    1 weight  0.10000E+01 volume  0.16163E-02 ppm1     -0.444 ppm2      0.644 CV     1
 ASSI { 1950}
   (( segid " 1SG" and resid 24   and name HA  ))
   (( segid " 1SG" and resid 12   and name HG1 ))
      2.300     2.300     3.700 peak  1950 spectrum    1 weight  0.10000E+01 volume  0.16017E-02 ppm1      4.620 ppm2      2.453 CV     1
 OR { 1950}
   (( segid " 1SG" and resid 24   and name HA  ))
   (( segid " 1SG" and resid 12   and name HG2 ))
 ASSI { 1953}
   (  segid " 1SG" and resid 8    and name HG1%)
   (( segid " 1SG" and resid 27   and name HD2 ))
      3.100     1.200     1.200 peak  1953 spectrum    1 weight  0.10000E+01 volume  0.15997E-02 ppm1      0.980 ppm2      3.114 CV     1
 OR { 1953}
   (  segid " 1SG" and resid 8    and name HG1%)
   (( segid " 1SG" and resid 27   and name HD1 ))
 OR { 1953}
   (  segid " 1SG" and resid 8    and name HG2%)
   (( segid " 1SG" and resid 27   and name HD2 ))
 OR { 1953}
   (  segid " 1SG" and resid 8    and name HG2%)
   (( segid " 1SG" and resid 27   and name HD1 ))
 ASSI { 1956}
   (( segid " 1SG" and resid 83   and name HA  ))
   (( segid " 1SG" and resid 83   and name HB2 ))
      2.900     1.100     1.100 peak  1956 spectrum    1 weight  0.10000E+01 volume  0.15979E-02 ppm1      4.609 ppm2      3.190 CV     1
 ASSI { 1958}
   (( segid " 1SG" and resid 40   and name HA  ))
   (( segid " 1SG" and resid 40   and name HG2 ))
      3.400     1.400     1.400 peak  1958 spectrum    1 weight  0.10000E+01 volume  0.15932E-02 ppm1      4.545 ppm2      1.245 CV     1
 OR { 1958}
   (( segid " 1SG" and resid 40   and name HA  ))
   (( segid " 1SG" and resid 40   and name HG1 ))
 ASSI { 1965}
   (( segid " 1SG" and resid 83   and name HA  ))
   (( segid " 1SG" and resid 44   and name HA2 ))
      3.200     3.200     2.800 peak  1965 spectrum    1 weight  0.10000E+01 volume  0.15887E-02 ppm1      4.568 ppm2      3.808 CV     1
 ASSI { 1969}
   (( segid " 1SG" and resid 12   and name HB2 ))
   (  segid " 1SG" and resid 22   and name HD1%)
      2.900     2.900     3.100 peak  1969 spectrum    1 weight  0.10000E+01 volume  0.15835E-02 ppm1      1.944 ppm2      0.544 CV     1
 ASSI { 1970}
   (  segid " 1SG" and resid 91   and name HG2%)
   (( segid " 1SG" and resid 38   and name HA  ))
      3.300     1.400     1.400 peak  1970 spectrum    1 weight  0.10000E+01 volume  0.15815E-02 ppm1      0.115 ppm2      3.907 CV     1
 ASSI { 1977}
   (  segid " 1SG" and resid 38   and name HG2%)
   (( segid " 1SG" and resid 35   and name HD2 ))
      3.000     1.100     1.100 peak  1977 spectrum    1 weight  0.10000E+01 volume  0.15759E-02 ppm1      0.817 ppm2      1.643 CV     1
 OR { 1977}
   (  segid " 1SG" and resid 38   and name HG2%)
   (( segid " 1SG" and resid 35   and name HD1 ))
 OR { 1977}
   (  segid " 1SG" and resid 38   and name HG1%)
   (( segid " 1SG" and resid 35   and name HD2 ))
 OR { 1977}
   (  segid " 1SG" and resid 38   and name HG1%)
   (( segid " 1SG" and resid 35   and name HD1 ))
 ASSI { 1987}
   (( segid " 1SG" and resid 36   and name HD2 ))
   (( segid " 1SG" and resid 35   and name HB1 ))
      2.700     0.900     0.900 peak  1987 spectrum    1 weight  0.10000E+01 volume  0.15615E-02 ppm1      3.509 ppm2      1.780 CV     1
 OR { 1987}
   (( segid " 1SG" and resid 36   and name HD2 ))
   (( segid " 1SG" and resid 35   and name HB2 ))
 ASSI { 1991}
   (  segid " 1SG" and resid 18   and name HG1%)
   (( segid " 1SG" and resid 81   and name HD2 ))
      3.900     1.900     1.900 peak  1991 spectrum    1 weight  0.10000E+01 volume  0.15567E-02 ppm1      1.013 ppm2      3.582 CV     1
 ASSI { 1993}
   (( segid " 1SG" and resid 71   and name HA  ))
   (( segid " 1SG" and resid 71   and name HB2 ))
      2.500     0.800     0.800 peak  1993 spectrum    1 weight  0.10000E+01 volume  0.15545E-02 ppm1      5.070 ppm2      1.269 CV     1
 ASSI { 1994}
   (( segid " 1SG" and resid 103  and name HA  ))
   (( segid " 1SG" and resid 86   and name HA2 ))
      2.700     0.900     0.900 peak  1994 spectrum    1 weight  0.10000E+01 volume  0.15540E-02 ppm1      5.554 ppm2      4.675 CV     1
 ASSI { 1996}
   (( segid " 1SG" and resid 81   and name HD2 ))
   (( segid " 1SG" and resid 80   and name HG1 ))
      2.700     0.900     0.900 peak  1996 spectrum    1 weight  0.10000E+01 volume  0.15527E-02 ppm1      3.576 ppm2      2.181 CV     1
 OR { 1996}
   (( segid " 1SG" and resid 81   and name HD2 ))
   (( segid " 1SG" and resid 80   and name HG2 ))
 ASSI { 2006}
   (( segid " 1SG" and resid 22   and name HA  ))
   (  segid " 1SG" and resid 22   and name HD1%)
      2.800     1.000     1.000 peak  2006 spectrum    1 weight  0.10000E+01 volume  0.15401E-02 ppm1      4.352 ppm2      0.547 CV     1
 ASSI { 2012}
   (( segid " 1SG" and resid 27   and name HB2 ))
   (  segid " 1SG" and resid 69   and name HG1%)
      2.700     0.900     0.900 peak  2012 spectrum    1 weight  0.10000E+01 volume  0.15365E-02 ppm1      1.600 ppm2      0.852 CV     1
 OR { 2012}
   (( segid " 1SG" and resid 27   and name HB1 ))
   (  segid " 1SG" and resid 69   and name HG1%)
 OR { 2012}
   (( segid " 1SG" and resid 27   and name HB1 ))
   (  segid " 1SG" and resid 69   and name HG2%)
 ASSI { 2013}
   (( segid " 1SG" and resid 53   and name HB  ))
   (( segid " 1SG" and resid 52   and name HG2 ))
      3.600     1.600     1.600 peak  2013 spectrum    1 weight  0.10000E+01 volume  0.15347E-02 ppm1      2.167 ppm2      1.347 CV     1
 OR { 2013}
   (( segid " 1SG" and resid 53   and name HB  ))
   (( segid " 1SG" and resid 52   and name HG1 ))
 ASSI { 2016}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 22   and name HA  ))
      3.200     1.300     1.300 peak  2016 spectrum    1 weight  0.10000E+01 volume  0.15330E-02 ppm1      0.604 ppm2      4.356 CV     1
 ASSI { 2017}
   (( segid " 1SG" and resid 90   and name HA  ))
   (( segid " 1SG" and resid 99   and name HA  ))
      2.700     0.900     0.900 peak  2017 spectrum    1 weight  0.10000E+01 volume  0.15326E-02 ppm1      4.768 ppm2      5.709 CV     1
 ASSI { 2018}
   (( segid " 1SG" and resid 68   and name HE2 ))
   (( segid " 1SG" and resid 37   and name HG2 ))
      2.300     2.300     3.700 peak  2018 spectrum    1 weight  0.10000E+01 volume  0.15312E-02 ppm1      3.019 ppm2      1.361 CV     1
 OR { 2018}
   (( segid " 1SG" and resid 68   and name HE1 ))
   (( segid " 1SG" and resid 37   and name HG2 ))
 OR { 2018}
   (( segid " 1SG" and resid 68   and name HE2 ))
   (( segid " 1SG" and resid 37   and name HB2 ))
 OR { 2018}
   (( segid " 1SG" and resid 68   and name HE1 ))
   (( segid " 1SG" and resid 37   and name HB2 ))
 ASSI { 2024}
   (  segid " 1SG" and resid 49   and name HD2%)
   (  segid " 1SG" and resid 87   and name HD% )
      2.700     0.900     0.900 peak  2024 spectrum    1 weight  0.10000E+01 volume  0.15239E-02 ppm1      1.029 ppm2      6.809 CV     1
 ASSI { 2025}
   (( segid " 1SG" and resid 4    and name HA  ))
   (( segid " 1SG" and resid 4    and name HG12))
      3.700     1.700     1.700 peak  2025 spectrum    1 weight  0.10000E+01 volume  0.15232E-02 ppm1      4.024 ppm2      1.245 CV     1
 ASSI { 2029}
   (( segid " 1SG" and resid 56   and name HA  ))
   (  segid " 1SG" and resid 77   and name HG2%)
      3.200     1.300     1.300 peak  2029 spectrum    1 weight  0.10000E+01 volume  0.15221E-02 ppm1      4.981 ppm2      1.049 CV     1
 ASSI { 2030}
   (  segid " 1SG" and resid 104  and name HD1%)
   (( segid " 1SG" and resid 15   and name HA  ))
      3.000     1.100     1.100 peak  2030 spectrum    1 weight  0.10000E+01 volume  0.15218E-02 ppm1      0.983 ppm2      5.499 CV     1
 ASSI { 2047}
   (( segid " 1SG" and resid 40   and name HB2 ))
   (( segid " 1SG" and resid 40   and name HD2 ))
      2.800     1.000     1.000 peak  2047 spectrum    1 weight  0.10000E+01 volume  0.15051E-02 ppm1      1.370 ppm2      1.689 CV     1
 OR { 2047}
   (( segid " 1SG" and resid 40   and name HB2 ))
   (( segid " 1SG" and resid 40   and name HD1 ))
 ASSI { 2066}
   (( segid " 1SG" and resid 10   and name HB2 ))
   (  segid " 1SG" and resid 26   and name HB% )
      3.600     3.600     2.400 peak  2066 spectrum    1 weight  0.10000E+01 volume  0.14841E-02 ppm1      1.238 ppm2      1.481 CV     1
 ASSI { 2073}
   (  segid " 1SG" and resid 76   and name HD1%)
   (  segid " 1SG" and resid 24   and name HE% )
      2.700     0.900     0.900 peak  2073 spectrum    1 weight  0.10000E+01 volume  0.14767E-02 ppm1      0.676 ppm2      7.166 CV     1
 ASSI { 2077}
   (( segid " 1SG" and resid 50   and name HA  ))
   (( segid " 1SG" and resid 52   and name HD2 ))
      3.300     3.300     2.700 peak  2077 spectrum    1 weight  0.10000E+01 volume  0.14742E-02 ppm1      4.015 ppm2      1.596 CV     1
 OR { 2077}
   (( segid " 1SG" and resid 50   and name HA  ))
   (( segid " 1SG" and resid 52   and name HD1 ))
 OR { 2077}
   (( segid " 1SG" and resid 50   and name HB2 ))
   (( segid " 1SG" and resid 52   and name HD2 ))
 OR { 2077}
   (( segid " 1SG" and resid 50   and name HB2 ))
   (( segid " 1SG" and resid 52   and name HD1 ))
 ASSI { 2078}
   (  segid " 1SG" and resid 69   and name HG1%)
   (( segid " 1SG" and resid 27   and name HA  ))
      3.200     1.300     1.300 peak  2078 spectrum    1 weight  0.10000E+01 volume  0.14722E-02 ppm1      0.856 ppm2      5.839 CV     1
 ASSI { 2079}
   (  segid " 1SG" and resid 77   and name HG2%)
   (( segid " 1SG" and resid 21   and name HB2 ))
      3.000     1.200     1.200 peak  2079 spectrum    1 weight  0.10000E+01 volume  0.14712E-02 ppm1      1.049 ppm2      3.757 CV     1
 ASSI { 2082}
   (( segid " 1SG" and resid 21   and name HA  ))
   (( segid " 1SG" and resid 20   and name HN  ))
      3.100     3.100     2.900 peak  2082 spectrum    1 weight  0.10000E+01 volume  0.14696E-02 ppm1      5.517 ppm2      8.843 CV     1
 ASSI { 2087}
   (( segid " 1SG" and resid 58   and name HG2 ))
   (( segid " 1SG" and resid 75   and name HB2 ))
      3.000     1.200     1.200 peak  2087 spectrum    1 weight  0.10000E+01 volume  0.14631E-02 ppm1      1.816 ppm2      2.887 CV     1
 OR { 2087}
   (( segid " 1SG" and resid 58   and name HG2 ))
   (( segid " 1SG" and resid 75   and name HB1 ))
 ASSI { 2091}
   (( segid " 1SG" and resid 38   and name HA  ))
   (( segid " 1SG" and resid 38   and name HB  ))
      2.900     1.100     1.100 peak  2091 spectrum    1 weight  0.10000E+01 volume  0.14608E-02 ppm1      3.896 ppm2      1.900 CV     1
 ASSI { 2110}
   (( segid " 1SG" and resid 37   and name HD2 ))
   (( segid " 1SG" and resid 37   and name HG2 ))
      2.600     0.800     0.800 peak  2110 spectrum    1 weight  0.10000E+01 volume  0.14463E-02 ppm1      2.368 ppm2      1.373 CV     1
 OR { 2110}
   (( segid " 1SG" and resid 37   and name HD2 ))
   (( segid " 1SG" and resid 37   and name HB2 ))
 ASSI { 2121}
   (( segid " 1SG" and resid 76   and name HA  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      3.100     1.200     1.200 peak  2121 spectrum    1 weight  0.10000E+01 volume  0.14381E-02 ppm1      5.017 ppm2      1.434 CV     1
 ASSI { 2125}
   (( segid " 1SG" and resid 73   and name HB2 ))
   (  segid " 1SG" and resid 23   and name HG2%)
      3.100     1.200     1.200 peak  2125 spectrum    1 weight  0.10000E+01 volume  0.14345E-02 ppm1      1.540 ppm2      0.786 CV     1
 ASSI { 2146}
   (( segid " 1SG" and resid 65   and name HD1 ))
   (  segid " 1SG" and resid 31   and name HB% )
      3.300     3.300     2.700 peak  2146 spectrum    1 weight  0.10000E+01 volume  0.14192E-02 ppm1      3.242 ppm2      1.551 CV     1
 OR { 2146}
   (( segid " 1SG" and resid 65   and name HD2 ))
   (  segid " 1SG" and resid 31   and name HB% )
 ASSI { 2158}
   (( segid " 1SG" and resid 22   and name HA  ))
   (( segid " 1SG" and resid 22   and name HG12))
      3.600     1.600     1.600 peak  2158 spectrum    1 weight  0.10000E+01 volume  0.14131E-02 ppm1      4.352 ppm2      0.101 CV     1
 ASSI { 2171}
   (( segid " 1SG" and resid 83   and name HA  ))
   (  segid " 1SG" and resid 83   and name HD% )
      2.700     0.900     0.900 peak  2171 spectrum    1 weight  0.10000E+01 volume  0.14036E-02 ppm1      4.623 ppm2      7.128 CV     1
 ASSI { 2173}
   (( segid " 1SG" and resid 48   and name HA  ))
   (( segid " 1SG" and resid 42   and name HA  ))
      2.900     1.100     1.100 peak  2173 spectrum    1 weight  0.10000E+01 volume  0.14005E-02 ppm1      4.223 ppm2      5.804 CV     1
 ASSI { 2179}
   (( segid " 1SG" and resid 102  and name HB2 ))
   (( segid " 1SG" and resid 100  and name HB2 ))
      3.700     3.700     2.300 peak  2179 spectrum    1 weight  0.10000E+01 volume  0.13975E-02 ppm1      2.746 ppm2      2.972 CV     1
 ASSI { 2183}
   (( segid " 1SG" and resid 77   and name HA  ))
   (( segid " 1SG" and resid 21   and name HB2 ))
      3.300     1.400     1.400 peak  2183 spectrum    1 weight  0.10000E+01 volume  0.13944E-02 ppm1      4.660 ppm2      3.760 CV     1
 ASSI { 2186}
   (( segid " 1SG" and resid 80   and name HG1 ))
   (( segid " 1SG" and resid 106  and name HB  ))
      3.400     3.400     2.600 peak  2186 spectrum    1 weight  0.10000E+01 volume  0.13927E-02 ppm1      2.159 ppm2      1.868 CV     1
 OR { 2186}
   (( segid " 1SG" and resid 80   and name HG2 ))
   (( segid " 1SG" and resid 106  and name HB  ))
 ASSI { 2192}
   (  segid " 1SG" and resid 76   and name HG2%)
   (  segid " 1SG" and resid 83   and name HD% )
      3.000     1.100     1.100 peak  2192 spectrum    1 weight  0.10000E+01 volume  0.13862E-02 ppm1      0.821 ppm2      7.134 CV     1
 ASSI { 2197}
   (( segid " 1SG" and resid 27   and name HD1 ))
   (( segid " 1SG" and resid 9    and name HB2 ))
      2.800     1.000     1.000 peak  2197 spectrum    1 weight  0.10000E+01 volume  0.13832E-02 ppm1      3.125 ppm2      1.911 CV     1
 OR { 2197}
   (( segid " 1SG" and resid 27   and name HD2 ))
   (( segid " 1SG" and resid 9    and name HB2 ))
 ASSI { 2202}
   (  segid " 1SG" and resid 39   and name HG1%)
   (  segid " 1SG" and resid 91   and name HG2%)
      3.700     1.700     1.700 peak  2202 spectrum    1 weight  0.10000E+01 volume  0.13807E-02 ppm1     -0.058 ppm2      0.160 CV     1
 ASSI { 2207}
   (( segid " 1SG" and resid 65   and name HA  ))
   (( segid " 1SG" and resid 68   and name HA  ))
      2.800     1.000     1.000 peak  2207 spectrum    1 weight  0.10000E+01 volume  0.13756E-02 ppm1      3.454 ppm2      3.592 CV     1
 ASSI { 2222}
   (( segid " 1SG" and resid 48   and name HA  ))
   (( segid " 1SG" and resid 48   and name HB2 ))
      3.100     1.200     1.200 peak  2222 spectrum    1 weight  0.10000E+01 volume  0.13623E-02 ppm1      4.212 ppm2      2.933 CV     1
 ASSI { 2226}
   (( segid " 1SG" and resid 45   and name HA  ))
   (  segid " 1SG" and resid 47   and name HG1%)
      3.500     3.500     2.500 peak  2226 spectrum    1 weight  0.10000E+01 volume  0.13594E-02 ppm1      3.493 ppm2      1.004 CV     1
 ASSI { 2227}
   (( segid " 1SG" and resid 104  and name HA  ))
   (( segid " 1SG" and resid 104  and name HG  ))
      2.900     1.100     1.100 peak  2227 spectrum    1 weight  0.10000E+01 volume  0.13580E-02 ppm1      5.435 ppm2      1.354 CV     1
 ASSI { 2232}
   (  segid " 1SG" and resid 22   and name HD1%)
   (( segid " 1SG" and resid 22   and name HA  ))
      2.900     1.000     1.000 peak  2232 spectrum    1 weight  0.10000E+01 volume  0.13537E-02 ppm1      0.551 ppm2      4.359 CV     1
 OR { 2232}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 22   and name HA  ))
 ASSI { 2236}
   (  segid " 1SG" and resid 16   and name HG1%)
   (( segid " 1SG" and resid 22   and name HG12))
      3.500     1.500     1.500 peak  2236 spectrum    1 weight  0.10000E+01 volume  0.13510E-02 ppm1      0.978 ppm2      0.115 CV     1
 ASSI { 2241}
   (( segid " 1SG" and resid 27   and name HD1 ))
   (( segid " 1SG" and resid 9    and name HG2 ))
      3.200     1.300     1.300 peak  2241 spectrum    1 weight  0.10000E+01 volume  0.13492E-02 ppm1      3.123 ppm2      2.513 CV     1
 OR { 2241}
   (( segid " 1SG" and resid 27   and name HD2 ))
   (( segid " 1SG" and resid 9    and name HG2 ))
 ASSI { 2243}
   (( segid " 1SG" and resid 28   and name HB  ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      2.700     0.900     0.900 peak  2243 spectrum    1 weight  0.10000E+01 volume  0.13480E-02 ppm1      1.975 ppm2      2.823 CV     1
 ASSI { 2255}
   (  segid " 1SG" and resid 77   and name HG2%)
   (( segid " 1SG" and resid 75   and name HB1 ))
      2.800     1.000     1.000 peak  2255 spectrum    1 weight  0.10000E+01 volume  0.13421E-02 ppm1      1.046 ppm2      2.909 CV     1
 ASSI { 2258}
   (( segid " 1SG" and resid 6    and name HB2 ))
   (  segid " 1SG" and resid 6    and name HD1%)
      2.800     1.000     1.000 peak  2258 spectrum    1 weight  0.10000E+01 volume  0.13406E-02 ppm1      0.963 ppm2      0.668 CV     1
 ASSI { 2267}
   (( segid " 1SG" and resid 49   and name HA  ))
   (( segid " 1SG" and resid 52   and name HG2 ))
      2.700     0.900     0.900 peak  2267 spectrum    1 weight  0.10000E+01 volume  0.13352E-02 ppm1      3.862 ppm2      1.350 CV     1
 OR { 2267}
   (( segid " 1SG" and resid 49   and name HA  ))
   (( segid " 1SG" and resid 52   and name HG1 ))
 ASSI { 2271}
   (( segid " 1SG" and resid 76   and name HB  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      3.600     1.600     1.600 peak  2271 spectrum    1 weight  0.10000E+01 volume  0.13318E-02 ppm1      1.936 ppm2      1.428 CV     1
 ASSI { 2279}
   (( segid " 1SG" and resid 88   and name HA  ))
   (( segid " 1SG" and resid 99   and name HB2 ))
      3.300     3.300     2.700 peak  2279 spectrum    1 weight  0.10000E+01 volume  0.13241E-02 ppm1      5.350 ppm2      2.743 CV     1
 ASSI { 2289}
   (  segid " 1SG" and resid 28   and name HG2%)
   (( segid " 1SG" and resid 37   and name HB2 ))
      3.500     1.500     1.500 peak  2289 spectrum    1 weight  0.10000E+01 volume  0.13170E-02 ppm1      0.647 ppm2      1.378 CV     1
 OR { 2289}
   (  segid " 1SG" and resid 28   and name HG2%)
   (( segid " 1SG" and resid 37   and name HG2 ))
 ASSI { 2293}
   (( segid " 1SG" and resid 31   and name HA  ))
   (( segid " 1SG" and resid 68   and name HG2 ))
      3.300     1.400     1.400 peak  2293 spectrum    1 weight  0.10000E+01 volume  0.13145E-02 ppm1      4.171 ppm2      1.264 CV     1
 OR { 2293}
   (( segid " 1SG" and resid 31   and name HA  ))
   (( segid " 1SG" and resid 68   and name HG1 ))
 ASSI { 2296}
   (  segid " 1SG" and resid 59   and name HD2%)
   (( segid " 1SG" and resid 41   and name HD1 ))
      3.100     1.200     1.200 peak  2296 spectrum    1 weight  0.10000E+01 volume  0.13115E-02 ppm1      0.713 ppm2      7.136 CV     1
 ASSI { 2297}
   (( segid " 1SG" and resid 33   and name HB2 ))
   (( segid " 1SG" and resid 93   and name HA  ))
      3.900     1.900     1.900 peak  2297 spectrum    1 weight  0.10000E+01 volume  0.13109E-02 ppm1      1.752 ppm2      4.754 CV     1
 ASSI { 2301}
   (( segid " 1SG" and resid 91   and name HB  ))
   (  segid " 1SG" and resid 39   and name HG2%)
      2.700     0.900     0.900 peak  2301 spectrum    1 weight  0.10000E+01 volume  0.13082E-02 ppm1      1.137 ppm2     -0.446 CV     1
 ASSI { 2310}
   (( segid " 1SG" and resid 70   and name HA  ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      3.200     1.200     1.200 peak  2310 spectrum    1 weight  0.10000E+01 volume  0.13015E-02 ppm1      4.744 ppm2      2.830 CV     1
 ASSI { 2317}
   (( segid " 1SG" and resid 93   and name HB  ))
   (  segid " 1SG" and resid 33   and name HD1%)
      3.300     1.400     1.400 peak  2317 spectrum    1 weight  0.10000E+01 volume  0.12982E-02 ppm1      4.559 ppm2      0.871 CV     1
 OR { 2317}
   (( segid " 1SG" and resid 93   and name HB  ))
   (  segid " 1SG" and resid 33   and name HD2%)
 ASSI { 2322}
   (( segid " 1SG" and resid 52   and name HD1 ))
   (  segid " 1SG" and resid 47   and name HG2%)
      3.600     1.700     1.700 peak  2322 spectrum    1 weight  0.10000E+01 volume  0.12956E-02 ppm1      1.614 ppm2      0.759 CV     1
 OR { 2322}
   (( segid " 1SG" and resid 52   and name HD2 ))
   (  segid " 1SG" and resid 47   and name HG2%)
 ASSI { 2331}
   (  segid " 1SG" and resid 106  and name HG1%)
   (( segid " 1SG" and resid 81   and name HA  ))
      2.700     0.900     0.900 peak  2331 spectrum    1 weight  0.10000E+01 volume  0.12911E-02 ppm1      0.693 ppm2      4.008 CV     1
 ASSI { 2335}
   (( segid " 1SG" and resid 39   and name HA  ))
   (( segid " 1SG" and resid 39   and name HB  ))
      2.900     1.100     1.100 peak  2335 spectrum    1 weight  0.10000E+01 volume  0.12860E-02 ppm1      4.804 ppm2      0.587 CV     1
 ASSI { 2340}
   (( segid " 1SG" and resid 98   and name HA  ))
   (( segid " 1SG" and resid 98   and name HB2 ))
      3.100     1.200     1.200 peak  2340 spectrum    1 weight  0.10000E+01 volume  0.12838E-02 ppm1      4.694 ppm2      2.296 CV     1
 ASSI { 2346}
   (( segid " 1SG" and resid 6    and name HB2 ))
   (  segid " 1SG" and resid 6    and name HD2%)
      2.900     1.000     1.000 peak  2346 spectrum    1 weight  0.10000E+01 volume  0.12794E-02 ppm1      0.963 ppm2      0.486 CV     1
 ASSI { 2362}
   (( segid " 1SG" and resid 7    and name HA  ))
   (( segid " 1SG" and resid 7    and name HB2 ))
      3.000     1.100     1.100 peak  2362 spectrum    1 weight  0.10000E+01 volume  0.12721E-02 ppm1      4.637 ppm2      2.585 CV     1
 ASSI { 2363}
   (( segid " 1SG" and resid 36   and name HA  ))
   (( segid " 1SG" and resid 36   and name HG2 ))
      3.600     1.600     1.600 peak  2363 spectrum    1 weight  0.10000E+01 volume  0.12713E-02 ppm1      4.009 ppm2      1.986 CV     1
 ASSI { 2364}
   (( segid " 1SG" and resid 81   and name HD2 ))
   (( segid " 1SG" and resid 80   and name HB1 ))
      3.300     1.300     1.300 peak  2364 spectrum    1 weight  0.10000E+01 volume  0.12711E-02 ppm1      3.586 ppm2      1.952 CV     1
 OR { 2364}
   (( segid " 1SG" and resid 81   and name HD2 ))
   (( segid " 1SG" and resid 80   and name HB2 ))
 ASSI { 2366}
   (  segid " 1SG" and resid 59   and name HD1%)
   (( segid " 1SG" and resid 59   and name HA  ))
      3.700     1.700     1.700 peak  2366 spectrum    1 weight  0.10000E+01 volume  0.12698E-02 ppm1      0.860 ppm2      5.189 CV     1
 ASSI { 2373}
   (( segid " 1SG" and resid 98   and name HB2 ))
   (( segid " 1SG" and resid 6    and name HB2 ))
      3.200     1.300     1.300 peak  2373 spectrum    1 weight  0.10000E+01 volume  0.12610E-02 ppm1      2.279 ppm2      0.921 CV     1
 ASSI { 2378}
   (( segid " 1SG" and resid 104  and name HA  ))
   (( segid " 1SG" and resid 104  and name HB2 ))
      2.700     0.900     0.900 peak  2378 spectrum    1 weight  0.10000E+01 volume  0.12583E-02 ppm1      5.436 ppm2      1.226 CV     1
 ASSI { 2382}
   (  segid " 1SG" and resid 76   and name HD1%)
   (( segid " 1SG" and resid 76   and name HA  ))
      3.600     1.600     1.600 peak  2382 spectrum    1 weight  0.10000E+01 volume  0.12552E-02 ppm1      0.679 ppm2      5.010 CV     1
 ASSI { 2392}
   (( segid " 1SG" and resid 43   and name HA  ))
   (( segid " 1SG" and resid 43   and name HB2 ))
      2.600     0.900     0.900 peak  2392 spectrum    1 weight  0.10000E+01 volume  0.12494E-02 ppm1      4.138 ppm2      1.232 CV     1
 ASSI { 2397}
   (( segid " 1SG" and resid 6    and name HA  ))
   (  segid " 1SG" and resid 29   and name HB% )
      2.800     1.000     1.000 peak  2397 spectrum    1 weight  0.10000E+01 volume  0.12477E-02 ppm1      4.459 ppm2      1.524 CV     1
 ASSI { 2402}
   (( segid " 1SG" and resid 101  and name HA  ))
   (( segid " 1SG" and resid 101  and name HB2 ))
      3.000     1.200     1.200 peak  2402 spectrum    1 weight  0.10000E+01 volume  0.12422E-02 ppm1      5.518 ppm2      2.697 CV     1
 ASSI { 2404}
   (  segid " 1SG" and resid 106  and name HG1%)
   (( segid " 1SG" and resid 83   and name HB2 ))
      2.900     1.100     1.100 peak  2404 spectrum    1 weight  0.10000E+01 volume  0.12415E-02 ppm1      0.689 ppm2      3.185 CV     1
 ASSI { 2405}
   (  segid " 1SG" and resid 26   and name HB% )
   (( segid " 1SG" and resid 72   and name HB2 ))
      3.100     1.200     1.200 peak  2405 spectrum    1 weight  0.10000E+01 volume  0.12408E-02 ppm1      1.468 ppm2      2.900 CV     1
 ASSI { 2422}
   (( segid " 1SG" and resid 77   and name HB  ))
   (( segid " 1SG" and resid 20   and name HA1 ))
      3.700     3.700     2.300 peak  2422 spectrum    1 weight  0.10000E+01 volume  0.12279E-02 ppm1      4.020 ppm2      3.721 CV     1
 ASSI { 2432}
   (( segid " 1SG" and resid 9    and name HB2 ))
   (( segid " 1SG" and resid 27   and name HB1 ))
      3.300     1.400     1.400 peak  2432 spectrum    1 weight  0.10000E+01 volume  0.12208E-02 ppm1      1.915 ppm2      1.587 CV     1
 OR { 2432}
   (( segid " 1SG" and resid 9    and name HB2 ))
   (( segid " 1SG" and resid 27   and name HB2 ))
 ASSI { 2438}
   (( segid " 1SG" and resid 41   and name HB2 ))
   (  segid " 1SG" and resid 49   and name HD2%)
      3.400     1.400     1.400 peak  2438 spectrum    1 weight  0.10000E+01 volume  0.12162E-02 ppm1      3.149 ppm2      1.032 CV     1
 ASSI { 2472}
   (( segid " 1SG" and resid 41   and name HA  ))
   (( segid " 1SG" and resid 41   and name HB2 ))
      3.100     1.200     1.200 peak  2472 spectrum    1 weight  0.10000E+01 volume  0.11906E-02 ppm1      5.478 ppm2      3.157 CV     1
 ASSI { 2478}
   (  segid " 1SG" and resid 49   and name HD2%)
   (( segid " 1SG" and resid 53   and name HN  ))
      3.700     1.700     1.700 peak  2478 spectrum    1 weight  0.10000E+01 volume  0.11827E-02 ppm1      1.042 ppm2      6.757 CV     1
 ASSI { 2484}
   (( segid " 1SG" and resid 103  and name HA  ))
   (( segid " 1SG" and resid 86   and name HA1 ))
      3.900     1.900     1.900 peak  2484 spectrum    1 weight  0.10000E+01 volume  0.11807E-02 ppm1      5.555 ppm2      3.498 CV     1
 ASSI { 2491}
   (( segid " 1SG" and resid 76   and name HA  ))
   (( segid " 1SG" and resid 76   and name HG12))
      2.700     0.900     0.900 peak  2491 spectrum    1 weight  0.10000E+01 volume  0.11764E-02 ppm1      5.014 ppm2      1.107 CV     1
 ASSI { 2498}
   (( segid " 1SG" and resid 69   and name HA  ))
   (( segid " 1SG" and resid 69   and name HB  ))
      3.000     1.100     1.100 peak  2498 spectrum    1 weight  0.10000E+01 volume  0.11691E-02 ppm1      4.599 ppm2      1.771 CV     1
 ASSI { 2500}
   (( segid " 1SG" and resid 3    and name HD2 ))
   (( segid " 1SG" and resid 3    and name HB1 ))
      3.500     1.500     1.500 peak  2500 spectrum    1 weight  0.10000E+01 volume  0.11660E-02 ppm1      3.865 ppm2      2.293 CV     1
 OR { 2500}
   (( segid " 1SG" and resid 3    and name HD1 ))
   (( segid " 1SG" and resid 3    and name HB2 ))
 OR { 2500}
   (( segid " 1SG" and resid 3    and name HD1 ))
   (( segid " 1SG" and resid 3    and name HB1 ))
 OR { 2500}
   (( segid " 1SG" and resid 3    and name HD2 ))
   (( segid " 1SG" and resid 3    and name HB2 ))
 ASSI { 2501}
   (( segid " 1SG" and resid 42   and name HA  ))
   (  segid " 1SG" and resid 49   and name HD1%)
      2.900     1.100     1.100 peak  2501 spectrum    1 weight  0.10000E+01 volume  0.11658E-02 ppm1      5.813 ppm2      1.783 CV     1
 ASSI { 2511}
   (( segid " 1SG" and resid 16   and name HB  ))
   (( segid " 1SG" and resid 22   and name HB  ))
      3.600     1.600     1.600 peak  2511 spectrum    1 weight  0.10000E+01 volume  0.11529E-02 ppm1      1.814 ppm2      1.533 CV     1
 ASSI { 2523}
   (  segid " 1SG" and resid 53   and name HG2%)
   (( segid " 1SG" and resid 43   and name HB2 ))
      4.000     2.000     2.000 peak  2523 spectrum    1 weight  0.10000E+01 volume  0.11477E-02 ppm1      1.111 ppm2      1.209 CV     1
 OR { 2523}
   (  segid " 1SG" and resid 53   and name HG1%)
   (( segid " 1SG" and resid 43   and name HB2 ))
 ASSI { 2528}
   (( segid " 1SG" and resid 6    and name HA  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.800     1.800     1.800 peak  2528 spectrum    1 weight  0.10000E+01 volume  0.11442E-02 ppm1      4.452 ppm2      0.493 CV     1
 ASSI { 2549}
   (  segid " 1SG" and resid 39   and name HG2%)
   (( segid " 1SG" and resid 37   and name HB2 ))
      2.800     1.000     1.000 peak  2549 spectrum    1 weight  0.10000E+01 volume  0.11291E-02 ppm1     -0.453 ppm2      1.391 CV     1
 ASSI { 2550}
   (( segid " 1SG" and resid 85   and name HA2 ))
   (( segid " 1SG" and resid 44   and name HA2 ))
      3.100     1.200     1.200 peak  2550 spectrum    1 weight  0.10000E+01 volume  0.11289E-02 ppm1      4.537 ppm2      3.813 CV     1
 ASSI { 2580}
   (  segid " 1SG" and resid 59   and name HD1%)
   (( segid " 1SG" and resid 41   and name HD1 ))
      2.900     1.100     1.100 peak  2580 spectrum    1 weight  0.10000E+01 volume  0.11035E-02 ppm1      0.866 ppm2      7.141 CV     1
 ASSI { 2591}
   (( segid " 1SG" and resid 43   and name HA  ))
   (( segid " 1SG" and resid 43   and name HG2 ))
      3.300     1.400     1.400 peak  2591 spectrum    1 weight  0.10000E+01 volume  0.10947E-02 ppm1      4.134 ppm2      0.081 CV     1
 ASSI { 2595}
   (( segid " 1SG" and resid 108  and name HA  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.900     1.900     1.900 peak  2595 spectrum    1 weight  0.10000E+01 volume  0.10930E-02 ppm1      4.150 ppm2      0.398 CV     1
 ASSI { 2607}
   (  segid " 1SG" and resid 104  and name HD2%)
   (( segid " 1SG" and resid 104  and name HA  ))
      3.900     1.900     1.900 peak  2607 spectrum    1 weight  0.10000E+01 volume  0.10822E-02 ppm1      0.833 ppm2      5.446 CV     1
 ASSI {   29}
   (  segid " 1SG" and resid 97   and name HD% )
   (  segid " 1SG" and resid 97   and name HE% )
      2.100     0.600     0.600 peak    29 spectrum    1 weight  0.10000E+01 volume  0.81086E-02 ppm1      7.085 ppm2      7.264 CV     1
 ASSI {   35}
   (  segid " 1SG" and resid 42   and name HE% )
   (( segid " 1SG" and resid 42   and name HZ  ))
      2.200     0.600     0.600 peak    35 spectrum    1 weight  0.10000E+01 volume  0.69858E-02 ppm1      7.079 ppm2      7.178 CV     1
 ASSI {   46}
   (  segid " 1SG" and resid 70   and name HD% )
   (( segid " 1SG" and resid 70   and name HB2 ))
      2.100     0.500     0.500 peak    46 spectrum    1 weight  0.10000E+01 volume  0.73682E-02 ppm1      7.029 ppm2      2.797 CV     1
 ASSI {   51}
   (  segid " 1SG" and resid 87   and name HD% )
   (  segid " 1SG" and resid 76   and name HD1%)
      2.100     2.100     3.900 peak    51 spectrum    1 weight  0.10000E+01 volume  0.73682E-02 ppm1      6.766 ppm2      0.633 CV     1
 ASSI {   53}
   (  segid " 1SG" and resid 42   and name HD% )
   (  segid " 1SG" and resid 42   and name HE% )
      2.400     0.700     0.700 peak    53 spectrum    1 weight  0.10000E+01 volume  0.36188E-02 ppm1      6.664 ppm2      7.098 CV     1
 ASSI {   62}
   (  segid " 1SG" and resid 87   and name HE% )
   (  segid " 1SG" and resid 104  and name HD1%)
      2.700     0.900     0.900 peak    62 spectrum    1 weight  0.10000E+01 volume  0.73682E-02 ppm1      6.552 ppm2      0.945 CV     1
 ASSI {   63}
   (  segid " 1SG" and resid 87   and name HE% )
   (( segid " 1SG" and resid 57   and name HG  ))
      2.000     2.000     4.000 peak    63 spectrum    1 weight  0.10000E+01 volume  0.73682E-02 ppm1      6.553 ppm2      0.751 CV     1
 ASSI {   66}
   (  segid " 1SG" and resid 83   and name HE% )
   (( segid " 1SG" and resid 46   and name HZ2 ))
      2.600     2.600     3.400 peak    66 spectrum    1 weight  0.10000E+01 volume  0.26651E-02 ppm1      7.259 ppm2      7.400 CV     1
 ASSI {   77}
   (  segid " 1SG" and resid 63   and name HE% )
   (  segid " 1SG" and resid 63   and name HD% )
      2.600     0.900     0.900 peak    77 spectrum    1 weight  0.10000E+01 volume  0.20544E-02 ppm1      6.071 ppm2      5.874 CV     1
 ASSI {   87}
   (( segid " 1SG" and resid 46   and name HH2 ))
   (( segid " 1SG" and resid 46   and name HZ2 ))
      2.800     1.000     1.000 peak    87 spectrum    1 weight  0.10000E+01 volume  0.17356E-02 ppm1      7.111 ppm2      7.374 CV     1
 ASSI {   97}
   (  segid " 1SG" and resid 70   and name HE% )
   (  segid " 1SG" and resid 70   and name HD% )
      2.700     0.900     0.900 peak    97 spectrum    1 weight  0.10000E+01 volume  0.14688E-02 ppm1      6.595 ppm2      7.034 CV     1
 ASSI {  100}
   (( segid " 1SG" and resid 46   and name HD1 ))
   (( segid " 1SG" and resid 45   and name HA  ))
      2.500     2.500     3.500 peak   100 spectrum    1 weight  0.10000E+01 volume  0.73682E-02 ppm1      7.109 ppm2      3.482 CV     1
 ASSI {  104}
   (( segid " 1SG" and resid 46   and name HD1 ))
   (( segid " 1SG" and resid 46   and name HB2 ))
      2.600     0.800     0.800 peak   104 spectrum    1 weight  0.10000E+01 volume  0.73682E-02 ppm1      7.109 ppm2      3.051 CV     1
 ASSI {  109}
   (  segid " 1SG" and resid 87   and name HD% )
   (  segid " 1SG" and resid 87   and name HE% )
      2.600     0.800     0.800 peak   109 spectrum    1 weight  0.10000E+01 volume  0.13142E-02 ppm1      6.767 ppm2      6.573 CV     1
 ASSI {  120}
   (  segid " 1SG" and resid 102  and name HD% )
   (  segid " 1SG" and resid 102  and name HE% )
      2.100     0.500     0.500 peak   120 spectrum    1 weight  0.10000E+01 volume  0.73682E-02 ppm1      6.778 ppm2      7.092 CV     1
 ASSI {  125}
   (( segid " 1SG" and resid 56   and name HE1 ))
   (( segid " 1SG" and resid 57   and name HG  ))
      3.200     1.300     1.300 peak   125 spectrum    1 weight  0.10000E+01 volume  0.11134E-02 ppm1      7.630 ppm2      0.738 CV     1
 ASSI {  168}
   (  segid " 1SG" and resid 83   and name HD% )
   (( segid " 1SG" and resid 80   and name HN  ))
      2.000     0.500     0.500 peak   168 spectrum    1 weight  0.10000E+01 volume  0.73682E-02 ppm1      7.090 ppm2      5.565 CV     1
 ASSI {  180}
   (( segid " 1SG" and resid 75   and name HE1 ))
   (( segid " 1SG" and resid 75   and name HB2 ))
      2.500     2.500     3.500 peak   180 spectrum    1 weight  0.10000E+01 volume  0.72409E-02 ppm1      8.255 ppm2      2.876 CV     1
 OR {  180}
   (( segid " 1SG" and resid 75   and name HE1 ))
   (( segid " 1SG" and resid 75   and name HB1 ))
 ASSI {  186}
   (  segid " 1SG" and resid 83   and name HD% )
   (  segid " 1SG" and resid 47   and name HG2%)
      2.200     2.200     3.800 peak   186 spectrum    1 weight  0.10000E+01 volume  0.72409E-02 ppm1      7.088 ppm2      0.769 CV     1
 ASSI {  187}
   (  segid " 1SG" and resid 24   and name HD% )
   (  segid " 1SG" and resid 24   and name HE% )
      2.100     0.500     0.500 peak   187 spectrum    1 weight  0.10000E+01 volume  0.72409E-02 ppm1      6.951 ppm2      7.189 CV     1
 ASSI {  189}
   (  segid " 1SG" and resid 83   and name HE% )
   (( segid " 1SG" and resid 57   and name HG  ))
      2.400     2.400     3.600 peak   189 spectrum    1 weight  0.10000E+01 volume  0.72409E-02 ppm1      7.258 ppm2      0.724 CV     1
 ASSI {  190}
   (  segid " 1SG" and resid 83   and name HD% )
   (  segid " 1SG" and resid 83   and name HE% )
      2.100     0.500     0.500 peak   190 spectrum    1 weight  0.10000E+01 volume  0.72707E-02 ppm1      7.090 ppm2      7.269 CV     1
 ASSI {  192}
   (  segid " 1SG" and resid 63   and name HE% )
   (( segid " 1SG" and resid 65   and name HG2 ))
      2.100     0.500     0.500 peak   192 spectrum    1 weight  0.10000E+01 volume  0.72703E-02 ppm1      6.071 ppm2      1.670 CV     1
 OR {  192}
   (  segid " 1SG" and resid 63   and name HE% )
   (( segid " 1SG" and resid 65   and name HG1 ))
 ASSI {  195}
   (( segid " 1SG" and resid 41   and name HZ2 ))
   (( segid " 1SG" and resid 41   and name HH2 ))
      2.100     0.500     0.500 peak   195 spectrum    1 weight  0.10000E+01 volume  0.72703E-02 ppm1      7.080 ppm2      6.606 CV     1
 ASSI {    7}
   (( segid " 1SG" and resid 12   and name HE22))
   (( segid " 1SG" and resid 12   and name HE21))
      1.400     0.200     0.800 peak     7 spectrum    1 weight  0.10000E+01 volume  0.70886E-01 ppm1      6.922 ppm2      7.453 CV     1
 ASSI {   15}
   (( segid " 1SG" and resid 103  and name HD21))
   (( segid " 1SG" and resid 103  and name HD22))
      1.600     0.300     0.600 peak    15 spectrum    1 weight  0.10000E+01 volume  0.34732E-01 ppm1      7.722 ppm2      6.746 CV     1
 ASSI {   22}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 58   and name HE22))
      1.600     0.300     0.600 peak    22 spectrum    1 weight  0.10000E+01 volume  0.27368E-01 ppm1      7.438 ppm2      6.684 CV     1
 ASSI {   38}
   (( segid " 1SG" and resid 80   and name HE21))
   (( segid " 1SG" and resid 80   and name HE22))
      1.700     0.400     0.500 peak    38 spectrum    1 weight  0.10000E+01 volume  0.20523E-01 ppm1      6.985 ppm2      6.648 CV     1
 ASSI {   41}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 107  and name HA  ))
      2.000     0.500     0.500 peak    41 spectrum    1 weight  0.10000E+01 volume  0.19769E-01 ppm1      8.564 ppm2      4.843 CV     1
 ASSI {   51}
   (( segid " 1SG" and resid 66   and name HN  ))
   (  segid " 1SG" and resid 66   and name HB% )
      2.200     0.600     0.600 peak    51 spectrum    1 weight  0.10000E+01 volume  0.17677E-01 ppm1      8.106 ppm2      1.408 CV     1
 ASSI {   59}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 46   and name HD1 ))
      2.200     0.600     0.600 peak    59 spectrum    1 weight  0.10000E+01 volume  0.15461E-01 ppm1     10.116 ppm2      7.133 CV     1
 ASSI {   60}
   (( segid " 1SG" and resid 61   and name HN  ))
   (( segid " 1SG" and resid 60   and name HA  ))
      2.200     0.600     0.600 peak    60 spectrum    1 weight  0.10000E+01 volume  0.15186E-01 ppm1      8.180 ppm2      5.068 CV     1
 ASSI {   62}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 38   and name HA  ))
      2.000     0.500     0.500 peak    62 spectrum    1 weight  0.10000E+01 volume  0.14992E-01 ppm1      7.892 ppm2      3.893 CV     1
 ASSI {   64}
   (( segid " 1SG" and resid 17   and name HN  ))
   (( segid " 1SG" and resid 16   and name HA  ))
      2.200     0.600     0.600 peak    64 spectrum    1 weight  0.10000E+01 volume  0.14656E-01 ppm1      7.900 ppm2      4.580 CV     1
 ASSI {   67}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (( segid " 1SG" and resid 41   and name HD1 ))
      2.100     0.600     0.600 peak    67 spectrum    1 weight  0.10000E+01 volume  0.14087E-01 ppm1     10.780 ppm2      7.129 CV     1
 ASSI {   72}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 12   and name HA  ))
      2.200     0.600     0.600 peak    72 spectrum    1 weight  0.10000E+01 volume  0.12872E-01 ppm1      8.312 ppm2      4.679 CV     1
 ASSI {   80}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 95   and name HA  ))
      2.100     2.100     3.900 peak    80 spectrum    1 weight  0.10000E+01 volume  0.12102E-01 ppm1      7.969 ppm2      4.735 CV     1
 ASSI {   81}
   (( segid " 1SG" and resid 53   and name HN  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      1.900     0.500     0.500 peak    81 spectrum    1 weight  0.10000E+01 volume  0.11914E-01 ppm1      6.764 ppm2      1.067 CV     1
 ASSI {   83}
   (( segid " 1SG" and resid 84   and name HN  ))
   (( segid " 1SG" and resid 84   and name HA  ))
      2.200     0.600     0.600 peak    83 spectrum    1 weight  0.10000E+01 volume  0.11416E-01 ppm1      7.867 ppm2      4.225 CV     1
 OR {   83}
   (( segid " 1SG" and resid 84   and name HN  ))
   (( segid " 1SG" and resid 84   and name HB  ))
 ASSI {   84}
   (( segid " 1SG" and resid 21   and name HN  ))
   (( segid " 1SG" and resid 20   and name HA1 ))
      2.100     0.500     0.500 peak    84 spectrum    1 weight  0.10000E+01 volume  0.11173E-01 ppm1      8.170 ppm2      3.727 CV     1
 ASSI {   85}
   (( segid " 1SG" and resid 79   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      2.200     0.600     0.600 peak    85 spectrum    1 weight  0.10000E+01 volume  0.11128E-01 ppm1      8.974 ppm2      1.174 CV     1
 ASSI {   95}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 53   and name HA  ))
      2.100     0.600     0.600 peak    95 spectrum    1 weight  0.10000E+01 volume  0.10170E-01 ppm1      9.019 ppm2      4.049 CV     1
 ASSI {  102}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 93   and name HA  ))
      2.800     2.800     3.200 peak   102 spectrum    1 weight  0.10000E+01 volume  0.99369E-02 ppm1      7.511 ppm2      4.762 CV     1
 ASSI {  111}
   (( segid " 1SG" and resid 93   and name HN  ))
   (( segid " 1SG" and resid 92   and name HA  ))
      2.300     0.600     0.600 peak   111 spectrum    1 weight  0.10000E+01 volume  0.94048E-02 ppm1      8.557 ppm2      5.243 CV     1
 ASSI {  112}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 58   and name HA  ))
      2.100     0.600     0.600 peak   112 spectrum    1 weight  0.10000E+01 volume  0.93453E-02 ppm1      8.381 ppm2      4.632 CV     1
 ASSI {  114}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 64   and name HA  ))
      2.200     0.600     0.600 peak   114 spectrum    1 weight  0.10000E+01 volume  0.91037E-02 ppm1      8.306 ppm2      4.576 CV     1
 ASSI {  116}
   (( segid " 1SG" and resid 48   and name HN  ))
   (( segid " 1SG" and resid 47   and name HA  ))
      2.200     0.600     0.600 peak   116 spectrum    1 weight  0.10000E+01 volume  0.89537E-02 ppm1      8.397 ppm2      4.057 CV     1
 ASSI {  117}
   (( segid " 1SG" and resid 21   and name HN  ))
   (( segid " 1SG" and resid 20   and name HA2 ))
      3.000     1.100     1.100 peak   117 spectrum    1 weight  0.10000E+01 volume  0.89526E-02 ppm1      8.169 ppm2      4.378 CV     1
 ASSI {  120}
   (( segid " 1SG" and resid 23   and name HN  ))
   (( segid " 1SG" and resid 22   and name HA  ))
      2.200     0.600     0.600 peak   120 spectrum    1 weight  0.10000E+01 volume  0.88814E-02 ppm1      7.914 ppm2      4.342 CV     1
 ASSI {  122}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 59   and name HA  ))
      2.100     0.600     0.600 peak   122 spectrum    1 weight  0.10000E+01 volume  0.88315E-02 ppm1      8.687 ppm2      5.184 CV     1
 ASSI {  123}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 21   and name HA  ))
      2.200     0.600     0.600 peak   123 spectrum    1 weight  0.10000E+01 volume  0.87656E-02 ppm1      8.888 ppm2      5.491 CV     1
 ASSI {  125}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 57   and name HA  ))
      2.000     0.500     0.500 peak   125 spectrum    1 weight  0.10000E+01 volume  0.87099E-02 ppm1      8.940 ppm2      5.399 CV     1
 ASSI {  126}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 61   and name HA  ))
      2.000     0.500     0.500 peak   126 spectrum    1 weight  0.10000E+01 volume  0.86874E-02 ppm1      8.849 ppm2      5.560 CV     1
 ASSI {  128}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 53   and name HB  ))
      2.300     0.700     0.700 peak   128 spectrum    1 weight  0.10000E+01 volume  0.86033E-02 ppm1      6.764 ppm2      2.128 CV     1
 ASSI {  130}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 4    and name HB  ))
      2.000     0.500     0.500 peak   130 spectrum    1 weight  0.10000E+01 volume  0.84929E-02 ppm1      8.264 ppm2      2.024 CV     1
 ASSI {  133}
   (( segid " 1SG" and resid 77   and name HN  ))
   (( segid " 1SG" and resid 76   and name HA  ))
      2.100     0.600     0.600 peak   133 spectrum    1 weight  0.10000E+01 volume  0.83343E-02 ppm1      8.717 ppm2      4.983 CV     1
 ASSI {  135}
   (( segid " 1SG" and resid 85   and name HN  ))
   (( segid " 1SG" and resid 84   and name HA  ))
      2.300     0.700     0.700 peak   135 spectrum    1 weight  0.10000E+01 volume  0.82802E-02 ppm1      9.407 ppm2      4.227 CV     1
 OR {  135}
   (( segid " 1SG" and resid 85   and name HN  ))
   (( segid " 1SG" and resid 84   and name HB  ))
 ASSI {  137}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 66   and name HA  ))
      2.500     0.800     0.800 peak   137 spectrum    1 weight  0.10000E+01 volume  0.82593E-02 ppm1      8.106 ppm2      4.123 CV     1
 ASSI {  140}
   (( segid " 1SG" and resid 29   and name HN  ))
   (  segid " 1SG" and resid 29   and name HB% )
      2.300     0.700     0.700 peak   140 spectrum    1 weight  0.10000E+01 volume  0.80118E-02 ppm1      8.854 ppm2      1.508 CV     1
 ASSI {  142}
   (( segid " 1SG" and resid 47   and name HN  ))
   (  segid " 1SG" and resid 47   and name HG1%)
      2.800     0.900     0.900 peak   142 spectrum    1 weight  0.10000E+01 volume  0.79796E-02 ppm1      7.291 ppm2      0.977 CV     1
 ASSI {  145}
   (( segid " 1SG" and resid 18   and name HN  ))
   (  segid " 1SG" and resid 18   and name HG2%)
      2.100     0.500     0.500 peak   145 spectrum    1 weight  0.10000E+01 volume  0.79083E-02 ppm1      8.005 ppm2      0.939 CV     1
 ASSI {  147}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 96   and name HA  ))
      2.200     0.600     0.600 peak   147 spectrum    1 weight  0.10000E+01 volume  0.78666E-02 ppm1      8.065 ppm2      4.772 CV     1
 ASSI {  148}
   (( segid " 1SG" and resid 12   and name HE21))
   (( segid " 1SG" and resid 12   and name HG2 ))
      2.400     0.700     0.700 peak   148 spectrum    1 weight  0.10000E+01 volume  0.78371E-02 ppm1      7.451 ppm2      2.471 CV     1
 OR {  148}
   (( segid " 1SG" and resid 12   and name HE21))
   (( segid " 1SG" and resid 12   and name HG1 ))
 ASSI {  150}
   (( segid " 1SG" and resid 101  and name HD22))
   (( segid " 1SG" and resid 12   and name HE21))
      2.000     2.000     4.000 peak   150 spectrum    1 weight  0.10000E+01 volume  0.77905E-02 ppm1      6.723 ppm2      7.459 CV     1
 ASSI {  152}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 108  and name HB2 ))
      2.400     0.700     0.700 peak   152 spectrum    1 weight  0.10000E+01 volume  0.77578E-02 ppm1      8.564 ppm2      1.911 CV     1
 ASSI {  155}
   (( segid " 1SG" and resid 19   and name HN  ))
   (( segid " 1SG" and resid 18   and name HA  ))
      2.100     0.600     0.600 peak   155 spectrum    1 weight  0.10000E+01 volume  0.75938E-02 ppm1      9.827 ppm2      3.479 CV     1
 ASSI {  156}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 14   and name HA2 ))
      2.300     0.600     0.600 peak   156 spectrum    1 weight  0.10000E+01 volume  0.75488E-02 ppm1      8.504 ppm2      4.931 CV     1
 ASSI {  159}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 78   and name HA  ))
      2.300     0.700     0.700 peak   159 spectrum    1 weight  0.10000E+01 volume  0.74315E-02 ppm1      8.974 ppm2      4.103 CV     1
 ASSI {  160}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 39   and name HA  ))
      2.100     0.500     0.500 peak   160 spectrum    1 weight  0.10000E+01 volume  0.72552E-02 ppm1      8.694 ppm2      4.799 CV     1
 ASSI {  161}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 37   and name HA  ))
      2.200     0.600     0.600 peak   161 spectrum    1 weight  0.10000E+01 volume  0.72059E-02 ppm1      8.374 ppm2      4.490 CV     1
 ASSI {  164}
   (( segid " 1SG" and resid 29   and name HN  ))
   (( segid " 1SG" and resid 28   and name HA  ))
      2.100     0.600     0.600 peak   164 spectrum    1 weight  0.10000E+01 volume  0.71336E-02 ppm1      8.854 ppm2      4.898 CV     1
 ASSI {  166}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 1    and name HA  ))
      2.000     0.500     0.500 peak   166 spectrum    1 weight  0.10000E+01 volume  0.70232E-02 ppm1      8.116 ppm2      4.614 CV     1
 ASSI {  167}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 24   and name HA  ))
      2.300     0.700     0.700 peak   167 spectrum    1 weight  0.10000E+01 volume  0.69686E-02 ppm1      8.399 ppm2      4.620 CV     1
 ASSI {  169}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 40   and name HA  ))
      2.200     0.600     0.600 peak   169 spectrum    1 weight  0.10000E+01 volume  0.69444E-02 ppm1      9.308 ppm2      4.547 CV     1
 ASSI {  170}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 107  and name HB2 ))
      3.100     1.200     1.200 peak   170 spectrum    1 weight  0.10000E+01 volume  0.68973E-02 ppm1      8.564 ppm2      3.074 CV     1
 OR {  170}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 107  and name HB1 ))
 ASSI {  175}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 23   and name HA  ))
      2.200     0.600     0.600 peak   175 spectrum    1 weight  0.10000E+01 volume  0.67607E-02 ppm1      9.240 ppm2      5.100 CV     1
 ASSI {  176}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 91   and name HA  ))
      2.200     0.600     0.600 peak   176 spectrum    1 weight  0.10000E+01 volume  0.67124E-02 ppm1      8.734 ppm2      4.747 CV     1
 ASSI {  177}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 78   and name HA  ))
      2.300     0.600     0.600 peak   177 spectrum    1 weight  0.10000E+01 volume  0.65973E-02 ppm1      8.053 ppm2      4.102 CV     1
 ASSI {  179}
   (( segid " 1SG" and resid 67   and name HN  ))
   (  segid " 1SG" and resid 66   and name HB% )
      2.600     0.900     0.900 peak   179 spectrum    1 weight  0.10000E+01 volume  0.65876E-02 ppm1      7.421 ppm2      1.408 CV     1
 ASSI {  180}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 3    and name HA  ))
      2.300     0.700     0.700 peak   180 spectrum    1 weight  0.10000E+01 volume  0.65265E-02 ppm1      8.264 ppm2      4.443 CV     1
 ASSI {  181}
   (( segid " 1SG" and resid 101  and name HD21))
   (( segid " 1SG" and resid 101  and name HD22))
      2.000     0.500     0.500 peak   181 spectrum    1 weight  0.10000E+01 volume  0.65083E-02 ppm1      7.438 ppm2      6.719 CV     1
 ASSI {  184}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 108  and name HA  ))
      2.400     0.700     0.700 peak   184 spectrum    1 weight  0.10000E+01 volume  0.63711E-02 ppm1      8.564 ppm2      4.141 CV     1
 ASSI {  186}
   (( segid " 1SG" and resid 30   and name HN  ))
   (( segid " 1SG" and resid 29   and name HA  ))
      2.300     0.600     0.600 peak   186 spectrum    1 weight  0.10000E+01 volume  0.63133E-02 ppm1      8.591 ppm2      4.384 CV     1
 ASSI {  189}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 77   and name HA  ))
      2.200     0.600     0.600 peak   189 spectrum    1 weight  0.10000E+01 volume  0.61863E-02 ppm1      8.053 ppm2      4.655 CV     1
 ASSI {  191}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 20   and name HA1 ))
      2.400     0.700     0.700 peak   191 spectrum    1 weight  0.10000E+01 volume  0.60893E-02 ppm1      8.825 ppm2      3.727 CV     1
 ASSI {  192}
   (( segid " 1SG" and resid 68   and name HN  ))
   (( segid " 1SG" and resid 68   and name HA  ))
      2.300     0.700     0.700 peak   192 spectrum    1 weight  0.10000E+01 volume  0.60588E-02 ppm1      7.877 ppm2      3.593 CV     1
 ASSI {  193}
   (( segid " 1SG" and resid 17   and name HN  ))
   (( segid " 1SG" and resid 17   and name HB  ))
      2.600     0.800     0.800 peak   193 spectrum    1 weight  0.10000E+01 volume  0.60427E-02 ppm1      7.899 ppm2      4.062 CV     1
 ASSI {  194}
   (( segid " 1SG" and resid 69   and name HN  ))
   (  segid " 1SG" and resid 69   and name HG2%)
      2.600     0.900     0.900 peak   194 spectrum    1 weight  0.10000E+01 volume  0.60336E-02 ppm1      6.899 ppm2      0.850 CV     1
 OR {  194}
   (( segid " 1SG" and resid 69   and name HN  ))
   (  segid " 1SG" and resid 69   and name HG1%)
 ASSI {  197}
   (( segid " 1SG" and resid 39   and name HN  ))
   (  segid " 1SG" and resid 38   and name HG2%)
      3.400     1.400     1.400 peak   197 spectrum    1 weight  0.10000E+01 volume  0.59714E-02 ppm1      7.892 ppm2      0.789 CV     1
 ASSI {  198}
   (( segid " 1SG" and resid 63   and name HN  ))
   (( segid " 1SG" and resid 62   and name HA  ))
      2.500     0.800     0.800 peak   198 spectrum    1 weight  0.10000E+01 volume  0.59232E-02 ppm1      8.517 ppm2      4.602 CV     1
 ASSI {  199}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 13   and name HA  ))
      2.800     1.000     1.000 peak   199 spectrum    1 weight  0.10000E+01 volume  0.59029E-02 ppm1      9.183 ppm2      5.338 CV     1
 ASSI {  200}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 72   and name HA  ))
      2.200     0.600     0.600 peak   200 spectrum    1 weight  0.10000E+01 volume  0.58739E-02 ppm1      9.450 ppm2      5.366 CV     1
 ASSI {  201}
   (( segid " 1SG" and resid 12   and name HN  ))
   (( segid " 1SG" and resid 11   and name HA  ))
      2.400     0.700     0.700 peak   201 spectrum    1 weight  0.10000E+01 volume  0.58691E-02 ppm1      8.345 ppm2      4.804 CV     1
 ASSI {  202}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 46   and name HZ2 ))
      2.700     0.900     0.900 peak   202 spectrum    1 weight  0.10000E+01 volume  0.58643E-02 ppm1     10.116 ppm2      7.380 CV     1
 ASSI {  203}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 52   and name HN  ))
      2.300     0.600     0.600 peak   203 spectrum    1 weight  0.10000E+01 volume  0.58364E-02 ppm1      6.764 ppm2      7.787 CV     1
 ASSI {  204}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 20   and name HA2 ))
      2.800     1.000     1.000 peak   204 spectrum    1 weight  0.10000E+01 volume  0.58134E-02 ppm1      8.825 ppm2      4.373 CV     1
 ASSI {  206}
   (( segid " 1SG" and resid 26   and name HN  ))
   (( segid " 1SG" and resid 25   and name HA  ))
      2.300     0.700     0.700 peak   206 spectrum    1 weight  0.10000E+01 volume  0.57030E-02 ppm1      9.497 ppm2      5.685 CV     1
 ASSI {  208}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 105  and name HA  ))
      2.300     0.700     0.700 peak   208 spectrum    1 weight  0.10000E+01 volume  0.56805E-02 ppm1      8.151 ppm2      4.533 CV     1
 ASSI {  211}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 14   and name HA1 ))
      3.000     1.100     1.100 peak   211 spectrum    1 weight  0.10000E+01 volume  0.56473E-02 ppm1      8.504 ppm2      3.743 CV     1
 ASSI {  212}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HB1 ))
      2.500     0.800     0.800 peak   212 spectrum    1 weight  0.10000E+01 volume  0.56419E-02 ppm1      8.305 ppm2      1.753 CV     1
 OR {  212}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HB2 ))
 ASSI {  216}
   (( segid " 1SG" and resid 12   and name HE22))
   (( segid " 1SG" and resid 12   and name HG2 ))
      3.300     1.300     1.300 peak   216 spectrum    1 weight  0.10000E+01 volume  0.55932E-02 ppm1      6.922 ppm2      2.472 CV     1
 OR {  216}
   (( segid " 1SG" and resid 12   and name HE22))
   (( segid " 1SG" and resid 12   and name HG1 ))
 ASSI {  217}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 76   and name HG12))
      3.400     3.400     2.600 peak   217 spectrum    1 weight  0.10000E+01 volume  0.55733E-02 ppm1      9.019 ppm2      1.097 CV     1
 ASSI {  219}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 67   and name HN  ))
      2.400     0.700     0.700 peak   219 spectrum    1 weight  0.10000E+01 volume  0.55482E-02 ppm1      8.106 ppm2      7.421 CV     1
 ASSI {  220}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 2    and name HB2 ))
      2.100     0.500     0.500 peak   220 spectrum    1 weight  0.10000E+01 volume  0.54860E-02 ppm1      8.116 ppm2      2.658 CV     1
 ASSI {  221}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 39   and name HB  ))
      2.600     0.800     0.800 peak   221 spectrum    1 weight  0.10000E+01 volume  0.53965E-02 ppm1      7.890 ppm2      0.582 CV     1
 ASSI {  222}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 35   and name HA  ))
      2.500     0.800     0.800 peak   222 spectrum    1 weight  0.10000E+01 volume  0.53558E-02 ppm1      7.511 ppm2      4.664 CV     1
 ASSI {  223}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 74   and name HA  ))
      2.300     0.600     0.600 peak   223 spectrum    1 weight  0.10000E+01 volume  0.53477E-02 ppm1      9.151 ppm2      4.330 CV     1
 ASSI {  228}
   (( segid " 1SG" and resid 15   and name HN  ))
   (  segid " 1SG" and resid 22   and name HD1%)
      3.300     1.300     1.300 peak   228 spectrum    1 weight  0.10000E+01 volume  0.51978E-02 ppm1      8.505 ppm2      0.527 CV     1
 ASSI {  229}
   (( segid " 1SG" and resid 85   and name HN  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      3.100     1.200     1.200 peak   229 spectrum    1 weight  0.10000E+01 volume  0.51821E-02 ppm1      9.407 ppm2      1.494 CV     1
 ASSI {  231}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 68   and name HN  ))
      2.100     0.600     0.600 peak   231 spectrum    1 weight  0.10000E+01 volume  0.51250E-02 ppm1      7.422 ppm2      7.877 CV     1
 ASSI {  235}
   (( segid " 1SG" and resid 18   and name HN  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      2.600     0.800     0.800 peak   235 spectrum    1 weight  0.10000E+01 volume  0.50477E-02 ppm1      8.004 ppm2      1.281 CV     1
 ASSI {  236}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 108  and name HG1 ))
      3.500     1.600     1.600 peak   236 spectrum    1 weight  0.10000E+01 volume  0.50386E-02 ppm1      8.564 ppm2      2.233 CV     1
 OR {  236}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 108  and name HG2 ))
 ASSI {  240}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 26   and name HA  ))
      2.400     0.700     0.700 peak   240 spectrum    1 weight  0.10000E+01 volume  0.49205E-02 ppm1      8.891 ppm2      4.916 CV     1
 ASSI {  243}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 47   and name HB  ))
      2.800     1.000     1.000 peak   243 spectrum    1 weight  0.10000E+01 volume  0.48633E-02 ppm1      7.291 ppm2      2.508 CV     1
 ASSI {  244}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 13   and name HB2 ))
      2.800     1.000     1.000 peak   244 spectrum    1 weight  0.10000E+01 volume  0.48559E-02 ppm1      8.312 ppm2      2.683 CV     1
 ASSI {  245}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      2.900     1.000     1.000 peak   245 spectrum    1 weight  0.10000E+01 volume  0.48263E-02 ppm1      7.198 ppm2      1.453 CV     1
 ASSI {  246}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 103  and name HA  ))
      2.300     0.700     0.700 peak   246 spectrum    1 weight  0.10000E+01 volume  0.48254E-02 ppm1      8.793 ppm2      5.542 CV     1
 ASSI {  247}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 98   and name HA  ))
      2.700     0.900     0.900 peak   247 spectrum    1 weight  0.10000E+01 volume  0.48243E-02 ppm1      9.228 ppm2      4.702 CV     1
 ASSI {  248}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 38   and name HB  ))
      2.600     0.800     0.800 peak   248 spectrum    1 weight  0.10000E+01 volume  0.48163E-02 ppm1      8.373 ppm2      1.890 CV     1
 ASSI {  250}
   (( segid " 1SG" and resid 70   and name HN  ))
   (( segid " 1SG" and resid 69   and name HA  ))
      2.400     0.700     0.700 peak   250 spectrum    1 weight  0.10000E+01 volume  0.47286E-02 ppm1      9.273 ppm2      4.579 CV     1
 ASSI {  251}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 84   and name HN  ))
      2.500     0.800     0.800 peak   251 spectrum    1 weight  0.10000E+01 volume  0.47205E-02 ppm1      8.255 ppm2      7.866 CV     1
 ASSI {  253}
   (( segid " 1SG" and resid 10   and name HN  ))
   (( segid " 1SG" and resid 9    and name HA  ))
      2.600     0.800     0.800 peak   253 spectrum    1 weight  0.10000E+01 volume  0.46672E-02 ppm1      8.853 ppm2      4.646 CV     1
 ASSI {  256}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 102  and name HA  ))
      2.500     0.800     0.800 peak   256 spectrum    1 weight  0.10000E+01 volume  0.46335E-02 ppm1      9.243 ppm2      4.989 CV     1
 ASSI {  259}
   (( segid " 1SG" and resid 23   and name HN  ))
   (( segid " 1SG" and resid 23   and name HB  ))
      2.600     0.800     0.800 peak   259 spectrum    1 weight  0.10000E+01 volume  0.45324E-02 ppm1      7.914 ppm2      3.583 CV     1
 ASSI {  265}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 35   and name HG1 ))
      2.500     0.800     0.800 peak   265 spectrum    1 weight  0.10000E+01 volume  0.43891E-02 ppm1      7.511 ppm2      1.348 CV     1
 OR {  265}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 35   and name HG2 ))
 ASSI {  266}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 79   and name HA  ))
      2.600     0.900     0.900 peak   266 spectrum    1 weight  0.10000E+01 volume  0.43367E-02 ppm1      8.973 ppm2      3.661 CV     1
 ASSI {  267}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HG1 ))
      3.200     1.300     1.300 peak   267 spectrum    1 weight  0.10000E+01 volume  0.43223E-02 ppm1      8.306 ppm2      1.685 CV     1
 OR {  267}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HG2 ))
 ASSI {  268}
   (( segid " 1SG" and resid 72   and name HN  ))
   (( segid " 1SG" and resid 71   and name HA  ))
      2.200     0.600     0.600 peak   268 spectrum    1 weight  0.10000E+01 volume  0.43060E-02 ppm1      9.295 ppm2      5.062 CV     1
 ASSI {  269}
   (( segid " 1SG" and resid 17   and name HN  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      3.200     1.300     1.300 peak   269 spectrum    1 weight  0.10000E+01 volume  0.42989E-02 ppm1      7.900 ppm2      1.280 CV     1
 ASSI {  270}
   (( segid " 1SG" and resid 29   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG2%)
      2.400     0.700     0.700 peak   270 spectrum    1 weight  0.10000E+01 volume  0.42850E-02 ppm1      8.855 ppm2      0.945 CV     1
 OR {  270}
   (( segid " 1SG" and resid 29   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG1%)
 ASSI {  271}
   (( segid " 1SG" and resid 94   and name HN  ))
   (( segid " 1SG" and resid 93   and name HA  ))
      2.500     0.800     0.800 peak   271 spectrum    1 weight  0.10000E+01 volume  0.42799E-02 ppm1      8.339 ppm2      4.764 CV     1
 ASSI {  272}
   (( segid " 1SG" and resid 93   and name HN  ))
   (( segid " 1SG" and resid 92   and name HB1 ))
      3.500     1.500     1.500 peak   272 spectrum    1 weight  0.10000E+01 volume  0.42658E-02 ppm1      8.558 ppm2      3.937 CV     1
 OR {  272}
   (( segid " 1SG" and resid 93   and name HN  ))
   (( segid " 1SG" and resid 92   and name HB2 ))
 ASSI {  273}
   (( segid " 1SG" and resid 77   and name HN  ))
   (  segid " 1SG" and resid 76   and name HG2%)
      3.000     1.200     1.200 peak   273 spectrum    1 weight  0.10000E+01 volume  0.41757E-02 ppm1      8.717 ppm2      0.785 CV     1
 ASSI {  274}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 95   and name HN  ))
      1.700     0.400     0.500 peak   274 spectrum    1 weight  0.10000E+01 volume  0.41571E-02 ppm1      7.549 ppm2      7.973 CV     1
 ASSI {  275}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB1 ))
      2.400     0.700     0.700 peak   275 spectrum    1 weight  0.10000E+01 volume  0.41429E-02 ppm1      8.381 ppm2      1.692 CV     1
 OR {  275}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB2 ))
 ASSI {  276}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 96   and name HB2 ))
      3.500     1.600     1.600 peak   276 spectrum    1 weight  0.10000E+01 volume  0.41154E-02 ppm1      8.263 ppm2      1.571 CV     1
 ASSI {  278}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 5    and name HN  ))
      2.400     0.700     0.700 peak   278 spectrum    1 weight  0.10000E+01 volume  0.40966E-02 ppm1      8.263 ppm2      8.143 CV     1
 ASSI {  279}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 68   and name HN  ))
      2.600     0.800     0.800 peak   279 spectrum    1 weight  0.10000E+01 volume  0.40852E-02 ppm1      6.899 ppm2      7.876 CV     1
 ASSI {  281}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 104  and name HA  ))
      2.500     0.800     0.800 peak   281 spectrum    1 weight  0.10000E+01 volume  0.40750E-02 ppm1      8.399 ppm2      5.431 CV     1
 ASSI {  284}
   (( segid " 1SG" and resid 94   and name HN  ))
   (( segid " 1SG" and resid 35   and name HE2 ))
      2.700     2.700     3.300 peak   284 spectrum    1 weight  0.10000E+01 volume  0.40567E-02 ppm1      8.312 ppm2      2.938 CV     1
 OR {  284}
   (( segid " 1SG" and resid 94   and name HN  ))
   (( segid " 1SG" and resid 35   and name HE1 ))
 ASSI {  285}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 4    and name HA  ))
      2.600     0.800     0.800 peak   285 spectrum    1 weight  0.10000E+01 volume  0.40461E-02 ppm1      8.264 ppm2      4.015 CV     1
 ASSI {  287}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 78   and name HN  ))
      2.800     1.000     1.000 peak   287 spectrum    1 weight  0.10000E+01 volume  0.39737E-02 ppm1      8.974 ppm2      8.055 CV     1
 ASSI {  288}
   (( segid " 1SG" and resid 86   and name HN  ))
   (( segid " 1SG" and resid 85   and name HA2 ))
      2.500     0.800     0.800 peak   288 spectrum    1 weight  0.10000E+01 volume  0.39696E-02 ppm1      7.948 ppm2      4.508 CV     1
 ASSI {  290}
   (( segid " 1SG" and resid 48   and name HN  ))
   (( segid " 1SG" and resid 48   and name HB2 ))
      2.800     1.000     1.000 peak   290 spectrum    1 weight  0.10000E+01 volume  0.39371E-02 ppm1      8.397 ppm2      2.936 CV     1
 ASSI {  291}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 65   and name HB2 ))
      2.800     1.000     1.000 peak   291 spectrum    1 weight  0.10000E+01 volume  0.39343E-02 ppm1      8.106 ppm2      1.756 CV     1
 OR {  291}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 65   and name HB1 ))
 ASSI {  293}
   (( segid " 1SG" and resid 23   and name HN  ))
   (( segid " 1SG" and resid 104  and name HB2 ))
      4.000     2.000     2.000 peak   293 spectrum    1 weight  0.10000E+01 volume  0.39027E-02 ppm1      7.913 ppm2      1.237 CV     1
 ASSI {  294}
   (( segid " 1SG" and resid 98   and name HN  ))
   (( segid " 1SG" and resid 97   and name HA  ))
      2.600     0.900     0.900 peak   294 spectrum    1 weight  0.10000E+01 volume  0.38825E-02 ppm1      8.417 ppm2      5.247 CV     1
 ASSI {  295}
   (( segid " 1SG" and resid 86   and name HN  ))
   (( segid " 1SG" and resid 85   and name HA1 ))
      3.000     1.200     1.200 peak   295 spectrum    1 weight  0.10000E+01 volume  0.38816E-02 ppm1      7.948 ppm2      3.928 CV     1
 ASSI {  297}
   (( segid " 1SG" and resid 19   and name HN  ))
   (( segid " 1SG" and resid 19   and name HA1 ))
      2.900     1.100     1.100 peak   297 spectrum    1 weight  0.10000E+01 volume  0.38368E-02 ppm1      9.829 ppm2      4.250 CV     1
 ASSI {  298}
   (( segid " 1SG" and resid 19   and name HN  ))
   (  segid " 1SG" and resid 18   and name HG1%)
      3.100     1.200     1.200 peak   298 spectrum    1 weight  0.10000E+01 volume  0.38360E-02 ppm1      9.828 ppm2      0.981 CV     1
 ASSI {  299}
   (( segid " 1SG" and resid 70   and name HN  ))
   (  segid " 1SG" and resid 69   and name HG1%)
      3.000     1.100     1.100 peak   299 spectrum    1 weight  0.10000E+01 volume  0.37953E-02 ppm1      9.273 ppm2      0.839 CV     1
 ASSI {  300}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 27   and name HA  ))
      2.500     0.800     0.800 peak   300 spectrum    1 weight  0.10000E+01 volume  0.37767E-02 ppm1      9.673 ppm2      5.831 CV     1
 ASSI {  302}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 53   and name HA  ))
      2.400     0.700     0.700 peak   302 spectrum    1 weight  0.10000E+01 volume  0.37738E-02 ppm1      6.765 ppm2      4.049 CV     1
 ASSI {  303}
   (( segid " 1SG" and resid 84   and name HN  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      3.500     1.500     1.500 peak   303 spectrum    1 weight  0.10000E+01 volume  0.37572E-02 ppm1      7.866 ppm2      1.494 CV     1
 ASSI {  305}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 51   and name HN  ))
      2.400     0.700     0.700 peak   305 spectrum    1 weight  0.10000E+01 volume  0.37400E-02 ppm1      7.784 ppm2      7.881 CV     1
 ASSI {  306}
   (( segid " 1SG" and resid 24   and name HN  ))
   (  segid " 1SG" and resid 23   and name HG2%)
      2.800     0.900     0.900 peak   306 spectrum    1 weight  0.10000E+01 volume  0.37266E-02 ppm1      9.240 ppm2      0.769 CV     1
 ASSI {  307}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 34   and name HA  ))
      2.900     1.100     1.100 peak   307 spectrum    1 weight  0.10000E+01 volume  0.37173E-02 ppm1      7.511 ppm2      4.289 CV     1
 ASSI {  308}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 2    and name HA  ))
      2.600     0.900     0.900 peak   308 spectrum    1 weight  0.10000E+01 volume  0.37149E-02 ppm1      8.115 ppm2      4.899 CV     1
 ASSI {  309}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 68   and name HA  ))
      2.800     1.000     1.000 peak   309 spectrum    1 weight  0.10000E+01 volume  0.37143E-02 ppm1      6.899 ppm2      3.593 CV     1
 ASSI {  310}
   (( segid " 1SG" and resid 90   and name HN  ))
   (( segid " 1SG" and resid 89   and name HA  ))
      2.600     0.900     0.900 peak   310 spectrum    1 weight  0.10000E+01 volume  0.37064E-02 ppm1      9.489 ppm2      4.946 CV     1
 ASSI {  311}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (  segid " 1SG" and resid 39   and name HG1%)
      2.800     0.900     0.900 peak   311 spectrum    1 weight  0.10000E+01 volume  0.37061E-02 ppm1     10.780 ppm2     -0.081 CV     1
 ASSI {  312}
   (( segid " 1SG" and resid 93   and name HN  ))
   (( segid " 1SG" and resid 93   and name HA  ))
      2.700     0.900     0.900 peak   312 spectrum    1 weight  0.10000E+01 volume  0.36894E-02 ppm1      8.558 ppm2      4.778 CV     1
 ASSI {  314}
   (( segid " 1SG" and resid 72   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD1%)
      2.600     0.900     0.900 peak   314 spectrum    1 weight  0.10000E+01 volume  0.36592E-02 ppm1      9.295 ppm2      0.842 CV     1
 ASSI {  315}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 67   and name HA  ))
      2.800     1.000     1.000 peak   315 spectrum    1 weight  0.10000E+01 volume  0.36155E-02 ppm1      7.421 ppm2      4.297 CV     1
 ASSI {  316}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 83   and name HA  ))
      2.600     0.800     0.800 peak   316 spectrum    1 weight  0.10000E+01 volume  0.36060E-02 ppm1      8.255 ppm2      4.603 CV     1
 ASSI {  318}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      3.500     1.500     1.500 peak   318 spectrum    1 weight  0.10000E+01 volume  0.35823E-02 ppm1      8.940 ppm2      1.448 CV     1
 ASSI {  319}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 48   and name HA  ))
      2.400     0.700     0.700 peak   319 spectrum    1 weight  0.10000E+01 volume  0.35803E-02 ppm1      9.288 ppm2      4.192 CV     1
 ASSI {  320}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 58   and name HB2 ))
      3.300     1.400     1.400 peak   320 spectrum    1 weight  0.10000E+01 volume  0.35779E-02 ppm1      7.438 ppm2      2.396 CV     1
 OR {  320}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 58   and name HB1 ))
 ASSI {  321}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 73   and name HA  ))
      2.400     0.700     0.700 peak   321 spectrum    1 weight  0.10000E+01 volume  0.35776E-02 ppm1      8.470 ppm2      5.470 CV     1
 ASSI {  322}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 52   and name HA  ))
      2.700     0.900     0.900 peak   322 spectrum    1 weight  0.10000E+01 volume  0.35766E-02 ppm1      7.785 ppm2      4.613 CV     1
 ASSI {  323}
   (( segid " 1SG" and resid 40   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG1%)
      3.000     1.100     1.100 peak   323 spectrum    1 weight  0.10000E+01 volume  0.35319E-02 ppm1      8.694 ppm2     -0.080 CV     1
 ASSI {  324}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 43   and name HA  ))
      2.500     0.800     0.800 peak   324 spectrum    1 weight  0.10000E+01 volume  0.35300E-02 ppm1      8.211 ppm2      4.128 CV     1
 ASSI {  326}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 83   and name HB2 ))
      2.300     0.700     0.700 peak   326 spectrum    1 weight  0.10000E+01 volume  0.34974E-02 ppm1      8.255 ppm2      3.172 CV     1
 ASSI {  327}
   (( segid " 1SG" and resid 75   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD1%)
      3.000     1.200     1.200 peak   327 spectrum    1 weight  0.10000E+01 volume  0.34788E-02 ppm1      9.151 ppm2      0.400 CV     1
 ASSI {  328}
   (( segid " 1SG" and resid 107  and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      2.900     1.000     1.000 peak   328 spectrum    1 weight  0.10000E+01 volume  0.34763E-02 ppm1      8.822 ppm2      0.372 CV     1
 ASSI {  329}
   (( segid " 1SG" and resid 64   and name HN  ))
   (( segid " 1SG" and resid 64   and name HB2 ))
      2.900     1.100     1.100 peak   329 spectrum    1 weight  0.10000E+01 volume  0.34760E-02 ppm1      7.752 ppm2      2.335 CV     1
 ASSI {  330}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 5    and name HA2 ))
      3.500     1.500     1.500 peak   330 spectrum    1 weight  0.10000E+01 volume  0.34665E-02 ppm1      8.264 ppm2      3.842 CV     1
 OR {  330}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 5    and name HA1 ))
 ASSI {  332}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 75   and name HB2 ))
      2.700     0.900     0.900 peak   332 spectrum    1 weight  0.10000E+01 volume  0.34208E-02 ppm1      9.150 ppm2      2.889 CV     1
 OR {  332}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 75   and name HB1 ))
 ASSI {  333}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 15   and name HB1 ))
      2.900     1.000     1.000 peak   333 spectrum    1 weight  0.10000E+01 volume  0.34158E-02 ppm1      8.504 ppm2      2.013 CV     1
 OR {  333}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 15   and name HB2 ))
 ASSI {  335}
   (( segid " 1SG" and resid 5    and name HN  ))
   (( segid " 1SG" and resid 5    and name HA2 ))
      2.600     0.800     0.800 peak   335 spectrum    1 weight  0.10000E+01 volume  0.33739E-02 ppm1      8.144 ppm2      3.857 CV     1
 OR {  335}
   (( segid " 1SG" and resid 5    and name HN  ))
   (( segid " 1SG" and resid 5    and name HA1 ))
 ASSI {  336}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (  segid " 1SG" and resid 59   and name HD2%)
      2.800     1.000     1.000 peak   336 spectrum    1 weight  0.10000E+01 volume  0.33675E-02 ppm1     10.780 ppm2      0.692 CV     1
 ASSI {  339}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 19   and name HN  ))
      2.500     0.800     0.800 peak   339 spectrum    1 weight  0.10000E+01 volume  0.33414E-02 ppm1      8.825 ppm2      9.828 CV     1
 ASSI {  340}
   (( segid " 1SG" and resid 80   and name HE21))
   (( segid " 1SG" and resid 80   and name HG1 ))
      2.800     1.000     1.000 peak   340 spectrum    1 weight  0.10000E+01 volume  0.33362E-02 ppm1      6.984 ppm2      2.164 CV     1
 OR {  340}
   (( segid " 1SG" and resid 80   and name HE21))
   (( segid " 1SG" and resid 80   and name HG2 ))
 ASSI {  342}
   (( segid " 1SG" and resid 18   and name HN  ))
   (( segid " 1SG" and resid 17   and name HB  ))
      3.000     1.100     1.100 peak   342 spectrum    1 weight  0.10000E+01 volume  0.33275E-02 ppm1      8.006 ppm2      4.061 CV     1
 ASSI {  344}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 107  and name HB1 ))
      2.800     1.000     1.000 peak   344 spectrum    1 weight  0.10000E+01 volume  0.33166E-02 ppm1      8.825 ppm2      3.076 CV     1
 OR {  344}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 107  and name HB2 ))
 ASSI {  346}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HA  ))
      2.700     0.900     0.900 peak   346 spectrum    1 weight  0.10000E+01 volume  0.33019E-02 ppm1      8.305 ppm2      3.450 CV     1
 ASSI {  348}
   (( segid " 1SG" and resid 21   and name HN  ))
   (( segid " 1SG" and resid 20   and name HN  ))
      3.500     1.500     1.500 peak   348 spectrum    1 weight  0.10000E+01 volume  0.32787E-02 ppm1      8.168 ppm2      8.828 CV     1
 ASSI {  350}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 42   and name HA  ))
      2.700     0.900     0.900 peak   350 spectrum    1 weight  0.10000E+01 volume  0.32620E-02 ppm1      8.632 ppm2      5.786 CV     1
 ASSI {  351}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 54   and name HN  ))
      2.700     0.900     0.900 peak   351 spectrum    1 weight  0.10000E+01 volume  0.32435E-02 ppm1      7.198 ppm2      9.022 CV     1
 ASSI {  352}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 15   and name HB2 ))
      3.300     1.400     1.400 peak   352 spectrum    1 weight  0.10000E+01 volume  0.32422E-02 ppm1      8.593 ppm2      2.019 CV     1
 OR {  352}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 15   and name HB1 ))
 ASSI {  353}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 4    and name HG12))
      3.500     1.500     1.500 peak   353 spectrum    1 weight  0.10000E+01 volume  0.32421E-02 ppm1      8.263 ppm2      1.225 CV     1
 ASSI {  354}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 16   and name HA  ))
      2.800     1.000     1.000 peak   354 spectrum    1 weight  0.10000E+01 volume  0.32389E-02 ppm1      8.593 ppm2      4.581 CV     1
 ASSI {  355}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 52   and name HA  ))
      3.200     1.300     1.300 peak   355 spectrum    1 weight  0.10000E+01 volume  0.32370E-02 ppm1      6.764 ppm2      4.611 CV     1
 ASSI {  356}
   (( segid " 1SG" and resid 48   and name HN  ))
   (  segid " 1SG" and resid 47   and name HG2%)
      3.600     1.600     1.600 peak   356 spectrum    1 weight  0.10000E+01 volume  0.32290E-02 ppm1      8.397 ppm2      0.779 CV     1
 ASSI {  357}
   (( segid " 1SG" and resid 23   and name HN  ))
   (( segid " 1SG" and resid 22   and name HG12))
      3.700     1.700     1.700 peak   357 spectrum    1 weight  0.10000E+01 volume  0.32263E-02 ppm1      7.913 ppm2      0.071 CV     1
 ASSI {  358}
   (( segid " 1SG" and resid 39   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG2%)
      2.600     0.800     0.800 peak   358 spectrum    1 weight  0.10000E+01 volume  0.32252E-02 ppm1      7.891 ppm2     -0.459 CV     1
 ASSI {  362}
   (( segid " 1SG" and resid 18   and name HN  ))
   (( segid " 1SG" and resid 18   and name HA  ))
      2.600     0.900     0.900 peak   362 spectrum    1 weight  0.10000E+01 volume  0.31837E-02 ppm1      8.005 ppm2      3.479 CV     1
 ASSI {  363}
   (( segid " 1SG" and resid 47   and name HN  ))
   (  segid " 1SG" and resid 47   and name HG2%)
      2.600     0.800     0.800 peak   363 spectrum    1 weight  0.10000E+01 volume  0.31590E-02 ppm1      7.291 ppm2      0.780 CV     1
 ASSI {  364}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 65   and name HN  ))
      2.700     0.900     0.900 peak   364 spectrum    1 weight  0.10000E+01 volume  0.31532E-02 ppm1      8.106 ppm2      8.306 CV     1
 ASSI {  367}
   (( segid " 1SG" and resid 17   and name HN  ))
   (( segid " 1SG" and resid 16   and name HB  ))
      2.900     1.000     1.000 peak   367 spectrum    1 weight  0.10000E+01 volume  0.31378E-02 ppm1      7.901 ppm2      1.791 CV     1
 ASSI {  368}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 67   and name HB1 ))
      2.900     1.000     1.000 peak   368 spectrum    1 weight  0.10000E+01 volume  0.31348E-02 ppm1      7.421 ppm2      3.728 CV     1
 OR {  368}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 67   and name HB2 ))
 ASSI {  370}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 61   and name HB2 ))
      3.400     1.400     1.400 peak   370 spectrum    1 weight  0.10000E+01 volume  0.31265E-02 ppm1      8.849 ppm2      2.303 CV     1
 ASSI {  371}
   (( segid " 1SG" and resid 92   and name HN  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      2.600     0.800     0.800 peak   371 spectrum    1 weight  0.10000E+01 volume  0.31224E-02 ppm1      8.734 ppm2      0.173 CV     1
 ASSI {  372}
   (( segid " 1SG" and resid 64   and name HN  ))
   (( segid " 1SG" and resid 64   and name HA  ))
      2.800     1.000     1.000 peak   372 spectrum    1 weight  0.10000E+01 volume  0.31188E-02 ppm1      7.752 ppm2      4.579 CV     1
 ASSI {  373}
   (( segid " 1SG" and resid 64   and name HN  ))
   (  segid " 1SG" and resid 63   and name HD% )
      3.200     1.300     1.300 peak   373 spectrum    1 weight  0.10000E+01 volume  0.31071E-02 ppm1      7.752 ppm2      5.902 CV     1
 ASSI {  374}
   (( segid " 1SG" and resid 77   and name HN  ))
   (  segid " 1SG" and resid 77   and name HG2%)
      2.900     1.000     1.000 peak   374 spectrum    1 weight  0.10000E+01 volume  0.30933E-02 ppm1      8.717 ppm2      1.030 CV     1
 ASSI {  376}
   (( segid " 1SG" and resid 42   and name HN  ))
   (( segid " 1SG" and resid 41   and name HA  ))
      2.700     0.900     0.900 peak   376 spectrum    1 weight  0.10000E+01 volume  0.30847E-02 ppm1      9.447 ppm2      5.468 CV     1
 ASSI {  378}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 12   and name HB2 ))
      3.400     1.400     1.400 peak   378 spectrum    1 weight  0.10000E+01 volume  0.30753E-02 ppm1      8.312 ppm2      1.966 CV     1
 ASSI {  379}
   (( segid " 1SG" and resid 58   and name HE22))
   (( segid " 1SG" and resid 58   and name HB2 ))
      3.700     1.700     1.700 peak   379 spectrum    1 weight  0.10000E+01 volume  0.30676E-02 ppm1      6.684 ppm2      2.396 CV     1
 OR {  379}
   (( segid " 1SG" and resid 58   and name HE22))
   (( segid " 1SG" and resid 58   and name HB1 ))
 ASSI {  382}
   (( segid " 1SG" and resid 76   and name HN  ))
   (( segid " 1SG" and resid 76   and name HB  ))
      2.600     0.800     0.800 peak   382 spectrum    1 weight  0.10000E+01 volume  0.30470E-02 ppm1      8.925 ppm2      1.902 CV     1
 ASSI {  383}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 12   and name HG1 ))
      4.200     2.200     1.800 peak   383 spectrum    1 weight  0.10000E+01 volume  0.30435E-02 ppm1      8.312 ppm2      2.471 CV     1
 OR {  383}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 12   and name HG2 ))
 ASSI {  384}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 96   and name HG1 ))
      3.200     1.200     1.200 peak   384 spectrum    1 weight  0.10000E+01 volume  0.30404E-02 ppm1      7.548 ppm2      1.318 CV     1
 OR {  384}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 96   and name HG2 ))
 ASSI {  388}
   (( segid " 1SG" and resid 106  and name HN  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      3.600     1.600     1.600 peak   388 spectrum    1 weight  0.10000E+01 volume  0.30098E-02 ppm1      8.150 ppm2      1.495 CV     1
 ASSI {  389}
   (( segid " 1SG" and resid 26   and name HN  ))
   (  segid " 1SG" and resid 26   and name HB% )
      2.700     0.900     0.900 peak   389 spectrum    1 weight  0.10000E+01 volume  0.30067E-02 ppm1      9.497 ppm2      1.455 CV     1
 ASSI {  390}
   (( segid " 1SG" and resid 20   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      3.200     1.300     1.300 peak   390 spectrum    1 weight  0.10000E+01 volume  0.30030E-02 ppm1      8.825 ppm2      1.174 CV     1
 ASSI {  391}
   (( segid " 1SG" and resid 21   and name HN  ))
   (( segid " 1SG" and resid 21   and name HA  ))
      2.600     0.800     0.800 peak   391 spectrum    1 weight  0.10000E+01 volume  0.29987E-02 ppm1      8.169 ppm2      5.493 CV     1
 ASSI {  392}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 59   and name HG  ))
      3.500     1.600     1.600 peak   392 spectrum    1 weight  0.10000E+01 volume  0.29955E-02 ppm1      8.382 ppm2      1.425 CV     1
 ASSI {  393}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 57   and name HA  ))
      2.600     0.900     0.900 peak   393 spectrum    1 weight  0.10000E+01 volume  0.29954E-02 ppm1      7.198 ppm2      5.399 CV     1
 ASSI {  395}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 107  and name HA  ))
      2.800     0.900     0.900 peak   395 spectrum    1 weight  0.10000E+01 volume  0.29857E-02 ppm1      8.825 ppm2      4.841 CV     1
 ASSI {  396}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 53   and name HB  ))
      3.500     1.600     1.600 peak   396 spectrum    1 weight  0.10000E+01 volume  0.29765E-02 ppm1      9.019 ppm2      2.127 CV     1
 ASSI {  397}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 52   and name HG2 ))
      2.600     0.900     0.900 peak   397 spectrum    1 weight  0.10000E+01 volume  0.29749E-02 ppm1      7.786 ppm2      1.324 CV     1
 OR {  397}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 52   and name HG1 ))
 ASSI {  398}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 13   and name HA  ))
      2.800     1.000     1.000 peak   398 spectrum    1 weight  0.10000E+01 volume  0.29726E-02 ppm1      8.312 ppm2      5.337 CV     1
 ASSI {  399}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 44   and name HA1 ))
      2.700     0.900     0.900 peak   399 spectrum    1 weight  0.10000E+01 volume  0.29591E-02 ppm1      8.211 ppm2      3.463 CV     1
 ASSI {  401}
   (( segid " 1SG" and resid 12   and name HN  ))
   (( segid " 1SG" and resid 12   and name HG2 ))
      2.900     1.000     1.000 peak   401 spectrum    1 weight  0.10000E+01 volume  0.29438E-02 ppm1      8.346 ppm2      2.468 CV     1
 OR {  401}
   (( segid " 1SG" and resid 12   and name HN  ))
   (( segid " 1SG" and resid 12   and name HG1 ))
 ASSI {  403}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB1 ))
      3.400     1.400     1.400 peak   403 spectrum    1 weight  0.10000E+01 volume  0.29269E-02 ppm1      8.686 ppm2      1.687 CV     1
 OR {  403}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB2 ))
 ASSI {  404}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 62   and name HA  ))
      2.800     1.000     1.000 peak   404 spectrum    1 weight  0.10000E+01 volume  0.29256E-02 ppm1      8.849 ppm2      4.602 CV     1
 ASSI {  405}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 60   and name HA  ))
      2.900     1.000     1.000 peak   405 spectrum    1 weight  0.10000E+01 volume  0.29236E-02 ppm1      8.688 ppm2      5.069 CV     1
 ASSI {  407}
   (( segid " 1SG" and resid 60   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD2%)
      3.000     1.100     1.100 peak   407 spectrum    1 weight  0.10000E+01 volume  0.29054E-02 ppm1      8.689 ppm2      0.691 CV     1
 ASSI {  408}
   (( segid " 1SG" and resid 106  and name HN  ))
   (  segid " 1SG" and resid 106  and name HG1%)
      2.600     0.800     0.800 peak   408 spectrum    1 weight  0.10000E+01 volume  0.28904E-02 ppm1      8.151 ppm2      0.679 CV     1
 ASSI {  409}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 41   and name HD1 ))
      2.800     1.000     1.000 peak   409 spectrum    1 weight  0.10000E+01 volume  0.28771E-02 ppm1      9.308 ppm2      7.130 CV     1
 ASSI {  411}
   (( segid " 1SG" and resid 51   and name HN  ))
   (( segid " 1SG" and resid 51   and name HA  ))
      2.900     1.100     1.100 peak   411 spectrum    1 weight  0.10000E+01 volume  0.28272E-02 ppm1      7.877 ppm2      4.560 CV     1
 ASSI {  413}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 15   and name HG1 ))
      3.100     1.200     1.200 peak   413 spectrum    1 weight  0.10000E+01 volume  0.28174E-02 ppm1      8.506 ppm2      2.277 CV     1
 OR {  413}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 15   and name HG2 ))
 ASSI {  415}
   (( segid " 1SG" and resid 17   and name HN  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      3.100     1.200     1.200 peak   415 spectrum    1 weight  0.10000E+01 volume  0.28168E-02 ppm1      7.900 ppm2      0.602 CV     1
 ASSI {  416}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 15   and name HA  ))
      2.800     1.000     1.000 peak   416 spectrum    1 weight  0.10000E+01 volume  0.28092E-02 ppm1      8.504 ppm2      5.491 CV     1
 ASSI {  417}
   (( segid " 1SG" and resid 103  and name HD21))
   (( segid " 1SG" and resid 103  and name HB2 ))
      2.700     0.900     0.900 peak   417 spectrum    1 weight  0.10000E+01 volume  0.28059E-02 ppm1      7.721 ppm2      2.502 CV     1
 ASSI {  421}
   (( segid " 1SG" and resid 80   and name HE22))
   (( segid " 1SG" and resid 80   and name HG1 ))
      3.600     1.600     1.600 peak   421 spectrum    1 weight  0.10000E+01 volume  0.27941E-02 ppm1      6.645 ppm2      2.164 CV     1
 OR {  421}
   (( segid " 1SG" and resid 80   and name HE22))
   (( segid " 1SG" and resid 80   and name HG2 ))
 ASSI {  422}
   (( segid " 1SG" and resid 100  and name HN  ))
   (( segid " 1SG" and resid 99   and name HA  ))
      2.800     1.000     1.000 peak   422 spectrum    1 weight  0.10000E+01 volume  0.27812E-02 ppm1      8.896 ppm2      5.700 CV     1
 ASSI {  424}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 38   and name HA  ))
      2.800     1.000     1.000 peak   424 spectrum    1 weight  0.10000E+01 volume  0.27672E-02 ppm1      8.372 ppm2      3.897 CV     1
 ASSI {  425}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 53   and name HB  ))
      3.000     1.100     1.100 peak   425 spectrum    1 weight  0.10000E+01 volume  0.27581E-02 ppm1      7.785 ppm2      2.145 CV     1
 ASSI {  426}
   (( segid " 1SG" and resid 78   and name HN  ))
   (  segid " 1SG" and resid 77   and name HG2%)
      3.900     1.900     1.900 peak   426 spectrum    1 weight  0.10000E+01 volume  0.27577E-02 ppm1      8.054 ppm2      1.025 CV     1
 ASSI {  427}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 103  and name HB2 ))
      2.900     1.100     1.100 peak   427 spectrum    1 weight  0.10000E+01 volume  0.27562E-02 ppm1      9.242 ppm2      2.501 CV     1
 ASSI {  430}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 50   and name HA  ))
      3.000     1.100     1.100 peak   430 spectrum    1 weight  0.10000E+01 volume  0.27253E-02 ppm1      8.940 ppm2      3.956 CV     1
 ASSI {  431}
   (( segid " 1SG" and resid 23   and name HN  ))
   (  segid " 1SG" and resid 22   and name HD1%)
      2.800     1.000     1.000 peak   431 spectrum    1 weight  0.10000E+01 volume  0.27221E-02 ppm1      7.912 ppm2      0.534 CV     1
 ASSI {  432}
   (( segid " 1SG" and resid 30   and name HN  ))
   (( segid " 1SG" and resid 69   and name HA  ))
      2.600     0.900     0.900 peak   432 spectrum    1 weight  0.10000E+01 volume  0.27142E-02 ppm1      8.591 ppm2      4.580 CV     1
 ASSI {  434}
   (( segid " 1SG" and resid 61   and name HN  ))
   (( segid " 1SG" and resid 61   and name HA  ))
      2.700     0.900     0.900 peak   434 spectrum    1 weight  0.10000E+01 volume  0.27019E-02 ppm1      8.180 ppm2      5.560 CV     1
 ASSI {  435}
   (( segid " 1SG" and resid 87   and name HN  ))
   (( segid " 1SG" and resid 86   and name HA2 ))
      2.500     0.800     0.800 peak   435 spectrum    1 weight  0.10000E+01 volume  0.26952E-02 ppm1      9.112 ppm2      4.658 CV     1
 ASSI {  437}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 13   and name HA  ))
      2.800     1.000     1.000 peak   437 spectrum    1 weight  0.10000E+01 volume  0.26890E-02 ppm1      9.242 ppm2      5.338 CV     1
 ASSI {  439}
   (( segid " 1SG" and resid 8    and name HN  ))
   (( segid " 1SG" and resid 7    and name HA  ))
      2.700     0.900     0.900 peak   439 spectrum    1 weight  0.10000E+01 volume  0.26834E-02 ppm1      9.052 ppm2      4.631 CV     1
 ASSI {  440}
   (( segid " 1SG" and resid 86   and name HN  ))
   (( segid " 1SG" and resid 86   and name HA2 ))
      3.100     1.200     1.200 peak   440 spectrum    1 weight  0.10000E+01 volume  0.26831E-02 ppm1      7.947 ppm2      4.658 CV     1
 ASSI {  443}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 77   and name HB  ))
      2.700     0.900     0.900 peak   443 spectrum    1 weight  0.10000E+01 volume  0.26521E-02 ppm1      8.053 ppm2      4.009 CV     1
 ASSI {  446}
   (( segid " 1SG" and resid 101  and name HN  ))
   (( segid " 1SG" and resid 100  and name HA  ))
      2.600     0.800     0.800 peak   446 spectrum    1 weight  0.10000E+01 volume  0.26125E-02 ppm1      9.045 ppm2      4.660 CV     1
 ASSI {  448}
   (( segid " 1SG" and resid 63   and name HN  ))
   (( segid " 1SG" and resid 62   and name HB2 ))
      3.500     1.500     1.500 peak   448 spectrum    1 weight  0.10000E+01 volume  0.26114E-02 ppm1      8.516 ppm2      3.810 CV     1
 ASSI {  449}
   (( segid " 1SG" and resid 8    and name HN  ))
   (  segid " 1SG" and resid 8    and name HG2%)
      2.700     0.900     0.900 peak   449 spectrum    1 weight  0.10000E+01 volume  0.26113E-02 ppm1      9.052 ppm2      0.947 CV     1
 OR {  449}
   (( segid " 1SG" and resid 8    and name HN  ))
   (  segid " 1SG" and resid 8    and name HG1%)
 ASSI {  450}
   (( segid " 1SG" and resid 9    and name HN  ))
   (  segid " 1SG" and resid 8    and name HG2%)
      3.800     1.800     1.800 peak   450 spectrum    1 weight  0.10000E+01 volume  0.25951E-02 ppm1      7.890 ppm2      0.950 CV     1
 OR {  450}
   (( segid " 1SG" and resid 9    and name HN  ))
   (  segid " 1SG" and resid 8    and name HG1%)
 ASSI {  453}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 52   and name HB2 ))
      2.900     1.000     1.000 peak   453 spectrum    1 weight  0.10000E+01 volume  0.25706E-02 ppm1      7.785 ppm2      1.718 CV     1
 ASSI {  454}
   (( segid " 1SG" and resid 39   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG1%)
      3.900     1.900     1.900 peak   454 spectrum    1 weight  0.10000E+01 volume  0.25659E-02 ppm1      7.892 ppm2     -0.081 CV     1
 ASSI {  456}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 37   and name HB2 ))
      3.300     1.400     1.400 peak   456 spectrum    1 weight  0.10000E+01 volume  0.25501E-02 ppm1      8.373 ppm2      1.365 CV     1
 OR {  456}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 37   and name HG2 ))
 ASSI {  458}
   (( segid " 1SG" and resid 48   and name HN  ))
   (  segid " 1SG" and resid 47   and name HG1%)
      3.200     1.200     1.200 peak   458 spectrum    1 weight  0.10000E+01 volume  0.25355E-02 ppm1      8.397 ppm2      0.978 CV     1
 ASSI {  460}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 54   and name HA1 ))
      2.800     1.000     1.000 peak   460 spectrum    1 weight  0.10000E+01 volume  0.25258E-02 ppm1      9.019 ppm2      3.910 CV     1
 ASSI {  461}
   (( segid " 1SG" and resid 93   and name HN  ))
   (  segid " 1SG" and resid 93   and name HG2%)
      3.400     1.500     1.500 peak   461 spectrum    1 weight  0.10000E+01 volume  0.25205E-02 ppm1      8.557 ppm2      1.024 CV     1
 ASSI {  463}
   (( segid " 1SG" and resid 84   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG1%)
      2.700     0.900     0.900 peak   463 spectrum    1 weight  0.10000E+01 volume  0.24774E-02 ppm1      7.866 ppm2      0.680 CV     1
 ASSI {  465}
   (( segid " 1SG" and resid 40   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG2%)
      3.900     1.900     1.900 peak   465 spectrum    1 weight  0.10000E+01 volume  0.24697E-02 ppm1      8.695 ppm2     -0.459 CV     1
 ASSI {  466}
   (( segid " 1SG" and resid 24   and name HN  ))
   (  segid " 1SG" and resid 24   and name HD% )
      3.200     1.300     1.300 peak   466 spectrum    1 weight  0.10000E+01 volume  0.24612E-02 ppm1      9.240 ppm2      6.937 CV     1
 ASSI {  468}
   (( segid " 1SG" and resid 83   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG1%)
      2.600     0.900     0.900 peak   468 spectrum    1 weight  0.10000E+01 volume  0.24589E-02 ppm1      8.255 ppm2      0.675 CV     1
 ASSI {  469}
   (( segid " 1SG" and resid 27   and name HN  ))
   (  segid " 1SG" and resid 26   and name HB% )
      3.300     1.400     1.400 peak   469 spectrum    1 weight  0.10000E+01 volume  0.24493E-02 ppm1      8.888 ppm2      1.455 CV     1
 ASSI {  470}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 47   and name HA  ))
      2.700     0.900     0.900 peak   470 spectrum    1 weight  0.10000E+01 volume  0.24455E-02 ppm1      7.291 ppm2      4.058 CV     1
 ASSI {  474}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 21   and name HB2 ))
      2.900     1.000     1.000 peak   474 spectrum    1 weight  0.10000E+01 volume  0.24371E-02 ppm1      8.888 ppm2      3.751 CV     1
 ASSI {  476}
   (( segid " 1SG" and resid 51   and name HN  ))
   (( segid " 1SG" and resid 50   and name HN  ))
      2.800     1.000     1.000 peak   476 spectrum    1 weight  0.10000E+01 volume  0.24287E-02 ppm1      7.880 ppm2      8.943 CV     1
 ASSI {  477}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 18   and name HA  ))
      3.900     1.900     1.900 peak   477 spectrum    1 weight  0.10000E+01 volume  0.24265E-02 ppm1      8.823 ppm2      3.479 CV     1
 ASSI {  479}
   (( segid " 1SG" and resid 76   and name HN  ))
   (  segid " 1SG" and resid 23   and name HG2%)
      3.600     1.600     1.600 peak   479 spectrum    1 weight  0.10000E+01 volume  0.24225E-02 ppm1      8.927 ppm2      0.780 CV     1
 ASSI {  480}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 22   and name HA  ))
      2.800     1.000     1.000 peak   480 spectrum    1 weight  0.10000E+01 volume  0.24097E-02 ppm1      8.888 ppm2      4.342 CV     1
 ASSI {  482}
   (( segid " 1SG" and resid 49   and name HN  ))
   (  segid " 1SG" and resid 49   and name HD1%)
      2.600     0.800     0.800 peak   482 spectrum    1 weight  0.10000E+01 volume  0.24035E-02 ppm1      9.288 ppm2      1.750 CV     1
 ASSI {  483}
   (( segid " 1SG" and resid 30   and name HN  ))
   (( segid " 1SG" and resid 30   and name HA1 ))
      2.700     0.900     0.900 peak   483 spectrum    1 weight  0.10000E+01 volume  0.23955E-02 ppm1      8.591 ppm2      3.945 CV     1
 ASSI {  484}
   (( segid " 1SG" and resid 18   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.200     1.300     1.300 peak   484 spectrum    1 weight  0.10000E+01 volume  0.23714E-02 ppm1      8.006 ppm2      0.372 CV     1
 ASSI {  487}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 69   and name HB  ))
      3.000     3.000     3.000 peak   487 spectrum    1 weight  0.10000E+01 volume  0.23451E-02 ppm1      8.723 ppm2      1.750 CV     1
 ASSI {  489}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 97   and name HB2 ))
      3.100     1.200     1.200 peak   489 spectrum    1 weight  0.10000E+01 volume  0.23398E-02 ppm1      8.062 ppm2      2.677 CV     1
 ASSI {  490}
   (( segid " 1SG" and resid 83   and name HN  ))
   (  segid " 1SG" and resid 83   and name HD% )
      3.700     1.700     1.700 peak   490 spectrum    1 weight  0.10000E+01 volume  0.23397E-02 ppm1      8.256 ppm2      7.116 CV     1
 ASSI {  493}
   (( segid " 1SG" and resid 23   and name HN  ))
   (( segid " 1SG" and resid 22   and name HB  ))
      3.700     1.700     1.700 peak   493 spectrum    1 weight  0.10000E+01 volume  0.23314E-02 ppm1      7.914 ppm2      1.515 CV     1
 ASSI {  495}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 44   and name HA2 ))
      3.000     1.100     1.100 peak   495 spectrum    1 weight  0.10000E+01 volume  0.23188E-02 ppm1      8.211 ppm2      3.816 CV     1
 ASSI {  498}
   (( segid " 1SG" and resid 52   and name HN  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      3.200     1.300     1.300 peak   498 spectrum    1 weight  0.10000E+01 volume  0.23093E-02 ppm1      7.782 ppm2      1.075 CV     1
 ASSI {  500}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 66   and name HA  ))
      3.100     1.200     1.200 peak   500 spectrum    1 weight  0.10000E+01 volume  0.23052E-02 ppm1      7.422 ppm2      4.123 CV     1
 ASSI {  501}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 106  and name HB  ))
      2.900     1.000     1.000 peak   501 spectrum    1 weight  0.10000E+01 volume  0.23017E-02 ppm1      8.151 ppm2      1.850 CV     1
 ASSI {  503}
   (( segid " 1SG" and resid 87   and name HN  ))
   (  segid " 1SG" and resid 87   and name HD% )
      2.600     0.800     0.800 peak   503 spectrum    1 weight  0.10000E+01 volume  0.22773E-02 ppm1      9.115 ppm2      6.800 CV     1
 ASSI {  504}
   (( segid " 1SG" and resid 61   and name HN  ))
   (( segid " 1SG" and resid 60   and name HB2 ))
      3.900     1.900     1.900 peak   504 spectrum    1 weight  0.10000E+01 volume  0.22687E-02 ppm1      8.180 ppm2      2.991 CV     1
 ASSI {  506}
   (( segid " 1SG" and resid 82   and name HN  ))
   (  segid " 1SG" and resid 82   and name HB% )
      3.200     1.300     1.300 peak   506 spectrum    1 weight  0.10000E+01 volume  0.22526E-02 ppm1      8.017 ppm2      1.312 CV     1
 ASSI {  508}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 96   and name HB2 ))
      3.800     1.800     1.800 peak   508 spectrum    1 weight  0.10000E+01 volume  0.22433E-02 ppm1      8.059 ppm2      1.560 CV     1
 ASSI {  509}
   (( segid " 1SG" and resid 80   and name HE21))
   (( segid " 1SG" and resid 80   and name HB1 ))
      3.000     1.100     1.100 peak   509 spectrum    1 weight  0.10000E+01 volume  0.22397E-02 ppm1      6.985 ppm2      1.949 CV     1
 OR {  509}
   (( segid " 1SG" and resid 80   and name HE21))
   (( segid " 1SG" and resid 80   and name HB2 ))
 ASSI {  510}
   (( segid " 1SG" and resid 85   and name HN  ))
   (( segid " 1SG" and resid 85   and name HA1 ))
      2.800     1.000     1.000 peak   510 spectrum    1 weight  0.10000E+01 volume  0.22295E-02 ppm1      9.407 ppm2      3.930 CV     1
 ASSI {  511}
   (( segid " 1SG" and resid 12   and name HN  ))
   (( segid " 1SG" and resid 12   and name HB2 ))
      2.900     1.100     1.100 peak   511 spectrum    1 weight  0.10000E+01 volume  0.22179E-02 ppm1      8.347 ppm2      1.969 CV     1
 ASSI {  512}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 102  and name HB2 ))
      3.300     1.400     1.400 peak   512 spectrum    1 weight  0.10000E+01 volume  0.22179E-02 ppm1      9.242 ppm2      2.724 CV     1
 ASSI {  515}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 20   and name HN  ))
      3.300     1.300     1.300 peak   515 spectrum    1 weight  0.10000E+01 volume  0.22102E-02 ppm1      8.972 ppm2      8.828 CV     1
 ASSI {  516}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 8    and name HB  ))
      2.900     1.100     1.100 peak   516 spectrum    1 weight  0.10000E+01 volume  0.22004E-02 ppm1      7.887 ppm2      1.807 CV     1
 ASSI {  518}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 87   and name HA  ))
      2.700     0.900     0.900 peak   518 spectrum    1 weight  0.10000E+01 volume  0.21934E-02 ppm1      9.108 ppm2      4.962 CV     1
 ASSI {  522}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB1 ))
      3.600     1.600     1.600 peak   522 spectrum    1 weight  0.10000E+01 volume  0.21760E-02 ppm1      8.381 ppm2      2.395 CV     1
 OR {  522}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB2 ))
 ASSI {  526}
   (( segid " 1SG" and resid 29   and name HN  ))
   (( segid " 1SG" and resid 29   and name HA  ))
      2.800     1.000     1.000 peak   526 spectrum    1 weight  0.10000E+01 volume  0.21339E-02 ppm1      8.854 ppm2      4.390 CV     1
 ASSI {  530}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 54   and name HA2 ))
      3.300     1.400     1.400 peak   530 spectrum    1 weight  0.10000E+01 volume  0.21107E-02 ppm1      9.019 ppm2      4.291 CV     1
 ASSI {  531}
   (( segid " 1SG" and resid 19   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      3.300     1.400     1.400 peak   531 spectrum    1 weight  0.10000E+01 volume  0.20960E-02 ppm1      9.828 ppm2      1.174 CV     1
 ASSI {  532}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 60   and name HB2 ))
      2.800     1.000     1.000 peak   532 spectrum    1 weight  0.10000E+01 volume  0.20940E-02 ppm1      8.687 ppm2      2.990 CV     1
 ASSI {  533}
   (( segid " 1SG" and resid 5    and name HN  ))
   (( segid " 1SG" and resid 4    and name HB  ))
      2.400     0.700     0.700 peak   533 spectrum    1 weight  0.10000E+01 volume  0.20844E-02 ppm1      8.144 ppm2      2.029 CV     1
 ASSI {  534}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 71   and name HN  ))
      2.900     1.100     1.100 peak   534 spectrum    1 weight  0.10000E+01 volume  0.20825E-02 ppm1      8.848 ppm2      8.722 CV     1
 ASSI {  535}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 105  and name HB  ))
      3.000     1.100     1.100 peak   535 spectrum    1 weight  0.10000E+01 volume  0.20726E-02 ppm1      8.398 ppm2      3.929 CV     1
 ASSI {  537}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 58   and name HA  ))
      2.900     1.000     1.000 peak   537 spectrum    1 weight  0.10000E+01 volume  0.20704E-02 ppm1      8.940 ppm2      4.631 CV     1
 ASSI {  539}
   (( segid " 1SG" and resid 28   and name HN  ))
   (  segid " 1SG" and resid 28   and name HG2%)
      3.100     1.200     1.200 peak   539 spectrum    1 weight  0.10000E+01 volume  0.20631E-02 ppm1      9.673 ppm2      0.631 CV     1
 ASSI {  540}
   (( segid " 1SG" and resid 48   and name HN  ))
   (( segid " 1SG" and resid 48   and name HA  ))
      2.900     1.100     1.100 peak   540 spectrum    1 weight  0.10000E+01 volume  0.20560E-02 ppm1      8.396 ppm2      4.191 CV     1
 ASSI {  541}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 40   and name HB2 ))
      3.600     1.600     1.600 peak   541 spectrum    1 weight  0.10000E+01 volume  0.20542E-02 ppm1      8.694 ppm2      1.340 CV     1
 ASSI {  542}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 59   and name HA  ))
      2.800     1.000     1.000 peak   542 spectrum    1 weight  0.10000E+01 volume  0.20526E-02 ppm1      8.380 ppm2      5.185 CV     1
 ASSI {  544}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 16   and name HN  ))
      3.200     1.300     1.300 peak   544 spectrum    1 weight  0.10000E+01 volume  0.20411E-02 ppm1      8.823 ppm2      8.584 CV     1
 ASSI {  545}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 93   and name HN  ))
      2.800     1.000     1.000 peak   545 spectrum    1 weight  0.10000E+01 volume  0.20396E-02 ppm1      7.548 ppm2      8.557 CV     1
 ASSI {  546}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 71   and name HB2 ))
      3.300     1.300     1.300 peak   546 spectrum    1 weight  0.10000E+01 volume  0.20341E-02 ppm1      8.723 ppm2      1.271 CV     1
 ASSI {  548}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 58   and name HG2 ))
      4.500     2.500     1.500 peak   548 spectrum    1 weight  0.10000E+01 volume  0.20269E-02 ppm1      8.378 ppm2      1.797 CV     1
 ASSI {  549}
   (( segid " 1SG" and resid 91   and name HN  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      3.800     1.800     1.800 peak   549 spectrum    1 weight  0.10000E+01 volume  0.20269E-02 ppm1      8.474 ppm2      0.179 CV     1
 ASSI {  550}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 14   and name HA2 ))
      2.900     1.000     1.000 peak   550 spectrum    1 weight  0.10000E+01 volume  0.20221E-02 ppm1      9.184 ppm2      4.939 CV     1
 ASSI {  551}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 40   and name HB2 ))
      3.400     1.500     1.500 peak   551 spectrum    1 weight  0.10000E+01 volume  0.20182E-02 ppm1      9.309 ppm2      1.344 CV     1
 ASSI {  554}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 88   and name HA  ))
      2.900     1.000     1.000 peak   554 spectrum    1 weight  0.10000E+01 volume  0.20086E-02 ppm1      8.977 ppm2      5.305 CV     1
 ASSI {  555}
   (( segid " 1SG" and resid 59   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD1%)
      4.100     2.100     1.900 peak   555 spectrum    1 weight  0.10000E+01 volume  0.20046E-02 ppm1      8.380 ppm2      0.859 CV     1
 ASSI {  558}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 49   and name HN  ))
      2.900     1.000     1.000 peak   558 spectrum    1 weight  0.10000E+01 volume  0.19871E-02 ppm1      8.941 ppm2      9.293 CV     1
 ASSI {  559}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 47   and name HB  ))
      3.300     1.400     1.400 peak   559 spectrum    1 weight  0.10000E+01 volume  0.19848E-02 ppm1      8.633 ppm2      2.501 CV     1
 ASSI {  560}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 92   and name HB2 ))
      3.100     1.200     1.200 peak   560 spectrum    1 weight  0.10000E+01 volume  0.19789E-02 ppm1      8.734 ppm2      3.936 CV     1
 OR {  560}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 92   and name HB1 ))
 ASSI {  561}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 96   and name HB2 ))
      2.400     0.700     0.700 peak   561 spectrum    1 weight  0.10000E+01 volume  0.19731E-02 ppm1      7.548 ppm2      1.566 CV     1
 ASSI {  563}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 64   and name HA  ))
      3.800     1.800     1.800 peak   563 spectrum    1 weight  0.10000E+01 volume  0.19628E-02 ppm1      8.107 ppm2      4.573 CV     1
 ASSI {  564}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 39   and name HA  ))
      2.800     1.000     1.000 peak   564 spectrum    1 weight  0.10000E+01 volume  0.19597E-02 ppm1      7.892 ppm2      4.799 CV     1
 ASSI {  565}
   (( segid " 1SG" and resid 72   and name HN  ))
   (  segid " 1SG" and resid 72   and name HD% )
      2.700     0.900     0.900 peak   565 spectrum    1 weight  0.10000E+01 volume  0.19584E-02 ppm1      9.296 ppm2      7.306 CV     1
 ASSI {  566}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 14   and name HA1 ))
      3.100     1.200     1.200 peak   566 spectrum    1 weight  0.10000E+01 volume  0.19490E-02 ppm1      9.184 ppm2      3.743 CV     1
 ASSI {  567}
   (( segid " 1SG" and resid 77   and name HN  ))
   (( segid " 1SG" and resid 77   and name HA  ))
      2.800     1.000     1.000 peak   567 spectrum    1 weight  0.10000E+01 volume  0.19488E-02 ppm1      8.715 ppm2      4.655 CV     1
 ASSI {  570}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 87   and name HA  ))
      3.100     1.200     1.200 peak   570 spectrum    1 weight  0.10000E+01 volume  0.19187E-02 ppm1      8.211 ppm2      4.972 CV     1
 ASSI {  571}
   (( segid " 1SG" and resid 30   and name HN  ))
   (( segid " 1SG" and resid 30   and name HA2 ))
      3.300     1.300     1.300 peak   571 spectrum    1 weight  0.10000E+01 volume  0.19165E-02 ppm1      8.590 ppm2      4.673 CV     1
 ASSI {  573}
   (( segid " 1SG" and resid 108  and name HN  ))
   (  segid " 1SG" and resid 18   and name HG2%)
      3.500     1.500     1.500 peak   573 spectrum    1 weight  0.10000E+01 volume  0.18924E-02 ppm1      8.565 ppm2      0.943 CV     1
 ASSI {  574}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 13   and name HB2 ))
      2.600     0.800     0.800 peak   574 spectrum    1 weight  0.10000E+01 volume  0.18908E-02 ppm1      9.184 ppm2      2.684 CV     1
 ASSI {  575}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 75   and name HB2 ))
      3.200     1.300     1.300 peak   575 spectrum    1 weight  0.10000E+01 volume  0.18902E-02 ppm1      8.941 ppm2      2.888 CV     1
 OR {  575}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 75   and name HB1 ))
 ASSI {  576}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 77   and name HA  ))
      2.900     1.000     1.000 peak   576 spectrum    1 weight  0.10000E+01 volume  0.18803E-02 ppm1      8.887 ppm2      4.655 CV     1
 ASSI {  578}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 40   and name HA  ))
      2.900     1.100     1.100 peak   578 spectrum    1 weight  0.10000E+01 volume  0.18798E-02 ppm1      8.696 ppm2      4.547 CV     1
 ASSI {  579}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 65   and name HA  ))
      3.300     1.400     1.400 peak   579 spectrum    1 weight  0.10000E+01 volume  0.18776E-02 ppm1      8.106 ppm2      3.452 CV     1
 ASSI {  581}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 84   and name HA  ))
      3.000     1.100     1.100 peak   581 spectrum    1 weight  0.10000E+01 volume  0.18587E-02 ppm1      8.151 ppm2      4.228 CV     1
 ASSI {  582}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 56   and name HN  ))
      2.900     1.000     1.000 peak   582 spectrum    1 weight  0.10000E+01 volume  0.18585E-02 ppm1      7.199 ppm2      8.391 CV     1
 ASSI {  584}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 96   and name HG1 ))
      3.900     1.900     1.900 peak   584 spectrum    1 weight  0.10000E+01 volume  0.18571E-02 ppm1      8.062 ppm2      1.318 CV     1
 OR {  584}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 96   and name HG2 ))
 ASSI {  585}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HB2 ))
      3.000     1.100     1.100 peak   585 spectrum    1 weight  0.10000E+01 volume  0.18544E-02 ppm1      8.888 ppm2      1.573 CV     1
 OR {  585}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HB1 ))
 ASSI {  587}
   (( segid " 1SG" and resid 79   and name HN  ))
   (  segid " 1SG" and resid 76   and name HG2%)
      3.300     1.400     1.400 peak   587 spectrum    1 weight  0.10000E+01 volume  0.18470E-02 ppm1      8.974 ppm2      0.787 CV     1
 ASSI {  590}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 53   and name HA  ))
      3.600     1.700     1.700 peak   590 spectrum    1 weight  0.10000E+01 volume  0.18234E-02 ppm1      7.198 ppm2      4.042 CV     1
 ASSI {  592}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 94   and name HA  ))
      3.100     1.200     1.200 peak   592 spectrum    1 weight  0.10000E+01 volume  0.18203E-02 ppm1      7.971 ppm2      4.045 CV     1
 ASSI {  593}
   (( segid " 1SG" and resid 63   and name HN  ))
   (( segid " 1SG" and resid 63   and name HB2 ))
      3.700     1.700     1.700 peak   593 spectrum    1 weight  0.10000E+01 volume  0.18192E-02 ppm1      8.518 ppm2      2.529 CV     1
 ASSI {  595}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 76   and name HB  ))
      3.400     1.500     1.500 peak   595 spectrum    1 weight  0.10000E+01 volume  0.18070E-02 ppm1      8.888 ppm2      1.901 CV     1
 ASSI {  596}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 104  and name HA  ))
      2.900     1.100     1.100 peak   596 spectrum    1 weight  0.10000E+01 volume  0.18049E-02 ppm1      9.184 ppm2      5.418 CV     1
 ASSI {  597}
   (( segid " 1SG" and resid 18   and name HN  ))
   (( segid " 1SG" and resid 108  and name HA  ))
      3.600     1.600     1.600 peak   597 spectrum    1 weight  0.10000E+01 volume  0.18049E-02 ppm1      8.006 ppm2      4.146 CV     1
 ASSI {  599}
   (( segid " 1SG" and resid 80   and name HN  ))
   (( segid " 1SG" and resid 79   and name HA  ))
      2.900     1.000     1.000 peak   599 spectrum    1 weight  0.10000E+01 volume  0.17901E-02 ppm1      5.579 ppm2      3.659 CV     1
 ASSI {  601}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      4.000     2.000     2.000 peak   601 spectrum    1 weight  0.10000E+01 volume  0.17780E-02 ppm1      9.018 ppm2      1.461 CV     1
 ASSI {  603}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 38   and name HN  ))
      3.000     1.100     1.100 peak   603 spectrum    1 weight  0.10000E+01 volume  0.17689E-02 ppm1      8.735 ppm2      8.378 CV     1
 ASSI {  604}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 46   and name HN  ))
      2.500     0.800     0.800 peak   604 spectrum    1 weight  0.10000E+01 volume  0.17672E-02 ppm1      7.293 ppm2      8.221 CV     1
 ASSI {  608}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 78   and name HB2 ))
      3.200     1.300     1.300 peak   608 spectrum    1 weight  0.10000E+01 volume  0.17512E-02 ppm1      8.054 ppm2      2.374 CV     1
 ASSI {  611}
   (( segid " 1SG" and resid 23   and name HN  ))
   (  segid " 1SG" and resid 23   and name HG2%)
      3.800     1.800     1.800 peak   611 spectrum    1 weight  0.10000E+01 volume  0.17428E-02 ppm1      7.914 ppm2      0.771 CV     1
 ASSI {  612}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 28   and name HB  ))
      3.000     1.100     1.100 peak   612 spectrum    1 weight  0.10000E+01 volume  0.17350E-02 ppm1      9.674 ppm2      1.955 CV     1
 ASSI {  613}
   (( segid " 1SG" and resid 107  and name HN  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      3.600     1.600     1.600 peak   613 spectrum    1 weight  0.10000E+01 volume  0.17328E-02 ppm1      8.823 ppm2      0.606 CV     1
 ASSI {  614}
   (( segid " 1SG" and resid 17   and name HN  ))
   (( segid " 1SG" and resid 18   and name HN  ))
      3.700     1.700     1.700 peak   614 spectrum    1 weight  0.10000E+01 volume  0.17269E-02 ppm1      7.899 ppm2      7.995 CV     1
 ASSI {  619}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 2    and name HB2 ))
      4.400     2.400     1.600 peak   619 spectrum    1 weight  0.10000E+01 volume  0.16857E-02 ppm1      7.971 ppm2      2.674 CV     1
 ASSI {  620}
   (( segid " 1SG" and resid 107  and name HN  ))
   (  segid " 1SG" and resid 106  and name HG1%)
      3.900     1.900     1.900 peak   620 spectrum    1 weight  0.10000E+01 volume  0.16830E-02 ppm1      8.823 ppm2      0.675 CV     1
 ASSI {  622}
   (( segid " 1SG" and resid 61   and name HN  ))
   (( segid " 1SG" and resid 61   and name HB2 ))
      3.300     1.400     1.400 peak   622 spectrum    1 weight  0.10000E+01 volume  0.16718E-02 ppm1      8.177 ppm2      2.298 CV     1
 ASSI {  623}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 58   and name HG2 ))
      3.600     1.600     1.600 peak   623 spectrum    1 weight  0.10000E+01 volume  0.16713E-02 ppm1      8.941 ppm2      1.805 CV     1
 ASSI {  626}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 92   and name HA  ))
      3.100     1.200     1.200 peak   626 spectrum    1 weight  0.10000E+01 volume  0.16674E-02 ppm1      8.735 ppm2      5.242 CV     1
 ASSI {  627}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 68   and name HN  ))
      3.800     1.800     1.800 peak   627 spectrum    1 weight  0.10000E+01 volume  0.16672E-02 ppm1      8.106 ppm2      7.877 CV     1
 ASSI {  630}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 16   and name HB  ))
      3.700     1.700     1.700 peak   630 spectrum    1 weight  0.10000E+01 volume  0.16506E-02 ppm1      8.594 ppm2      1.795 CV     1
 ASSI {  631}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 97   and name HA  ))
      3.100     1.200     1.200 peak   631 spectrum    1 weight  0.10000E+01 volume  0.16505E-02 ppm1      8.062 ppm2      5.253 CV     1
 ASSI {  632}
   (( segid " 1SG" and resid 58   and name HE22))
   (( segid " 1SG" and resid 76   and name HG12))
      3.900     1.900     1.900 peak   632 spectrum    1 weight  0.10000E+01 volume  0.16490E-02 ppm1      6.684 ppm2      1.101 CV     1
 ASSI {  635}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB2 ))
      3.100     1.200     1.200 peak   635 spectrum    1 weight  0.10000E+01 volume  0.16412E-02 ppm1      8.944 ppm2      2.395 CV     1
 OR {  635}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB1 ))
 ASSI {  636}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 25   and name HB2 ))
      3.200     1.300     1.300 peak   636 spectrum    1 weight  0.10000E+01 volume  0.16348E-02 ppm1      8.404 ppm2      3.599 CV     1
 ASSI {  637}
   (( segid " 1SG" and resid 7    and name HN  ))
   (  segid " 1SG" and resid 7    and name HD% )
      3.900     1.900     1.900 peak   637 spectrum    1 weight  0.10000E+01 volume  0.16302E-02 ppm1      8.878 ppm2      7.307 CV     1
 ASSI {  638}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 75   and name HA  ))
      3.100     1.200     1.200 peak   638 spectrum    1 weight  0.10000E+01 volume  0.16283E-02 ppm1      9.154 ppm2      5.086 CV     1
 ASSI {  642}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 35   and name HD2 ))
      3.300     1.400     1.400 peak   642 spectrum    1 weight  0.10000E+01 volume  0.16149E-02 ppm1      8.373 ppm2      1.622 CV     1
 OR {  642}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 35   and name HD1 ))
 ASSI {  643}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 75   and name HN  ))
      2.900     1.100     1.100 peak   643 spectrum    1 weight  0.10000E+01 volume  0.16135E-02 ppm1      8.939 ppm2      9.154 CV     1
 ASSI {  644}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 19   and name HN  ))
      3.300     1.300     1.300 peak   644 spectrum    1 weight  0.10000E+01 volume  0.15958E-02 ppm1      8.973 ppm2      9.828 CV     1
 ASSI {  645}
   (( segid " 1SG" and resid 59   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD2%)
      3.800     1.800     1.800 peak   645 spectrum    1 weight  0.10000E+01 volume  0.15926E-02 ppm1      8.381 ppm2      0.692 CV     1
 ASSI {  646}
   (( segid " 1SG" and resid 5    and name HN  ))
   (( segid " 1SG" and resid 4    and name HA  ))
      3.300     1.300     1.300 peak   646 spectrum    1 weight  0.10000E+01 volume  0.15893E-02 ppm1      8.144 ppm2      4.009 CV     1
 ASSI {  647}
   (( segid " 1SG" and resid 77   and name HN  ))
   (( segid " 1SG" and resid 57   and name HA  ))
      4.000     2.000     2.000 peak   647 spectrum    1 weight  0.10000E+01 volume  0.15879E-02 ppm1      8.715 ppm2      5.396 CV     1
 ASSI {  649}
   (( segid " 1SG" and resid 80   and name HE22))
   (( segid " 1SG" and resid 80   and name HB1 ))
      4.000     2.000     2.000 peak   649 spectrum    1 weight  0.10000E+01 volume  0.15816E-02 ppm1      6.645 ppm2      1.953 CV     1
 OR {  649}
   (( segid " 1SG" and resid 80   and name HE22))
   (( segid " 1SG" and resid 80   and name HB2 ))
 ASSI {  651}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 94   and name HB2 ))
      2.800     1.000     1.000 peak   651 spectrum    1 weight  0.10000E+01 volume  0.15700E-02 ppm1      7.971 ppm2      1.782 CV     1
 ASSI {  652}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 11   and name HA  ))
      3.500     1.600     1.600 peak   652 spectrum    1 weight  0.10000E+01 volume  0.15635E-02 ppm1      8.398 ppm2      4.795 CV     1
 ASSI {  653}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 64   and name HB2 ))
      3.300     1.400     1.400 peak   653 spectrum    1 weight  0.10000E+01 volume  0.15593E-02 ppm1      6.898 ppm2      2.337 CV     1
 ASSI {  654}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 59   and name HG  ))
      4.000     2.000     2.000 peak   654 spectrum    1 weight  0.10000E+01 volume  0.15574E-02 ppm1      8.699 ppm2      1.425 CV     1
 ASSI {  656}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 68   and name HA  ))
      4.600     2.700     1.400 peak   656 spectrum    1 weight  0.10000E+01 volume  0.15532E-02 ppm1      7.420 ppm2      3.594 CV     1
 ASSI {  658}
   (( segid " 1SG" and resid 26   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD1%)
      3.100     1.200     1.200 peak   658 spectrum    1 weight  0.10000E+01 volume  0.15521E-02 ppm1      9.497 ppm2      0.841 CV     1
 ASSI {  659}
   (( segid " 1SG" and resid 103  and name HD22))
   (( segid " 1SG" and resid 103  and name HB2 ))
      4.200     2.200     1.800 peak   659 spectrum    1 weight  0.10000E+01 volume  0.15497E-02 ppm1      6.747 ppm2      2.501 CV     1
 ASSI {  660}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 24   and name HB2 ))
      3.800     1.800     1.800 peak   660 spectrum    1 weight  0.10000E+01 volume  0.15489E-02 ppm1      8.399 ppm2      2.394 CV     1
 ASSI {  661}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 45   and name HD2 ))
      3.700     1.700     1.700 peak   661 spectrum    1 weight  0.10000E+01 volume  0.15457E-02 ppm1     10.113 ppm2      1.215 CV     1
 OR {  661}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 45   and name HD1 ))
 ASSI {  662}
   (( segid " 1SG" and resid 34   and name HN  ))
   (( segid " 1SG" and resid 93   and name HA  ))
      4.300     2.300     1.700 peak   662 spectrum    1 weight  0.10000E+01 volume  0.15411E-02 ppm1      8.673 ppm2      4.763 CV     1
 ASSI {  663}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 73   and name HN  ))
      3.200     1.300     1.300 peak   663 spectrum    1 weight  0.10000E+01 volume  0.15384E-02 ppm1      8.686 ppm2      9.449 CV     1
 ASSI {  664}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 61   and name HA  ))
      3.700     1.700     1.700 peak   664 spectrum    1 weight  0.10000E+01 volume  0.15377E-02 ppm1      9.450 ppm2      5.557 CV     1
 ASSI {  665}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 24   and name HA  ))
      3.000     1.100     1.100 peak   665 spectrum    1 weight  0.10000E+01 volume  0.15376E-02 ppm1      9.240 ppm2      4.615 CV     1
 ASSI {  666}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 27   and name HB1 ))
      3.300     1.400     1.400 peak   666 spectrum    1 weight  0.10000E+01 volume  0.15248E-02 ppm1      9.672 ppm2      1.578 CV     1
 OR {  666}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 27   and name HB2 ))
 ASSI {  667}
   (( segid " 1SG" and resid 104  and name HN  ))
   (  segid " 1SG" and resid 87   and name HD% )
      3.300     1.400     1.400 peak   667 spectrum    1 weight  0.10000E+01 volume  0.15235E-02 ppm1      8.792 ppm2      6.806 CV     1
 ASSI {  668}
   (( segid " 1SG" and resid 26   and name HN  ))
   (( segid " 1SG" and resid 25   and name HB2 ))
      3.700     1.700     1.700 peak   668 spectrum    1 weight  0.10000E+01 volume  0.15188E-02 ppm1      9.497 ppm2      3.598 CV     1
 ASSI {  669}
   (( segid " 1SG" and resid 58   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
      3.400     1.400     1.400 peak   669 spectrum    1 weight  0.10000E+01 volume  0.15185E-02 ppm1      8.941 ppm2      0.604 CV     1
 OR {  669}
   (( segid " 1SG" and resid 58   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI {  670}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 3    and name HD1 ))
      4.100     2.100     1.900 peak   670 spectrum    1 weight  0.10000E+01 volume  0.15101E-02 ppm1      8.118 ppm2      3.845 CV     1
 OR {  670}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 3    and name HD2 ))
 ASSI {  672}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 93   and name HA  ))
      3.400     1.400     1.400 peak   672 spectrum    1 weight  0.10000E+01 volume  0.15060E-02 ppm1      8.375 ppm2      4.772 CV     1
 ASSI {  673}
   (( segid " 1SG" and resid 25   and name HN  ))
   (  segid " 1SG" and resid 24   and name HD% )
      4.000     2.000     2.000 peak   673 spectrum    1 weight  0.10000E+01 volume  0.15042E-02 ppm1      8.400 ppm2      6.932 CV     1
 ASSI {  676}
   (( segid " 1SG" and resid 68   and name HN  ))
   (( segid " 1SG" and resid 67   and name HA  ))
      3.500     1.600     1.600 peak   676 spectrum    1 weight  0.10000E+01 volume  0.14973E-02 ppm1      7.874 ppm2      4.297 CV     1
 ASSI {  678}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 107  and name HD2 ))
      3.300     1.300     1.300 peak   678 spectrum    1 weight  0.10000E+01 volume  0.14950E-02 ppm1      8.821 ppm2      6.922 CV     1
 ASSI {  679}
   (( segid " 1SG" and resid 8    and name HN  ))
   (( segid " 1SG" and resid 8    and name HB  ))
      3.100     1.200     1.200 peak   679 spectrum    1 weight  0.10000E+01 volume  0.14914E-02 ppm1      9.052 ppm2      1.821 CV     1
 ASSI {  680}
   (( segid " 1SG" and resid 77   and name HN  ))
   (( segid " 1SG" and resid 77   and name HB  ))
      3.600     1.600     1.600 peak   680 spectrum    1 weight  0.10000E+01 volume  0.14904E-02 ppm1      8.717 ppm2      4.008 CV     1
 ASSI {  681}
   (( segid " 1SG" and resid 23   and name HN  ))
   (( segid " 1SG" and resid 23   and name HA  ))
      3.000     1.100     1.100 peak   681 spectrum    1 weight  0.10000E+01 volume  0.14881E-02 ppm1      7.913 ppm2      5.100 CV     1
 ASSI {  682}
   (( segid " 1SG" and resid 100  and name HN  ))
   (( segid " 1SG" and resid 90   and name HA  ))
      3.700     1.700     1.700 peak   682 spectrum    1 weight  0.10000E+01 volume  0.14867E-02 ppm1      8.897 ppm2      4.788 CV     1
 ASSI {  683}
   (( segid " 1SG" and resid 76   and name HN  ))
   (( segid " 1SG" and resid 75   and name HB1 ))
      4.000     2.000     2.000 peak   683 spectrum    1 weight  0.10000E+01 volume  0.14849E-02 ppm1      8.925 ppm2      2.891 CV     1
 OR {  683}
   (( segid " 1SG" and resid 76   and name HN  ))
   (( segid " 1SG" and resid 75   and name HB2 ))
 ASSI {  684}
   (( segid " 1SG" and resid 102  and name HN  ))
   (( segid " 1SG" and resid 102  and name HA  ))
      3.200     1.300     1.300 peak   684 spectrum    1 weight  0.10000E+01 volume  0.14836E-02 ppm1      8.557 ppm2      4.989 CV     1
 ASSI {  686}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 49   and name HB2 ))
      3.900     1.900     1.900 peak   686 spectrum    1 weight  0.10000E+01 volume  0.14818E-02 ppm1      7.786 ppm2      1.548 CV     1
 ASSI {  690}
   (( segid " 1SG" and resid 64   and name HN  ))
   (( segid " 1SG" and resid 69   and name HN  ))
      3.200     1.300     1.300 peak   690 spectrum    1 weight  0.10000E+01 volume  0.14701E-02 ppm1      7.751 ppm2      6.898 CV     1
 ASSI {  691}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 33   and name HA  ))
      4.100     2.100     1.900 peak   691 spectrum    1 weight  0.10000E+01 volume  0.14693E-02 ppm1      7.509 ppm2      4.450 CV     1
 ASSI {  694}
   (( segid " 1SG" and resid 74   and name HN  ))
   (  segid " 1SG" and resid 23   and name HG2%)
      3.500     1.500     1.500 peak   694 spectrum    1 weight  0.10000E+01 volume  0.14630E-02 ppm1      8.470 ppm2      0.765 CV     1
 ASSI {  696}
   (( segid " 1SG" and resid 68   and name HN  ))
   (( segid " 1SG" and resid 65   and name HA  ))
      3.000     1.100     1.100 peak   696 spectrum    1 weight  0.10000E+01 volume  0.14562E-02 ppm1      7.878 ppm2      3.451 CV     1
 ASSI {  698}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 45   and name HB2 ))
      3.600     1.600     1.600 peak   698 spectrum    1 weight  0.10000E+01 volume  0.14473E-02 ppm1     10.115 ppm2      0.595 CV     1
 OR {  698}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 45   and name HG2 ))
 ASSI {  699}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 38   and name HB  ))
      4.100     2.100     1.900 peak   699 spectrum    1 weight  0.10000E+01 volume  0.14437E-02 ppm1      7.893 ppm2      1.891 CV     1
 ASSI {  700}
   (( segid " 1SG" and resid 26   and name HN  ))
   (( segid " 1SG" and resid 26   and name HA  ))
      3.100     1.200     1.200 peak   700 spectrum    1 weight  0.10000E+01 volume  0.14404E-02 ppm1      9.494 ppm2      4.916 CV     1
 ASSI {  701}
   (( segid " 1SG" and resid 106  and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      4.200     2.200     1.800 peak   701 spectrum    1 weight  0.10000E+01 volume  0.14399E-02 ppm1      8.148 ppm2      0.372 CV     1
 ASSI {  702}
   (( segid " 1SG" and resid 50   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD1%)
      3.700     1.700     1.700 peak   702 spectrum    1 weight  0.10000E+01 volume  0.14397E-02 ppm1      8.941 ppm2      0.855 CV     1
 ASSI {  703}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 21   and name HA  ))
      2.800     1.000     1.000 peak   703 spectrum    1 weight  0.10000E+01 volume  0.14396E-02 ppm1      8.053 ppm2      5.494 CV     1
 ASSI {  704}
   (( segid " 1SG" and resid 38   and name HN  ))
   (  segid " 1SG" and resid 93   and name HG2%)
      4.000     2.000     2.000 peak   704 spectrum    1 weight  0.10000E+01 volume  0.14374E-02 ppm1      8.372 ppm2      1.022 CV     1
 ASSI {  705}
   (( segid " 1SG" and resid 84   and name HN  ))
   (( segid " 1SG" and resid 104  and name HG  ))
      3.400     1.500     1.500 peak   705 spectrum    1 weight  0.10000E+01 volume  0.14359E-02 ppm1      7.866 ppm2      1.316 CV     1
 ASSI {  706}
   (( segid " 1SG" and resid 87   and name HN  ))
   (( segid " 1SG" and resid 103  and name HA  ))
      3.300     1.400     1.400 peak   706 spectrum    1 weight  0.10000E+01 volume  0.14352E-02 ppm1      9.115 ppm2      5.535 CV     1
 ASSI {  707}
   (( segid " 1SG" and resid 33   and name HN  ))
   (( segid " 1SG" and resid 33   and name HB2 ))
      3.700     1.700     1.700 peak   707 spectrum    1 weight  0.10000E+01 volume  0.14326E-02 ppm1      7.611 ppm2      1.718 CV     1
 ASSI {  708}
   (( segid " 1SG" and resid 71   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD2%)
      4.500     2.500     1.500 peak   708 spectrum    1 weight  0.10000E+01 volume  0.14308E-02 ppm1      8.723 ppm2      0.733 CV     1
 ASSI {  709}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 27   and name HB2 ))
      3.200     1.300     1.300 peak   709 spectrum    1 weight  0.10000E+01 volume  0.14301E-02 ppm1      7.888 ppm2      1.570 CV     1
 OR {  709}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 27   and name HB1 ))
 ASSI {  710}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 72   and name HA  ))
      3.600     1.600     1.600 peak   710 spectrum    1 weight  0.10000E+01 volume  0.14266E-02 ppm1      8.849 ppm2      5.367 CV     1
 ASSI {  711}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 24   and name HB2 ))
      3.000     1.100     1.100 peak   711 spectrum    1 weight  0.10000E+01 volume  0.14251E-02 ppm1      9.240 ppm2      2.394 CV     1
 ASSI {  712}
   (( segid " 1SG" and resid 19   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      4.100     2.100     1.900 peak   712 spectrum    1 weight  0.10000E+01 volume  0.14229E-02 ppm1      9.827 ppm2      0.372 CV     1
 ASSI {  713}
   (( segid " 1SG" and resid 72   and name HN  ))
   (( segid " 1SG" and resid 72   and name HB2 ))
      2.700     0.900     0.900 peak   713 spectrum    1 weight  0.10000E+01 volume  0.14214E-02 ppm1      9.295 ppm2      2.892 CV     1
 ASSI {  715}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 49   and name HA  ))
      3.300     1.300     1.300 peak   715 spectrum    1 weight  0.10000E+01 volume  0.14209E-02 ppm1      8.940 ppm2      3.867 CV     1
 ASSI {  716}
   (( segid " 1SG" and resid 42   and name HN  ))
   (  segid " 1SG" and resid 42   and name HD% )
      4.100     2.100     1.900 peak   716 spectrum    1 weight  0.10000E+01 volume  0.14204E-02 ppm1      9.448 ppm2      6.695 CV     1
 ASSI {  718}
   (( segid " 1SG" and resid 85   and name HN  ))
   (( segid " 1SG" and resid 104  and name HN  ))
      3.300     1.300     1.300 peak   718 spectrum    1 weight  0.10000E+01 volume  0.14168E-02 ppm1      9.408 ppm2      8.792 CV     1
 ASSI {  720}
   (( segid " 1SG" and resid 54   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
      3.700     1.700     1.700 peak   720 spectrum    1 weight  0.10000E+01 volume  0.14076E-02 ppm1      9.023 ppm2      0.598 CV     1
 OR {  720}
   (( segid " 1SG" and resid 54   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI {  725}
   (( segid " 1SG" and resid 74   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD2%)
      3.200     1.200     1.200 peak   725 spectrum    1 weight  0.10000E+01 volume  0.14034E-02 ppm1      8.471 ppm2      0.409 CV     1
 OR {  725}
   (( segid " 1SG" and resid 74   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI {  728}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (  segid " 1SG" and resid 72   and name HD% )
      3.200     1.300     1.300 peak   728 spectrum    1 weight  0.10000E+01 volume  0.13897E-02 ppm1     10.780 ppm2      7.306 CV     1
 ASSI {  729}
   (( segid " 1SG" and resid 44   and name HN  ))
   (  segid " 1SG" and resid 47   and name HG1%)
      4.200     2.200     1.800 peak   729 spectrum    1 weight  0.10000E+01 volume  0.13850E-02 ppm1      8.212 ppm2      0.992 CV     1
 ASSI {  730}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 107  and name HN  ))
      3.800     1.800     1.800 peak   730 spectrum    1 weight  0.10000E+01 volume  0.13811E-02 ppm1      8.563 ppm2      8.822 CV     1
 ASSI {  732}
   (( segid " 1SG" and resid 6    and name HN  ))
   (( segid " 1SG" and resid 7    and name HN  ))
      2.900     1.100     1.100 peak   732 spectrum    1 weight  0.10000E+01 volume  0.13784E-02 ppm1      8.450 ppm2      8.878 CV     1
 ASSI {  733}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 103  and name HB2 ))
      3.700     1.700     1.700 peak   733 spectrum    1 weight  0.10000E+01 volume  0.13773E-02 ppm1      8.794 ppm2      2.502 CV     1
 ASSI {  734}
   (( segid " 1SG" and resid 49   and name HN  ))
   (  segid " 1SG" and resid 49   and name HD2%)
      4.200     2.200     1.800 peak   734 spectrum    1 weight  0.10000E+01 volume  0.13684E-02 ppm1      9.288 ppm2      1.014 CV     1
 ASSI {  735}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (( segid " 1SG" and resid 72   and name HB2 ))
      3.400     1.400     1.400 peak   735 spectrum    1 weight  0.10000E+01 volume  0.13677E-02 ppm1     10.779 ppm2      2.895 CV     1
 ASSI {  736}
   (( segid " 1SG" and resid 19   and name HN  ))
   (( segid " 1SG" and resid 18   and name HB  ))
      4.000     2.000     2.000 peak   736 spectrum    1 weight  0.10000E+01 volume  0.13659E-02 ppm1      9.827 ppm2      1.919 CV     1
 ASSI {  737}
   (( segid " 1SG" and resid 63   and name HN  ))
   (  segid " 1SG" and resid 63   and name HD% )
      4.100     2.100     1.900 peak   737 spectrum    1 weight  0.10000E+01 volume  0.13601E-02 ppm1      8.518 ppm2      5.900 CV     1
 ASSI {  742}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 15   and name HG2 ))
      4.400     2.500     1.600 peak   742 spectrum    1 weight  0.10000E+01 volume  0.13492E-02 ppm1      8.593 ppm2      2.271 CV     1
 OR {  742}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 15   and name HG1 ))
 ASSI {  745}
   (( segid " 1SG" and resid 53   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
      3.500     1.500     1.500 peak   745 spectrum    1 weight  0.10000E+01 volume  0.13361E-02 ppm1      6.764 ppm2      0.597 CV     1
 OR {  745}
   (( segid " 1SG" and resid 53   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI {  746}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 3    and name HB1 ))
      4.100     2.100     1.900 peak   746 spectrum    1 weight  0.10000E+01 volume  0.13354E-02 ppm1      8.263 ppm2      2.285 CV     1
 OR {  746}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 3    and name HB2 ))
 ASSI {  747}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 49   and name HA  ))
      3.100     1.200     1.200 peak   747 spectrum    1 weight  0.10000E+01 volume  0.13345E-02 ppm1      7.785 ppm2      3.862 CV     1
 ASSI {  748}
   (( segid " 1SG" and resid 73   and name HN  ))
   (  segid " 1SG" and resid 72   and name HD% )
      2.600     2.600     3.400 peak   748 spectrum    1 weight  0.10000E+01 volume  0.13344E-02 ppm1      9.449 ppm2      7.306 CV     1
 ASSI {  751}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 18   and name HN  ))
      3.600     1.700     1.700 peak   751 spectrum    1 weight  0.10000E+01 volume  0.13297E-02 ppm1      8.821 ppm2      8.005 CV     1
 ASSI {  753}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 25   and name HA  ))
      3.000     1.100     1.100 peak   753 spectrum    1 weight  0.10000E+01 volume  0.13249E-02 ppm1      8.399 ppm2      5.688 CV     1
 ASSI {  754}
   (( segid " 1SG" and resid 31   and name HN  ))
   (( segid " 1SG" and resid 31   and name HA  ))
      3.000     1.100     1.100 peak   754 spectrum    1 weight  0.10000E+01 volume  0.13245E-02 ppm1      8.418 ppm2      4.164 CV     1
 ASSI {  755}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 22   and name HB  ))
      3.200     1.300     1.300 peak   755 spectrum    1 weight  0.10000E+01 volume  0.13234E-02 ppm1      8.887 ppm2      1.514 CV     1
 ASSI {  758}
   (( segid " 1SG" and resid 57   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
      3.900     1.900     1.900 peak   758 spectrum    1 weight  0.10000E+01 volume  0.13199E-02 ppm1      7.199 ppm2      0.601 CV     1
 OR {  758}
   (( segid " 1SG" and resid 57   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI {  759}
   (( segid " 1SG" and resid 83   and name HN  ))
   (  segid " 1SG" and resid 104  and name HD2%)
      4.200     2.200     1.800 peak   759 spectrum    1 weight  0.10000E+01 volume  0.13166E-02 ppm1      8.256 ppm2      0.808 CV     1
 ASSI {  760}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 9    and name HB2 ))
      4.100     2.100     1.900 peak   760 spectrum    1 weight  0.10000E+01 volume  0.13132E-02 ppm1      8.888 ppm2      1.892 CV     1
 ASSI {  762}
   (( segid " 1SG" and resid 68   and name HN  ))
   (  segid " 1SG" and resid 66   and name HB% )
      2.700     2.700     3.300 peak   762 spectrum    1 weight  0.10000E+01 volume  0.13045E-02 ppm1      7.875 ppm2      1.403 CV     1
 ASSI {  763}
   (( segid " 1SG" and resid 61   and name HN  ))
   (( segid " 1SG" and resid 60   and name HN  ))
      4.300     2.300     1.700 peak   763 spectrum    1 weight  0.10000E+01 volume  0.13033E-02 ppm1      8.177 ppm2      8.689 CV     1
 ASSI {  764}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 74   and name HB2 ))
      2.700     0.900     0.900 peak   764 spectrum    1 weight  0.10000E+01 volume  0.13008E-02 ppm1      8.470 ppm2     -0.840 CV     1
 ASSI {  765}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 8    and name HA  ))
      3.600     1.600     1.600 peak   765 spectrum    1 weight  0.10000E+01 volume  0.13006E-02 ppm1      7.888 ppm2      4.174 CV     1
 ASSI {  767}
   (( segid " 1SG" and resid 91   and name HN  ))
   (( segid " 1SG" and resid 91   and name HB  ))
      3.200     1.300     1.300 peak   767 spectrum    1 weight  0.10000E+01 volume  0.12935E-02 ppm1      8.474 ppm2      1.131 CV     1
 ASSI {  770}
   (( segid " 1SG" and resid 102  and name HN  ))
   (( segid " 1SG" and resid 88   and name HA  ))
      3.600     1.600     1.600 peak   770 spectrum    1 weight  0.10000E+01 volume  0.12848E-02 ppm1      8.557 ppm2      5.305 CV     1
 ASSI {  771}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 57   and name HG  ))
      4.200     2.200     1.800 peak   771 spectrum    1 weight  0.10000E+01 volume  0.12841E-02 ppm1      7.198 ppm2      0.750 CV     1
 ASSI {  772}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 73   and name HA  ))
      3.100     1.200     1.200 peak   772 spectrum    1 weight  0.10000E+01 volume  0.12839E-02 ppm1      9.448 ppm2      5.466 CV     1
 ASSI {  774}
   (( segid " 1SG" and resid 12   and name HE21))
   (( segid " 1SG" and resid 12   and name HA  ))
      2.900     1.100     1.100 peak   774 spectrum    1 weight  0.10000E+01 volume  0.12822E-02 ppm1      7.451 ppm2      4.687 CV     1
 ASSI {  775}
   (( segid " 1SG" and resid 10   and name HN  ))
   (( segid " 1SG" and resid 10   and name HB2 ))
      3.700     1.700     1.700 peak   775 spectrum    1 weight  0.10000E+01 volume  0.12806E-02 ppm1      8.853 ppm2      1.250 CV     1
 ASSI {  776}
   (( segid " 1SG" and resid 102  and name HN  ))
   (( segid " 1SG" and resid 87   and name HN  ))
      3.100     1.200     1.200 peak   776 spectrum    1 weight  0.10000E+01 volume  0.12788E-02 ppm1      8.557 ppm2      9.117 CV     1
 ASSI {  777}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 94   and name HG2 ))
      3.400     1.400     1.400 peak   777 spectrum    1 weight  0.10000E+01 volume  0.12774E-02 ppm1      7.971 ppm2      1.402 CV     1
 OR {  777}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 94   and name HG1 ))
 ASSI {  778}
   (( segid " 1SG" and resid 75   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
      3.700     1.700     1.700 peak   778 spectrum    1 weight  0.10000E+01 volume  0.12754E-02 ppm1      9.152 ppm2      0.609 CV     1
 OR {  778}
   (( segid " 1SG" and resid 75   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI {  779}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 49   and name HA  ))
      3.000     1.100     1.100 peak   779 spectrum    1 weight  0.10000E+01 volume  0.12729E-02 ppm1      9.288 ppm2      3.859 CV     1
 ASSI {  782}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 76   and name HG12))
      3.900     1.900     1.900 peak   782 spectrum    1 weight  0.10000E+01 volume  0.12702E-02 ppm1      7.440 ppm2      1.105 CV     1
 ASSI {  783}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 56   and name HB2 ))
      3.600     1.600     1.600 peak   783 spectrum    1 weight  0.10000E+01 volume  0.12701E-02 ppm1      7.198 ppm2      3.101 CV     1
 ASSI {  790}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 104  and name HA  ))
      3.200     1.300     1.300 peak   790 spectrum    1 weight  0.10000E+01 volume  0.12565E-02 ppm1      8.792 ppm2      5.431 CV     1
 ASSI {  791}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 53   and name HN  ))
      3.800     1.800     1.800 peak   791 spectrum    1 weight  0.10000E+01 volume  0.12555E-02 ppm1      9.018 ppm2      6.764 CV     1
 ASSI {  792}
   (( segid " 1SG" and resid 104  and name HN  ))
   (  segid " 1SG" and resid 87   and name HE% )
      3.800     1.800     1.800 peak   792 spectrum    1 weight  0.10000E+01 volume  0.12544E-02 ppm1      8.791 ppm2      6.590 CV     1
 ASSI {  794}
   (( segid " 1SG" and resid 84   and name HN  ))
   (( segid " 1SG" and resid 85   and name HN  ))
      3.200     1.300     1.300 peak   794 spectrum    1 weight  0.10000E+01 volume  0.12514E-02 ppm1      7.865 ppm2      9.407 CV     1
 ASSI {  799}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (  segid " 1SG" and resid 39   and name HG2%)
      3.800     1.800     1.800 peak   799 spectrum    1 weight  0.10000E+01 volume  0.12395E-02 ppm1     10.779 ppm2     -0.462 CV     1
 ASSI {  802}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 103  and name HA  ))
      3.100     1.200     1.200 peak   802 spectrum    1 weight  0.10000E+01 volume  0.12323E-02 ppm1      9.242 ppm2      5.536 CV     1
 ASSI {  803}
   (( segid " 1SG" and resid 8    and name HN  ))
   (( segid " 1SG" and resid 8    and name HA  ))
      3.300     1.400     1.400 peak   803 spectrum    1 weight  0.10000E+01 volume  0.12261E-02 ppm1      9.052 ppm2      4.174 CV     1
 ASSI {  807}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 57   and name HG  ))
      4.000     2.000     2.000 peak   807 spectrum    1 weight  0.10000E+01 volume  0.12153E-02 ppm1      8.941 ppm2      0.750 CV     1
 ASSI {  808}
   (( segid " 1SG" and resid 80   and name HE22))
   (  segid " 1SG" and resid 18   and name HG1%)
      5.300     3.500     0.700 peak   808 spectrum    1 weight  0.10000E+01 volume  0.12147E-02 ppm1      6.644 ppm2      0.986 CV     1
 ASSI {  810}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 59   and name HA  ))
      3.800     1.800     1.800 peak   810 spectrum    1 weight  0.10000E+01 volume  0.12088E-02 ppm1      9.150 ppm2      5.181 CV     1
 ASSI {  811}
   (( segid " 1SG" and resid 93   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.200     1.300     1.300 peak   811 spectrum    1 weight  0.10000E+01 volume  0.12075E-02 ppm1      8.558 ppm2      0.475 CV     1
 ASSI {  812}
   (( segid " 1SG" and resid 19   and name HN  ))
   (( segid " 1SG" and resid 78   and name HA  ))
      3.200     1.300     1.300 peak   812 spectrum    1 weight  0.10000E+01 volume  0.12068E-02 ppm1      9.829 ppm2      4.106 CV     1
 ASSI {  813}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 38   and name HB  ))
      3.400     1.500     1.500 peak   813 spectrum    1 weight  0.10000E+01 volume  0.12053E-02 ppm1      8.735 ppm2      1.891 CV     1
 ASSI {  814}
   (( segid " 1SG" and resid 43   and name HN  ))
   (  segid " 1SG" and resid 49   and name HD1%)
      3.400     1.400     1.400 peak   814 spectrum    1 weight  0.10000E+01 volume  0.12051E-02 ppm1      8.631 ppm2      1.759 CV     1
 ASSI {  815}
   (( segid " 1SG" and resid 6    and name HN  ))
   (( segid " 1SG" and resid 5    and name HA2 ))
      3.300     1.300     1.300 peak   815 spectrum    1 weight  0.10000E+01 volume  0.12038E-02 ppm1      8.450 ppm2      3.861 CV     1
 OR {  815}
   (( segid " 1SG" and resid 6    and name HN  ))
   (( segid " 1SG" and resid 5    and name HA1 ))
 ASSI {  816}
   (( segid " 1SG" and resid 26   and name HN  ))
   (( segid " 1SG" and resid 72   and name HN  ))
      3.300     1.300     1.300 peak   816 spectrum    1 weight  0.10000E+01 volume  0.12021E-02 ppm1      9.497 ppm2      9.294 CV     1
 ASSI {  817}
   (( segid " 1SG" and resid 46   and name HN  ))
   (( segid " 1SG" and resid 45   and name HA  ))
      3.400     1.400     1.400 peak   817 spectrum    1 weight  0.10000E+01 volume  0.12019E-02 ppm1      8.215 ppm2      3.494 CV     1
 ASSI {  819}
   (( segid " 1SG" and resid 47   and name HN  ))
   (  segid " 1SG" and resid 42   and name HD% )
      3.500     1.600     1.600 peak   819 spectrum    1 weight  0.10000E+01 volume  0.11998E-02 ppm1      7.293 ppm2      6.695 CV     1
 ASSI {  822}
   (( segid " 1SG" and resid 29   and name HN  ))
   (( segid " 1SG" and resid 7    and name HA  ))
      4.000     2.000     2.000 peak   822 spectrum    1 weight  0.10000E+01 volume  0.11887E-02 ppm1      8.855 ppm2      4.626 CV     1
 ASSI {  823}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 74   and name HN  ))
      3.400     1.400     1.400 peak   823 spectrum    1 weight  0.10000E+01 volume  0.11883E-02 ppm1      9.240 ppm2      8.469 CV     1
 ASSI {  825}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 40   and name HG2 ))
      4.600     2.600     1.400 peak   825 spectrum    1 weight  0.10000E+01 volume  0.11871E-02 ppm1      9.308 ppm2      1.241 CV     1
 OR {  825}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 40   and name HG1 ))
 ASSI {  826}
   (( segid " 1SG" and resid 64   and name HN  ))
   (  segid " 1SG" and resid 69   and name HG2%)
      4.000     2.000     2.000 peak   826 spectrum    1 weight  0.10000E+01 volume  0.11861E-02 ppm1      7.752 ppm2      0.845 CV     1
 OR {  826}
   (( segid " 1SG" and resid 64   and name HN  ))
   (  segid " 1SG" and resid 69   and name HG1%)
 ASSI {  827}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 9    and name HN  ))
      3.300     1.400     1.400 peak   827 spectrum    1 weight  0.10000E+01 volume  0.11850E-02 ppm1      8.888 ppm2      7.891 CV     1
 ASSI {  828}
   (( segid " 1SG" and resid 58   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD1%)
      3.900     1.900     1.900 peak   828 spectrum    1 weight  0.10000E+01 volume  0.11835E-02 ppm1      8.945 ppm2      0.402 CV     1
 OR {  828}
   (( segid " 1SG" and resid 58   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD2%)
 ASSI {  829}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 42   and name HA  ))
      3.400     1.400     1.400 peak   829 spectrum    1 weight  0.10000E+01 volume  0.11823E-02 ppm1      9.289 ppm2      5.784 CV     1
 ASSI {  830}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 78   and name HB2 ))
      4.200     2.300     1.800 peak   830 spectrum    1 weight  0.10000E+01 volume  0.11791E-02 ppm1      8.973 ppm2      2.375 CV     1
 ASSI {  831}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB1 ))
      4.400     2.400     1.600 peak   831 spectrum    1 weight  0.10000E+01 volume  0.11791E-02 ppm1      8.941 ppm2      1.687 CV     1
 OR {  831}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB2 ))
 ASSI {  832}
   (( segid " 1SG" and resid 70   and name HN  ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      3.100     1.200     1.200 peak   832 spectrum    1 weight  0.10000E+01 volume  0.11782E-02 ppm1      9.273 ppm2      2.816 CV     1
 ASSI {  833}
   (( segid " 1SG" and resid 87   and name HN  ))
   (( segid " 1SG" and resid 87   and name HB2 ))
      3.000     1.100     1.100 peak   833 spectrum    1 weight  0.10000E+01 volume  0.11753E-02 ppm1      9.112 ppm2      0.700 CV     1
 ASSI {  838}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 64   and name HB2 ))
      4.200     2.200     1.800 peak   838 spectrum    1 weight  0.10000E+01 volume  0.11691E-02 ppm1      8.307 ppm2      2.338 CV     1
 ASSI {  839}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 90   and name HN  ))
      3.200     1.300     1.300 peak   839 spectrum    1 weight  0.10000E+01 volume  0.11678E-02 ppm1      8.694 ppm2      9.477 CV     1
 ASSI {  840}
   (( segid " 1SG" and resid 92   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG2%)
      4.200     2.200     1.800 peak   840 spectrum    1 weight  0.10000E+01 volume  0.11667E-02 ppm1      8.735 ppm2     -0.459 CV     1
 ASSI {  843}
   (( segid " 1SG" and resid 7    and name HN  ))
   (( segid " 1SG" and resid 7    and name HB2 ))
      3.100     1.200     1.200 peak   843 spectrum    1 weight  0.10000E+01 volume  0.11620E-02 ppm1      8.878 ppm2      2.581 CV     1
 ASSI {  844}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 69   and name HN  ))
      4.100     2.100     1.900 peak   844 spectrum    1 weight  0.10000E+01 volume  0.11606E-02 ppm1      7.422 ppm2      6.897 CV     1
 ASSI {  847}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 4    and name HN  ))
      3.700     1.700     1.700 peak   847 spectrum    1 weight  0.10000E+01 volume  0.11556E-02 ppm1      8.112 ppm2      8.269 CV     1
 ASSI {  848}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 39   and name HB  ))
      3.800     1.800     1.800 peak   848 spectrum    1 weight  0.10000E+01 volume  0.11524E-02 ppm1      8.696 ppm2      0.582 CV     1
 ASSI {  852}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 71   and name HA  ))
      3.100     1.200     1.200 peak   852 spectrum    1 weight  0.10000E+01 volume  0.11425E-02 ppm1      8.722 ppm2      5.068 CV     1
 ASSI {  853}
   (( segid " 1SG" and resid 31   and name HN  ))
   (( segid " 1SG" and resid 30   and name HN  ))
      3.100     1.200     1.200 peak   853 spectrum    1 weight  0.10000E+01 volume  0.11422E-02 ppm1      8.414 ppm2      8.590 CV     1
 ASSI {  854}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 80   and name HN  ))
      4.100     2.100     1.900 peak   854 spectrum    1 weight  0.10000E+01 volume  0.11413E-02 ppm1      8.971 ppm2      5.576 CV     1
 ASSI {  859}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 41   and name HA  ))
      3.200     1.300     1.300 peak   859 spectrum    1 weight  0.10000E+01 volume  0.11324E-02 ppm1      9.309 ppm2      5.470 CV     1
 ASSI {  860}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 73   and name HB2 ))
      3.300     1.400     1.400 peak   860 spectrum    1 weight  0.10000E+01 volume  0.11298E-02 ppm1      9.449 ppm2      1.556 CV     1
 ASSI {  861}
   (( segid " 1SG" and resid 20   and name HN  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      2.700     2.700     3.300 peak   861 spectrum    1 weight  0.10000E+01 volume  0.11287E-02 ppm1      8.825 ppm2      1.280 CV     1
 ASSI {  863}
   (( segid " 1SG" and resid 16   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      4.200     2.200     1.800 peak   863 spectrum    1 weight  0.10000E+01 volume  0.11267E-02 ppm1      8.593 ppm2      0.375 CV     1
 ASSI {  864}
   (( segid " 1SG" and resid 26   and name HN  ))
   (( segid " 1SG" and resid 73   and name HA  ))
      3.500     1.600     1.600 peak   864 spectrum    1 weight  0.10000E+01 volume  0.11243E-02 ppm1      9.497 ppm2      5.471 CV     1
 ASSI {  865}
   (( segid " 1SG" and resid 46   and name HN  ))
   (  segid " 1SG" and resid 47   and name HG1%)
      4.600     2.700     1.400 peak   865 spectrum    1 weight  0.10000E+01 volume  0.11238E-02 ppm1      8.216 ppm2      0.967 CV     1
 ASSI {  866}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 46   and name HA  ))
      3.600     1.600     1.600 peak   866 spectrum    1 weight  0.10000E+01 volume  0.11222E-02 ppm1      7.291 ppm2      4.989 CV     1
 ASSI {  872}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 52   and name HB2 ))
      2.600     0.900     0.900 peak   872 spectrum    1 weight  0.10000E+01 volume  0.11158E-02 ppm1      6.764 ppm2      1.716 CV     1
 ASSI {  873}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 76   and name HG12))
      4.200     2.200     1.800 peak   873 spectrum    1 weight  0.10000E+01 volume  0.11149E-02 ppm1      7.198 ppm2      1.092 CV     1
 ASSI {  874}
   (( segid " 1SG" and resid 71   and name HN  ))
   (  segid " 1SG" and resid 63   and name HD% )
      2.700     2.700     3.300 peak   874 spectrum    1 weight  0.10000E+01 volume  0.11122E-02 ppm1      8.724 ppm2      5.900 CV     1
 ASSI {  875}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 104  and name HB2 ))
      3.900     1.900     1.900 peak   875 spectrum    1 weight  0.10000E+01 volume  0.11115E-02 ppm1      8.793 ppm2      1.229 CV     1
 ASSI {  877}
   (( segid " 1SG" and resid 24   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD2%)
      4.500     2.500     1.500 peak   877 spectrum    1 weight  0.10000E+01 volume  0.11087E-02 ppm1      9.239 ppm2      0.410 CV     1
 OR {  877}
   (( segid " 1SG" and resid 24   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI {  879}
   (( segid " 1SG" and resid 96   and name HN  ))
   (  segid " 1SG" and resid 93   and name HG2%)
      2.700     2.700     3.300 peak   879 spectrum    1 weight  0.10000E+01 volume  0.11055E-02 ppm1      7.548 ppm2      1.025 CV     1
 ASSI {  880}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 78   and name HA  ))
      3.400     1.400     1.400 peak   880 spectrum    1 weight  0.10000E+01 volume  0.11046E-02 ppm1      8.826 ppm2      4.088 CV     1
 ASSI {  881}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 41   and name HB2 ))
      2.900     1.100     1.100 peak   881 spectrum    1 weight  0.10000E+01 volume  0.11037E-02 ppm1      9.312 ppm2      3.155 CV     1
 ASSI {  885}
   (( segid " 1SG" and resid 86   and name HN  ))
   (( segid " 1SG" and resid 87   and name HN  ))
      3.600     1.600     1.600 peak   885 spectrum    1 weight  0.10000E+01 volume  0.10974E-02 ppm1      7.947 ppm2      9.112 CV     1
 ASSI {  886}
   (( segid " 1SG" and resid 24   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
      4.900     3.000     1.100 peak   886 spectrum    1 weight  0.10000E+01 volume  0.10966E-02 ppm1      9.239 ppm2      0.619 CV     1
 OR {  886}
   (( segid " 1SG" and resid 24   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI {  888}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 105  and name HA  ))
      3.300     1.300     1.300 peak   888 spectrum    1 weight  0.10000E+01 volume  0.10948E-02 ppm1      8.397 ppm2      4.536 CV     1
 ASSI {  889}
   (( segid " 1SG" and resid 58   and name HE22))
   (  segid " 1SG" and resid 77   and name HG2%)
      3.500     1.500     1.500 peak   889 spectrum    1 weight  0.10000E+01 volume  0.10915E-02 ppm1      6.684 ppm2      1.034 CV     1
 ASSI {  890}
   (( segid " 1SG" and resid 58   and name HN  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      3.900     1.900     1.900 peak   890 spectrum    1 weight  0.10000E+01 volume  0.10906E-02 ppm1      8.939 ppm2      1.056 CV     1
 ASSI {  891}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 38   and name HN  ))
      3.900     1.900     1.900 peak   891 spectrum    1 weight  0.10000E+01 volume  0.10893E-02 ppm1      7.893 ppm2      8.374 CV     1
 ASSI {  892}
   (( segid " 1SG" and resid 14   and name HN  ))
   (  segid " 1SG" and resid 22   and name HD1%)
      4.200     2.200     1.800 peak   892 spectrum    1 weight  0.10000E+01 volume  0.10888E-02 ppm1      9.186 ppm2      0.528 CV     1
 ASSI {  894}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 28   and name HA  ))
      3.200     1.300     1.300 peak   894 spectrum    1 weight  0.10000E+01 volume  0.10860E-02 ppm1      9.673 ppm2      4.901 CV     1
 ASSI {  896}
   (( segid " 1SG" and resid 98   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.600     1.600     1.600 peak   896 spectrum    1 weight  0.10000E+01 volume  0.10856E-02 ppm1      8.417 ppm2      0.476 CV     1
 ASSI {  897}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 45   and name HA  ))
      4.400     2.500     1.600 peak   897 spectrum    1 weight  0.10000E+01 volume  0.10851E-02 ppm1      7.291 ppm2      3.498 CV     1
 ASSI {  899}
   (( segid " 1SG" and resid 80   and name HE21))
   (  segid " 1SG" and resid 18   and name HG1%)
      4.700     2.700     1.300 peak   899 spectrum    1 weight  0.10000E+01 volume  0.10840E-02 ppm1      6.984 ppm2      0.990 CV     1
 ASSI {  900}
   (( segid " 1SG" and resid 85   and name HN  ))
   (  segid " 1SG" and resid 87   and name HE% )
      4.000     2.000     2.000 peak   900 spectrum    1 weight  0.10000E+01 volume  0.10834E-02 ppm1      9.408 ppm2      6.590 CV     1
 ASSI {  902}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 14   and name HN  ))
      4.000     2.000     2.000 peak   902 spectrum    1 weight  0.10000E+01 volume  0.10824E-02 ppm1      8.503 ppm2      9.185 CV     1
 ASSI {  905}
   (( segid " 1SG" and resid 8    and name HN  ))
   (( segid " 1SG" and resid 28   and name HA  ))
      3.300     1.400     1.400 peak   905 spectrum    1 weight  0.10000E+01 volume  0.10791E-02 ppm1      9.051 ppm2      4.900 CV     1
 ASSI {  906}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 61   and name HN  ))
      4.000     2.000     2.000 peak   906 spectrum    1 weight  0.10000E+01 volume  0.10779E-02 ppm1      8.846 ppm2      8.182 CV     1
 ASSI {  907}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 68   and name HG2 ))
      3.900     1.900     1.900 peak   907 spectrum    1 weight  0.10000E+01 volume  0.10778E-02 ppm1      6.897 ppm2      1.262 CV     1
 OR {  907}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 68   and name HG1 ))
 ASSI {  911}
   (( segid " 1SG" and resid 7    and name HN  ))
   (( segid " 1SG" and resid 7    and name HA  ))
      3.500     1.500     1.500 peak   911 spectrum    1 weight  0.10000E+01 volume  0.10699E-02 ppm1      8.874 ppm2      4.632 CV     1
 ASSI {  913}
   (( segid " 1SG" and resid 100  and name HN  ))
   (( segid " 1SG" and resid 90   and name HB2 ))
      2.800     2.800     3.200 peak   913 spectrum    1 weight  0.10000E+01 volume  0.10667E-02 ppm1      8.888 ppm2      2.040 CV     1
 ASSI {  914}
   (( segid " 1SG" and resid 100  and name HN  ))
   (( segid " 1SG" and resid 99   and name HB2 ))
      3.600     1.600     1.600 peak   914 spectrum    1 weight  0.10000E+01 volume  0.10641E-02 ppm1      8.896 ppm2      2.735 CV     1
 ASSI {  915}
   (( segid " 1SG" and resid 68   and name HN  ))
   (( segid " 1SG" and resid 67   and name HB2 ))
      3.800     1.900     1.900 peak   915 spectrum    1 weight  0.10000E+01 volume  0.10613E-02 ppm1      7.872 ppm2      3.727 CV     1
 OR {  915}
   (( segid " 1SG" and resid 68   and name HN  ))
   (( segid " 1SG" and resid 67   and name HB1 ))
 ASSI {  916}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 36   and name HD2 ))
      4.300     2.300     1.700 peak   916 spectrum    1 weight  0.10000E+01 volume  0.10596E-02 ppm1      7.511 ppm2      3.495 CV     1
 ASSI {  919}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 103  and name HD22))
      3.600     1.600     1.600 peak   919 spectrum    1 weight  0.10000E+01 volume  0.10560E-02 ppm1      9.241 ppm2      6.759 CV     1
 ASSI {  920}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 16   and name HN  ))
      3.900     1.900     1.900 peak   920 spectrum    1 weight  0.10000E+01 volume  0.10558E-02 ppm1      8.401 ppm2      8.591 CV     1
 ASSI {  922}
   (( segid " 1SG" and resid 84   and name HN  ))
   (( segid " 1SG" and resid 106  and name HB  ))
      4.100     2.100     1.900 peak   922 spectrum    1 weight  0.10000E+01 volume  0.10532E-02 ppm1      7.867 ppm2      1.848 CV     1
 ASSI {  929}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 62   and name HB2 ))
      3.200     1.200     1.200 peak   929 spectrum    1 weight  0.10000E+01 volume  0.10469E-02 ppm1      8.847 ppm2      3.809 CV     1
 ASSI {  930}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 43   and name HN  ))
      3.400     1.400     1.400 peak   930 spectrum    1 weight  0.10000E+01 volume  0.10460E-02 ppm1      7.291 ppm2      8.632 CV     1
 ASSI {  931}
   (( segid " 1SG" and resid 59   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
      3.600     1.600     1.600 peak   931 spectrum    1 weight  0.10000E+01 volume  0.10457E-02 ppm1      8.380 ppm2      0.601 CV     1
 OR {  931}
   (( segid " 1SG" and resid 59   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI {  939}
   (( segid " 1SG" and resid 84   and name HN  ))
   (( segid " 1SG" and resid 81   and name HA  ))
      5.200     3.400     0.800 peak   939 spectrum    1 weight  0.10000E+01 volume  0.10376E-02 ppm1      7.866 ppm2      3.996 CV     1
 ASSI {  940}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 96   and name HG1 ))
      3.100     1.200     1.200 peak   940 spectrum    1 weight  0.10000E+01 volume  0.10375E-02 ppm1      8.106 ppm2      1.324 CV     1
 OR {  940}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 96   and name HG2 ))
 ASSI {  941}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 25   and name HA  ))
      3.600     1.600     1.600 peak   941 spectrum    1 weight  0.10000E+01 volume  0.10367E-02 ppm1      8.472 ppm2      5.686 CV     1
 ASSI {  943}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 43   and name HG2 ))
      3.400     1.400     1.400 peak   943 spectrum    1 weight  0.10000E+01 volume  0.10307E-02 ppm1      8.211 ppm2      0.071 CV     1
 ASSI {  944}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 59   and name HN  ))
      3.700     1.700     1.700 peak   944 spectrum    1 weight  0.10000E+01 volume  0.10247E-02 ppm1      8.685 ppm2      8.389 CV     1
 ASSI {  946}
   (( segid " 1SG" and resid 90   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG2%)
      4.500     2.500     1.500 peak   946 spectrum    1 weight  0.10000E+01 volume  0.10180E-02 ppm1      9.489 ppm2     -0.473 CV     1
 ASSI {  947}
   (( segid " 1SG" and resid 23   and name HN  ))
   (( segid " 1SG" and resid 22   and name HN  ))
      4.000     2.000     2.000 peak   947 spectrum    1 weight  0.10000E+01 volume  0.10157E-02 ppm1      7.911 ppm2      8.899 CV     1
 ASSI {  951}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 73   and name HB2 ))
      4.000     2.000     2.000 peak   951 spectrum    1 weight  0.10000E+01 volume  0.10100E-02 ppm1      8.467 ppm2      1.552 CV     1
 ASSI {  952}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 72   and name HB2 ))
      4.100     2.100     1.900 peak   952 spectrum    1 weight  0.10000E+01 volume  0.10089E-02 ppm1      8.896 ppm2      2.884 CV     1
 ASSI {  953}
   (( segid " 1SG" and resid 82   and name HN  ))
   (( segid " 1SG" and resid 82   and name HA  ))
      3.500     1.600     1.600 peak   953 spectrum    1 weight  0.10000E+01 volume  0.10084E-02 ppm1      8.017 ppm2      4.202 CV     1
 ASSI {  955}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 91   and name HB  ))
      4.100     2.100     1.900 peak   955 spectrum    1 weight  0.10000E+01 volume  0.10073E-02 ppm1      8.733 ppm2      1.128 CV     1
 ASSI {  958}
   (( segid " 1SG" and resid 18   and name HN  ))
   (( segid " 1SG" and resid 19   and name HN  ))
      4.000     2.000     2.000 peak   958 spectrum    1 weight  0.10000E+01 volume  0.10013E-02 ppm1      8.005 ppm2      9.828 CV     1
 ASSI {  963}
   (( segid " 1SG" and resid 72   and name HN  ))
   (( segid " 1SG" and resid 72   and name HA  ))
      3.100     1.200     1.200 peak   963 spectrum    1 weight  0.10000E+01 volume  0.99642E-03 ppm1      9.295 ppm2      5.368 CV     1
 ASSI {  964}
   (( segid " 1SG" and resid 87   and name HN  ))
   (( segid " 1SG" and resid 87   and name HA  ))
      3.300     1.400     1.400 peak   964 spectrum    1 weight  0.10000E+01 volume  0.99497E-03 ppm1      9.110 ppm2      4.975 CV     1
 ASSI {  967}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 17   and name HN  ))
      4.100     2.100     1.900 peak   967 spectrum    1 weight  0.10000E+01 volume  0.99122E-03 ppm1      8.592 ppm2      7.900 CV     1
 ASSI {  968}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 40   and name HN  ))
      3.900     1.900     1.900 peak   968 spectrum    1 weight  0.10000E+01 volume  0.98860E-03 ppm1      7.893 ppm2      8.706 CV     1
 ASSI {  971}
   (( segid " 1SG" and resid 33   and name HN  ))
   (  segid " 1SG" and resid 33   and name HD2%)
      3.500     1.500     1.500 peak   971 spectrum    1 weight  0.10000E+01 volume  0.98565E-03 ppm1      7.611 ppm2      0.876 CV     1
 OR {  971}
   (( segid " 1SG" and resid 33   and name HN  ))
   (  segid " 1SG" and resid 33   and name HD1%)
 ASSI {  972}
   (( segid " 1SG" and resid 72   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD2%)
      4.700     2.800     1.300 peak   972 spectrum    1 weight  0.10000E+01 volume  0.98533E-03 ppm1      9.295 ppm2      0.738 CV     1
 ASSI {  973}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 104  and name HG  ))
      3.400     1.400     1.400 peak   973 spectrum    1 weight  0.10000E+01 volume  0.98501E-03 ppm1      8.401 ppm2      1.329 CV     1
 ASSI {  975}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 42   and name HN  ))
      3.300     1.300     1.300 peak   975 spectrum    1 weight  0.10000E+01 volume  0.98260E-03 ppm1      9.108 ppm2      9.450 CV     1
 ASSI {  976}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 74   and name HB2 ))
      4.000     2.000     2.000 peak   976 spectrum    1 weight  0.10000E+01 volume  0.98083E-03 ppm1      9.150 ppm2     -0.838 CV     1
 ASSI {  977}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 87   and name HB2 ))
      4.100     2.100     1.900 peak   977 spectrum    1 weight  0.10000E+01 volume  0.97579E-03 ppm1      9.107 ppm2      0.710 CV     1
 ASSI {  979}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 46   and name HB2 ))
      3.800     1.800     1.800 peak   979 spectrum    1 weight  0.10000E+01 volume  0.97113E-03 ppm1      7.292 ppm2      3.055 CV     1
 ASSI {  980}
   (( segid " 1SG" and resid 10   and name HN  ))
   (( segid " 1SG" and resid 9    and name HG2 ))
      3.800     1.800     1.800 peak   980 spectrum    1 weight  0.10000E+01 volume  0.97092E-03 ppm1      8.851 ppm2      2.507 CV     1
 ASSI {  984}
   (( segid " 1SG" and resid 107  and name HN  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      4.600     2.600     1.400 peak   984 spectrum    1 weight  0.10000E+01 volume  0.96352E-03 ppm1      8.820 ppm2      1.285 CV     1
 ASSI {  990}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 77   and name HN  ))
      4.100     2.100     1.900 peak   990 spectrum    1 weight  0.10000E+01 volume  0.95682E-03 ppm1      8.053 ppm2      8.718 CV     1
 ASSI {  991}
   (( segid " 1SG" and resid 97   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.900     1.900     1.900 peak   991 spectrum    1 weight  0.10000E+01 volume  0.95645E-03 ppm1      8.063 ppm2      0.474 CV     1
 ASSI {  992}
   (( segid " 1SG" and resid 90   and name HN  ))
   (( segid " 1SG" and resid 90   and name HB2 ))
      3.400     1.400     1.400 peak   992 spectrum    1 weight  0.10000E+01 volume  0.95607E-03 ppm1      9.489 ppm2      2.034 CV     1
 ASSI {  994}
   (( segid " 1SG" and resid 22   and name HN  ))
   (  segid " 1SG" and resid 77   and name HG2%)
      3.900     1.900     1.900 peak   994 spectrum    1 weight  0.10000E+01 volume  0.95350E-03 ppm1      8.888 ppm2      1.018 CV     1
 ASSI {  996}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 43   and name HB2 ))
      3.600     1.600     1.600 peak   996 spectrum    1 weight  0.10000E+01 volume  0.95189E-03 ppm1      8.628 ppm2      1.216 CV     1
 ASSI {  997}
   (( segid " 1SG" and resid 20   and name HN  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      3.500     1.600     1.600 peak   997 spectrum    1 weight  0.10000E+01 volume  0.95093E-03 ppm1      8.825 ppm2      0.602 CV     1
 ASSI {  998}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 18   and name HA  ))
      3.900     1.900     1.900 peak   998 spectrum    1 weight  0.10000E+01 volume  0.94423E-03 ppm1      8.973 ppm2      3.481 CV     1
 ASSI { 1001}
   (( segid " 1SG" and resid 28   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG2%)
      4.100     2.100     1.900 peak  1001 spectrum    1 weight  0.10000E+01 volume  0.94086E-03 ppm1      9.673 ppm2      0.941 CV     1
 OR { 1001}
   (( segid " 1SG" and resid 28   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG1%)
 ASSI { 1002}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 2    and name HA  ))
      3.700     1.700     1.700 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.93941E-03 ppm1      8.264 ppm2      4.901 CV     1
 ASSI { 1003}
   (( segid " 1SG" and resid 105  and name HN  ))
   (  segid " 1SG" and resid 104  and name HD2%)
      4.500     2.500     1.500 peak  1003 spectrum    1 weight  0.10000E+01 volume  0.93196E-03 ppm1      8.399 ppm2      0.818 CV     1
 ASSI { 1004}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 57   and name HG  ))
      3.700     1.700     1.700 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.93127E-03 ppm1      6.764 ppm2      0.753 CV     1
 ASSI { 1008}
   (( segid " 1SG" and resid 78   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      4.400     2.400     1.600 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.92859E-03 ppm1      8.053 ppm2      1.176 CV     1
 ASSI { 1009}
   (( segid " 1SG" and resid 27   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG2%)
      4.600     2.600     1.400 peak  1009 spectrum    1 weight  0.10000E+01 volume  0.92843E-03 ppm1      8.893 ppm2      0.948 CV     1
 OR { 1009}
   (( segid " 1SG" and resid 27   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG1%)
 ASSI { 1013}
   (( segid " 1SG" and resid 46   and name HN  ))
   (( segid " 1SG" and resid 46   and name HA  ))
      3.400     1.400     1.400 peak  1013 spectrum    1 weight  0.10000E+01 volume  0.92628E-03 ppm1      8.217 ppm2      4.976 CV     1
 ASSI { 1014}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 21   and name HN  ))
      4.100     2.100     1.900 peak  1014 spectrum    1 weight  0.10000E+01 volume  0.92575E-03 ppm1      8.891 ppm2      8.169 CV     1
 ASSI { 1015}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 74   and name HA  ))
      3.200     1.300     1.300 peak  1015 spectrum    1 weight  0.10000E+01 volume  0.92521E-03 ppm1      8.470 ppm2      4.333 CV     1
 ASSI { 1016}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (  segid " 1SG" and resid 47   and name HG1%)
      3.800     1.800     1.800 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.92377E-03 ppm1     10.115 ppm2      0.962 CV     1
 ASSI { 1017}
   (( segid " 1SG" and resid 38   and name HN  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      3.500     1.500     1.500 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.92071E-03 ppm1      8.375 ppm2      0.173 CV     1
 ASSI { 1018}
   (( segid " 1SG" and resid 98   and name HN  ))
   (  segid " 1SG" and resid 97   and name HD% )
      3.600     1.600     1.600 peak  1018 spectrum    1 weight  0.10000E+01 volume  0.91868E-03 ppm1      8.417 ppm2      7.087 CV     1
 ASSI { 1019}
   (( segid " 1SG" and resid 104  and name HN  ))
   (  segid " 1SG" and resid 104  and name HD2%)
      4.200     2.200     1.800 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.91594E-03 ppm1      8.795 ppm2      0.813 CV     1
 ASSI { 1020}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 57   and name HN  ))
      3.200     1.200     1.200 peak  1020 spectrum    1 weight  0.10000E+01 volume  0.91535E-03 ppm1      7.433 ppm2      7.207 CV     1
 ASSI { 1022}
   (( segid " 1SG" and resid 101  and name HN  ))
   (( segid " 1SG" and resid 101  and name HB2 ))
      4.200     2.200     1.800 peak  1022 spectrum    1 weight  0.10000E+01 volume  0.91359E-03 ppm1      9.044 ppm2      2.699 CV     1
 ASSI { 1026}
   (( segid " 1SG" and resid 91   and name HN  ))
   (( segid " 1SG" and resid 99   and name HA  ))
      3.900     1.900     1.900 peak  1026 spectrum    1 weight  0.10000E+01 volume  0.90860E-03 ppm1      8.474 ppm2      5.702 CV     1
 ASSI { 1027}
   (( segid " 1SG" and resid 18   and name HN  ))
   (( segid " 1SG" and resid 107  and name HB1 ))
      4.300     2.300     1.700 peak  1027 spectrum    1 weight  0.10000E+01 volume  0.90801E-03 ppm1      8.006 ppm2      3.075 CV     1
 OR { 1027}
   (( segid " 1SG" and resid 18   and name HN  ))
   (( segid " 1SG" and resid 107  and name HB2 ))
 ASSI { 1028}
   (( segid " 1SG" and resid 12   and name HN  ))
   (( segid " 1SG" and resid 11   and name HB2 ))
      3.500     1.500     1.500 peak  1028 spectrum    1 weight  0.10000E+01 volume  0.90630E-03 ppm1      8.345 ppm2      0.920 CV     1
 ASSI { 1029}
   (( segid " 1SG" and resid 42   and name HN  ))
   (( segid " 1SG" and resid 42   and name HB2 ))
      3.600     1.600     1.600 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.90619E-03 ppm1      9.448 ppm2      2.466 CV     1
 ASSI { 1031}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 70   and name HN  ))
      4.100     2.100     1.900 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.90491E-03 ppm1      6.898 ppm2      9.268 CV     1
 ASSI { 1035}
   (( segid " 1SG" and resid 84   and name HN  ))
   (( segid " 1SG" and resid 106  and name HN  ))
      3.800     1.800     1.800 peak  1035 spectrum    1 weight  0.10000E+01 volume  0.89955E-03 ppm1      7.865 ppm2      8.160 CV     1
 ASSI { 1036}
   (( segid " 1SG" and resid 51   and name HN  ))
   (( segid " 1SG" and resid 49   and name HA  ))
      3.700     1.700     1.700 peak  1036 spectrum    1 weight  0.10000E+01 volume  0.89687E-03 ppm1      7.877 ppm2      3.864 CV     1
 ASSI { 1039}
   (( segid " 1SG" and resid 65   and name HN  ))
   (  segid " 1SG" and resid 66   and name HB% )
      4.700     2.700     1.300 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.89290E-03 ppm1      8.306 ppm2      1.408 CV     1
 ASSI { 1040}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      4.300     2.300     1.700 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.89221E-03 ppm1      8.721 ppm2      2.808 CV     1
 ASSI { 1041}
   (( segid " 1SG" and resid 70   and name HN  ))
   (( segid " 1SG" and resid 69   and name HB  ))
      4.000     2.000     2.000 peak  1041 spectrum    1 weight  0.10000E+01 volume  0.88953E-03 ppm1      9.274 ppm2      1.751 CV     1
 ASSI { 1042}
   (( segid " 1SG" and resid 84   and name HN  ))
   (( segid " 1SG" and resid 83   and name HB2 ))
      3.700     1.700     1.700 peak  1042 spectrum    1 weight  0.10000E+01 volume  0.88910E-03 ppm1      7.868 ppm2      3.172 CV     1
 ASSI { 1043}
   (( segid " 1SG" and resid 30   and name HN  ))
   (  segid " 1SG" and resid 70   and name HD% )
      3.800     1.800     1.800 peak  1043 spectrum    1 weight  0.10000E+01 volume  0.88781E-03 ppm1      8.592 ppm2      7.062 CV     1
 ASSI { 1045}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 81   and name HA  ))
      4.000     2.000     2.000 peak  1045 spectrum    1 weight  0.10000E+01 volume  0.88304E-03 ppm1      8.255 ppm2      3.992 CV     1
 ASSI { 1046}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 99   and name HA  ))
      3.500     1.500     1.500 peak  1046 spectrum    1 weight  0.10000E+01 volume  0.87978E-03 ppm1      9.230 ppm2      5.702 CV     1
 ASSI { 1047}
   (( segid " 1SG" and resid 84   and name HN  ))
   (  segid " 1SG" and resid 104  and name HD2%)
      3.800     1.800     1.800 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.87946E-03 ppm1      7.867 ppm2      0.812 CV     1
 ASSI { 1049}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 54   and name HN  ))
      3.500     1.500     1.500 peak  1049 spectrum    1 weight  0.10000E+01 volume  0.87672E-03 ppm1      7.434 ppm2      9.012 CV     1
 ASSI { 1051}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 19   and name HA1 ))
      4.600     2.600     1.400 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.87485E-03 ppm1      8.051 ppm2      4.254 CV     1
 ASSI { 1052}
   (( segid " 1SG" and resid 46   and name HN  ))
   (( segid " 1SG" and resid 46   and name HB2 ))
      4.000     2.000     2.000 peak  1052 spectrum    1 weight  0.10000E+01 volume  0.87340E-03 ppm1      8.216 ppm2      3.056 CV     1
 ASSI { 1054}
   (( segid " 1SG" and resid 62   and name HN  ))
   (  segid " 1SG" and resid 72   and name HD% )
      4.200     2.200     1.800 peak  1054 spectrum    1 weight  0.10000E+01 volume  0.87067E-03 ppm1      8.848 ppm2      7.306 CV     1
 ASSI { 1055}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HD2 ))
      4.400     2.400     1.600 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.87019E-03 ppm1      8.305 ppm2      3.228 CV     1
 OR { 1055}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HD1 ))
 ASSI { 1057}
   (( segid " 1SG" and resid 72   and name HN  ))
   (  segid " 1SG" and resid 26   and name HB% )
      3.800     1.800     1.800 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.86836E-03 ppm1      9.293 ppm2      1.455 CV     1
 ASSI { 1059}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 23   and name HB  ))
      4.300     2.300     1.700 peak  1059 spectrum    1 weight  0.10000E+01 volume  0.86477E-03 ppm1      9.239 ppm2      3.585 CV     1
 ASSI { 1060}
   (( segid " 1SG" and resid 70   and name HN  ))
   (( segid " 1SG" and resid 28   and name HN  ))
      3.400     1.400     1.400 peak  1060 spectrum    1 weight  0.10000E+01 volume  0.86440E-03 ppm1      9.269 ppm2      9.678 CV     1
 ASSI { 1061}
   (( segid " 1SG" and resid 46   and name HN  ))
   (( segid " 1SG" and resid 45   and name HB2 ))
      3.600     1.700     1.700 peak  1061 spectrum    1 weight  0.10000E+01 volume  0.86322E-03 ppm1      8.213 ppm2      0.596 CV     1
 OR { 1061}
   (( segid " 1SG" and resid 46   and name HN  ))
   (( segid " 1SG" and resid 45   and name HG2 ))
 ASSI { 1062}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 74   and name HA  ))
      3.500     1.500     1.500 peak  1062 spectrum    1 weight  0.10000E+01 volume  0.86199E-03 ppm1      8.687 ppm2      4.333 CV     1
 ASSI { 1064}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 48   and name HN  ))
      4.300     2.300     1.700 peak  1064 spectrum    1 weight  0.10000E+01 volume  0.85899E-03 ppm1      7.293 ppm2      8.400 CV     1
 ASSI { 1065}
   (( segid " 1SG" and resid 85   and name HN  ))
   (( segid " 1SG" and resid 104  and name HG  ))
      3.700     1.700     1.700 peak  1065 spectrum    1 weight  0.10000E+01 volume  0.85738E-03 ppm1      9.407 ppm2      1.334 CV     1
 ASSI { 1071}
   (( segid " 1SG" and resid 7    and name HN  ))
   (( segid " 1SG" and resid 6    and name HA  ))
      3.500     1.500     1.500 peak  1071 spectrum    1 weight  0.10000E+01 volume  0.85036E-03 ppm1      8.878 ppm2      4.443 CV     1
 ASSI { 1077}
   (( segid " 1SG" and resid 62   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD2%)
      4.400     2.500     1.600 peak  1077 spectrum    1 weight  0.10000E+01 volume  0.84082E-03 ppm1      8.848 ppm2      0.735 CV     1
 ASSI { 1078}
   (( segid " 1SG" and resid 72   and name HN  ))
   (( segid " 1SG" and resid 27   and name HA  ))
      3.800     1.800     1.800 peak  1078 spectrum    1 weight  0.10000E+01 volume  0.84018E-03 ppm1      9.296 ppm2      5.831 CV     1
 ASSI { 1079}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 67   and name HB2 ))
      3.800     1.800     1.800 peak  1079 spectrum    1 weight  0.10000E+01 volume  0.83890E-03 ppm1      6.900 ppm2      3.732 CV     1
 OR { 1079}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 67   and name HB1 ))
 ASSI { 1080}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 55   and name HA  ))
      3.500     1.500     1.500 peak  1080 spectrum    1 weight  0.10000E+01 volume  0.83809E-03 ppm1      7.434 ppm2      3.988 CV     1
 ASSI { 1081}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 105  and name HB  ))
      4.100     2.100     1.900 peak  1081 spectrum    1 weight  0.10000E+01 volume  0.83772E-03 ppm1      8.593 ppm2      3.930 CV     1
 ASSI { 1082}
   (( segid " 1SG" and resid 77   and name HN  ))
   (( segid " 1SG" and resid 76   and name HB  ))
      4.100     2.100     1.900 peak  1082 spectrum    1 weight  0.10000E+01 volume  0.83745E-03 ppm1      8.711 ppm2      1.910 CV     1
 ASSI { 1083}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 21   and name HA  ))
      3.800     1.800     1.800 peak  1083 spectrum    1 weight  0.10000E+01 volume  0.83681E-03 ppm1      8.972 ppm2      5.495 CV     1
 ASSI { 1084}
   (( segid " 1SG" and resid 80   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      3.900     1.900     1.900 peak  1084 spectrum    1 weight  0.10000E+01 volume  0.83654E-03 ppm1      5.579 ppm2      1.174 CV     1
 ASSI { 1088}
   (( segid " 1SG" and resid 85   and name HN  ))
   (  segid " 1SG" and resid 104  and name HD2%)
      3.300     1.400     1.400 peak  1088 spectrum    1 weight  0.10000E+01 volume  0.83348E-03 ppm1      9.407 ppm2      0.814 CV     1
 ASSI { 1092}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 72   and name HB2 ))
      4.300     2.300     1.700 peak  1092 spectrum    1 weight  0.10000E+01 volume  0.82877E-03 ppm1      9.451 ppm2      2.893 CV     1
 ASSI { 1095}
   (( segid " 1SG" and resid 90   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG1%)
      2.800     1.000     1.000 peak  1095 spectrum    1 weight  0.10000E+01 volume  0.38563E-02 ppm1      9.489 ppm2     -0.081 CV     1
 ASSI { 1101}
   (( segid " 1SG" and resid 43   and name HN  ))
   (  segid " 1SG" and resid 42   and name HD% )
      3.500     1.600     1.600 peak  1101 spectrum    1 weight  0.10000E+01 volume  0.81553E-03 ppm1      8.628 ppm2      6.700 CV     1
 ASSI { 1102}
   (( segid " 1SG" and resid 93   and name HN  ))
   (( segid " 1SG" and resid 92   and name HN  ))
      4.000     2.000     2.000 peak  1102 spectrum    1 weight  0.10000E+01 volume  0.81500E-03 ppm1      8.556 ppm2      8.734 CV     1
 ASSI { 1105}
   (( segid " 1SG" and resid 48   and name HN  ))
   (  segid " 1SG" and resid 42   and name HD% )
      4.000     2.000     2.000 peak  1105 spectrum    1 weight  0.10000E+01 volume  0.80691E-03 ppm1      8.396 ppm2      6.693 CV     1
 ASSI { 1106}
   (( segid " 1SG" and resid 90   and name HN  ))
   (( segid " 1SG" and resid 89   and name HB2 ))
      4.400     2.500     1.600 peak  1106 spectrum    1 weight  0.10000E+01 volume  0.80680E-03 ppm1      9.488 ppm2      2.324 CV     1
 ASSI { 1109}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 89   and name HB2 ))
      3.400     1.500     1.500 peak  1109 spectrum    1 weight  0.10000E+01 volume  0.80455E-03 ppm1      8.977 ppm2      2.309 CV     1
 ASSI { 1114}
   (( segid " 1SG" and resid 40   and name HN  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      5.000     3.100     1.000 peak  1114 spectrum    1 weight  0.10000E+01 volume  0.79721E-03 ppm1      8.695 ppm2      0.172 CV     1
 ASSI { 1115}
   (( segid " 1SG" and resid 96   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.800     1.800     1.800 peak  1115 spectrum    1 weight  0.10000E+01 volume  0.79346E-03 ppm1      7.545 ppm2      0.466 CV     1
 ASSI { 1116}
   (( segid " 1SG" and resid 78   and name HN  ))
   (  segid " 1SG" and resid 76   and name HG2%)
      4.000     2.000     2.000 peak  1116 spectrum    1 weight  0.10000E+01 volume  0.78976E-03 ppm1      8.055 ppm2      0.789 CV     1
 ASSI { 1117}
   (( segid " 1SG" and resid 64   and name HN  ))
   (( segid " 1SG" and resid 63   and name HB2 ))
      5.000     3.100     1.000 peak  1117 spectrum    1 weight  0.10000E+01 volume  0.78816E-03 ppm1      7.754 ppm2      2.540 CV     1
 ASSI { 1118}
   (( segid " 1SG" and resid 33   and name HN  ))
   (( segid " 1SG" and resid 32   and name HA  ))
      3.600     1.700     1.700 peak  1118 spectrum    1 weight  0.10000E+01 volume  0.78703E-03 ppm1      7.614 ppm2      4.515 CV     1
 ASSI { 1119}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 72   and name HN  ))
      4.100     2.100     1.900 peak  1119 spectrum    1 weight  0.10000E+01 volume  0.78612E-03 ppm1      9.450 ppm2      9.298 CV     1
 ASSI { 1120}
   (( segid " 1SG" and resid 50   and name HN  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      4.100     2.100     1.900 peak  1120 spectrum    1 weight  0.10000E+01 volume  0.78360E-03 ppm1      8.939 ppm2      1.056 CV     1
 ASSI { 1122}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 40   and name HD1 ))
      3.900     3.900     2.100 peak  1122 spectrum    1 weight  0.10000E+01 volume  0.78157E-03 ppm1      8.978 ppm2      1.704 CV     1
 OR { 1122}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 40   and name HD2 ))
 ASSI { 1124}
   (( segid " 1SG" and resid 84   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      5.300     3.500     0.700 peak  1124 spectrum    1 weight  0.10000E+01 volume  0.78071E-03 ppm1      7.861 ppm2      0.372 CV     1
 ASSI { 1127}
   (( segid " 1SG" and resid 30   and name HN  ))
   (  segid " 1SG" and resid 70   and name HE% )
      4.100     2.100     1.900 peak  1127 spectrum    1 weight  0.10000E+01 volume  0.77696E-03 ppm1      8.590 ppm2      6.626 CV     1
 ASSI { 1128}
   (( segid " 1SG" and resid 6    and name HN  ))
   (  segid " 1SG" and resid 6    and name HD1%)
      4.200     2.300     1.800 peak  1128 spectrum    1 weight  0.10000E+01 volume  0.77567E-03 ppm1      8.452 ppm2      0.650 CV     1
 ASSI { 1130}
   (( segid " 1SG" and resid 52   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
      4.500     2.600     1.500 peak  1130 spectrum    1 weight  0.10000E+01 volume  0.77449E-03 ppm1      7.782 ppm2      0.598 CV     1
 OR { 1130}
   (( segid " 1SG" and resid 52   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI { 1132}
   (( segid " 1SG" and resid 51   and name HN  ))
   (( segid " 1SG" and resid 52   and name HG2 ))
      4.200     2.200     1.800 peak  1132 spectrum    1 weight  0.10000E+01 volume  0.77342E-03 ppm1      7.881 ppm2      1.329 CV     1
 OR { 1132}
   (( segid " 1SG" and resid 51   and name HN  ))
   (( segid " 1SG" and resid 52   and name HG1 ))
 ASSI { 1134}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 43   and name HA  ))
      3.400     1.500     1.500 peak  1134 spectrum    1 weight  0.10000E+01 volume  0.77224E-03 ppm1      8.628 ppm2      4.137 CV     1
 ASSI { 1135}
   (( segid " 1SG" and resid 102  and name HN  ))
   (  segid " 1SG" and resid 102  and name HD% )
      3.600     1.600     1.600 peak  1135 spectrum    1 weight  0.10000E+01 volume  0.77208E-03 ppm1      8.559 ppm2      6.774 CV     1
 ASSI { 1136}
   (( segid " 1SG" and resid 85   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG1%)
      4.200     2.200     1.800 peak  1136 spectrum    1 weight  0.10000E+01 volume  0.77112E-03 ppm1      9.402 ppm2      0.679 CV     1
 ASSI { 1139}
   (( segid " 1SG" and resid 97   and name HN  ))
   (  segid " 1SG" and resid 97   and name HD% )
      4.500     2.600     1.500 peak  1139 spectrum    1 weight  0.10000E+01 volume  0.76983E-03 ppm1      8.059 ppm2      7.095 CV     1
 ASSI { 1147}
   (( segid " 1SG" and resid 6    and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      4.700     2.700     1.300 peak  1147 spectrum    1 weight  0.10000E+01 volume  0.76404E-03 ppm1      8.450 ppm2      0.473 CV     1
 ASSI { 1148}
   (( segid " 1SG" and resid 100  and name HN  ))
   (( segid " 1SG" and resid 100  and name HB2 ))
      4.200     2.200     1.800 peak  1148 spectrum    1 weight  0.10000E+01 volume  0.76324E-03 ppm1      8.896 ppm2      2.949 CV     1
 ASSI { 1149}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 94   and name HD2 ))
      2.600     2.600     3.400 peak  1149 spectrum    1 weight  0.10000E+01 volume  0.76179E-03 ppm1      7.966 ppm2      1.675 CV     1
 OR { 1149}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 94   and name HD1 ))
 ASSI { 1150}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 7    and name HB2 ))
      2.900     2.900     3.100 peak  1150 spectrum    1 weight  0.10000E+01 volume  0.76153E-03 ppm1      7.886 ppm2      2.575 CV     1
 ASSI { 1151}
   (( segid " 1SG" and resid 105  and name HN  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      4.200     2.200     1.800 peak  1151 spectrum    1 weight  0.10000E+01 volume  0.76083E-03 ppm1      8.397 ppm2      0.598 CV     1
 ASSI { 1153}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 49   and name HB2 ))
      4.800     2.900     1.200 peak  1153 spectrum    1 weight  0.10000E+01 volume  0.75660E-03 ppm1      6.765 ppm2      1.541 CV     1
 ASSI { 1154}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 104  and name HG  ))
      4.000     2.000     2.000 peak  1154 spectrum    1 weight  0.10000E+01 volume  0.75606E-03 ppm1      8.795 ppm2      1.331 CV     1
 ASSI { 1155}
   (( segid " 1SG" and resid 17   and name HN  ))
   (( segid " 1SG" and resid 20   and name HA1 ))
      3.600     1.700     1.700 peak  1155 spectrum    1 weight  0.10000E+01 volume  0.75360E-03 ppm1      7.901 ppm2      3.729 CV     1
 ASSI { 1156}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 94   and name HA  ))
      4.700     2.800     1.300 peak  1156 spectrum    1 weight  0.10000E+01 volume  0.75349E-03 ppm1      7.545 ppm2      4.046 CV     1
 ASSI { 1159}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (  segid " 1SG" and resid 47   and name HG2%)
      3.900     1.900     1.900 peak  1159 spectrum    1 weight  0.10000E+01 volume  0.75258E-03 ppm1     10.119 ppm2      0.784 CV     1
 ASSI { 1160}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 29   and name HN  ))
      4.100     2.100     1.900 peak  1160 spectrum    1 weight  0.10000E+01 volume  0.75140E-03 ppm1      9.673 ppm2      8.869 CV     1
 ASSI { 1161}
   (( segid " 1SG" and resid 21   and name HN  ))
   (( segid " 1SG" and resid 77   and name HA  ))
      4.800     2.800     1.200 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.75081E-03 ppm1      8.164 ppm2      4.654 CV     1
 ASSI { 1162}
   (( segid " 1SG" and resid 64   and name HN  ))
   (( segid " 1SG" and resid 68   and name HN  ))
      4.000     2.000     2.000 peak  1162 spectrum    1 weight  0.10000E+01 volume  0.75006E-03 ppm1      7.762 ppm2      7.885 CV     1
 ASSI { 1163}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 48   and name HB2 ))
      4.400     2.500     1.600 peak  1163 spectrum    1 weight  0.10000E+01 volume  0.74963E-03 ppm1      9.289 ppm2      2.942 CV     1
 ASSI { 1166}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 104  and name HB2 ))
      4.500     2.600     1.500 peak  1166 spectrum    1 weight  0.10000E+01 volume  0.74749E-03 ppm1      8.397 ppm2      1.239 CV     1
 ASSI { 1167}
   (( segid " 1SG" and resid 8    and name HN  ))
   (  segid " 1SG" and resid 7    and name HD% )
      4.700     2.700     1.300 peak  1167 spectrum    1 weight  0.10000E+01 volume  0.74593E-03 ppm1      9.051 ppm2      7.309 CV     1
 ASSI { 1168}
   (( segid " 1SG" and resid 67   and name HN  ))
   (  segid " 1SG" and resid 69   and name HG2%)
      4.400     2.400     1.600 peak  1168 spectrum    1 weight  0.10000E+01 volume  0.74583E-03 ppm1      7.424 ppm2      0.850 CV     1
 OR { 1168}
   (( segid " 1SG" and resid 67   and name HN  ))
   (  segid " 1SG" and resid 69   and name HG1%)
 ASSI { 1170}
   (( segid " 1SG" and resid 12   and name HE21))
   (  segid " 1SG" and resid 102  and name HE% )
      4.200     2.200     1.800 peak  1170 spectrum    1 weight  0.10000E+01 volume  0.74508E-03 ppm1      7.462 ppm2      7.083 CV     1
 ASSI { 1172}
   (( segid " 1SG" and resid 86   and name HN  ))
   (( segid " 1SG" and resid 85   and name HN  ))
      3.900     1.900     1.900 peak  1172 spectrum    1 weight  0.10000E+01 volume  0.74492E-03 ppm1      7.948 ppm2      9.406 CV     1
 ASSI { 1173}
   (( segid " 1SG" and resid 90   and name HN  ))
   (( segid " 1SG" and resid 41   and name HA  ))
      4.300     2.300     1.700 peak  1173 spectrum    1 weight  0.10000E+01 volume  0.74288E-03 ppm1      9.490 ppm2      5.471 CV     1
 ASSI { 1174}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB2 ))
      4.800     2.900     1.200 peak  1174 spectrum    1 weight  0.10000E+01 volume  0.74277E-03 ppm1      7.198 ppm2      2.395 CV     1
 OR { 1174}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB1 ))
 ASSI { 1175}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 73   and name HB2 ))
      3.800     1.800     1.800 peak  1175 spectrum    1 weight  0.10000E+01 volume  0.74277E-03 ppm1      8.688 ppm2      1.552 CV     1
 ASSI { 1181}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 99   and name HB2 ))
      3.900     1.900     1.900 peak  1181 spectrum    1 weight  0.10000E+01 volume  0.73833E-03 ppm1      9.230 ppm2      2.737 CV     1
 ASSI { 1183}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HA  ))
      3.400     1.400     1.400 peak  1183 spectrum    1 weight  0.10000E+01 volume  0.73806E-03 ppm1      8.888 ppm2      5.828 CV     1
 ASSI { 1184}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 105  and name HN  ))
      3.800     1.800     1.800 peak  1184 spectrum    1 weight  0.10000E+01 volume  0.73795E-03 ppm1      9.178 ppm2      8.396 CV     1
 ASSI { 1187}
   (( segid " 1SG" and resid 17   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      4.600     2.600     1.400 peak  1187 spectrum    1 weight  0.10000E+01 volume  0.73693E-03 ppm1      7.900 ppm2      1.179 CV     1
 ASSI { 1192}
   (( segid " 1SG" and resid 9    and name HN  ))
   (  segid " 1SG" and resid 7    and name HD% )
      4.200     2.200     1.800 peak  1192 spectrum    1 weight  0.10000E+01 volume  0.73452E-03 ppm1      7.892 ppm2      7.309 CV     1
 ASSI { 1193}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 96   and name HG1 ))
      4.900     3.000     1.100 peak  1193 spectrum    1 weight  0.10000E+01 volume  0.73163E-03 ppm1      7.973 ppm2      1.317 CV     1
 OR { 1193}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 96   and name HG2 ))
 ASSI { 1194}
   (( segid " 1SG" and resid 60   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD2%)
      4.300     2.300     1.700 peak  1194 spectrum    1 weight  0.10000E+01 volume  0.72943E-03 ppm1      8.688 ppm2      0.407 CV     1
 OR { 1194}
   (( segid " 1SG" and resid 60   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI { 1198}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 76   and name HN  ))
      4.300     2.300     1.700 peak  1198 spectrum    1 weight  0.10000E+01 volume  0.72906E-03 ppm1      9.238 ppm2      8.919 CV     1
 ASSI { 1199}
   (( segid " 1SG" and resid 70   and name HN  ))
   (( segid " 1SG" and resid 29   and name HA  ))
      4.400     2.400     1.600 peak  1199 spectrum    1 weight  0.10000E+01 volume  0.72874E-03 ppm1      9.269 ppm2      4.385 CV     1
 ASSI { 1201}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 81   and name HA  ))
      5.700     4.000     0.300 peak  1201 spectrum    1 weight  0.10000E+01 volume  0.72724E-03 ppm1      8.150 ppm2      3.988 CV     1
 ASSI { 1205}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (  segid " 1SG" and resid 74   and name HD2%)
      4.100     2.100     1.900 peak  1205 spectrum    1 weight  0.10000E+01 volume  0.72595E-03 ppm1     10.782 ppm2      0.402 CV     1
 OR { 1205}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI { 1210}
   (( segid " 1SG" and resid 29   and name HN  ))
   (( segid " 1SG" and resid 28   and name HB  ))
      4.200     2.200     1.800 peak  1210 spectrum    1 weight  0.10000E+01 volume  0.72097E-03 ppm1      8.854 ppm2      1.961 CV     1
 ASSI { 1211}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 82   and name HN  ))
      3.400     1.500     1.500 peak  1211 spectrum    1 weight  0.10000E+01 volume  0.72081E-03 ppm1      8.254 ppm2      8.025 CV     1
 ASSI { 1213}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 43   and name HB2 ))
      4.200     2.200     1.800 peak  1213 spectrum    1 weight  0.10000E+01 volume  0.71689E-03 ppm1      8.211 ppm2      1.213 CV     1
 ASSI { 1214}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 15   and name HB2 ))
      4.800     2.800     1.200 peak  1214 spectrum    1 weight  0.10000E+01 volume  0.71657E-03 ppm1      8.404 ppm2      2.024 CV     1
 OR { 1214}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 15   and name HB1 ))
 ASSI { 1217}
   (( segid " 1SG" and resid 76   and name HN  ))
   (( segid " 1SG" and resid 77   and name HN  ))
      4.100     2.100     1.900 peak  1217 spectrum    1 weight  0.10000E+01 volume  0.71443E-03 ppm1      8.925 ppm2      8.720 CV     1
 ASSI { 1218}
   (( segid " 1SG" and resid 80   and name HE21))
   (( segid " 1SG" and resid 80   and name HA  ))
      3.500     1.500     1.500 peak  1218 spectrum    1 weight  0.10000E+01 volume  0.71314E-03 ppm1      6.979 ppm2      4.637 CV     1
 ASSI { 1219}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 26   and name HN  ))
      4.200     2.200     1.800 peak  1219 spectrum    1 weight  0.10000E+01 volume  0.71293E-03 ppm1      8.401 ppm2      9.500 CV     1
 ASSI { 1222}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 93   and name HB  ))
      3.800     1.800     1.800 peak  1222 spectrum    1 weight  0.10000E+01 volume  0.71025E-03 ppm1      7.972 ppm2      4.556 CV     1
 ASSI { 1223}
   (( segid " 1SG" and resid 98   and name HN  ))
   (( segid " 1SG" and resid 97   and name HB2 ))
      4.600     2.600     1.400 peak  1223 spectrum    1 weight  0.10000E+01 volume  0.70982E-03 ppm1      8.414 ppm2      2.674 CV     1
 ASSI { 1224}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 68   and name HG1 ))
      5.300     3.500     0.700 peak  1224 spectrum    1 weight  0.10000E+01 volume  0.70939E-03 ppm1      7.423 ppm2      1.256 CV     1
 OR { 1224}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 68   and name HG2 ))
 ASSI { 1225}
   (( segid " 1SG" and resid 96   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD1%)
      4.100     2.100     1.900 peak  1225 spectrum    1 weight  0.10000E+01 volume  0.70886E-03 ppm1      7.544 ppm2      0.653 CV     1
 ASSI { 1226}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 60   and name HB2 ))
      3.500     1.600     1.600 peak  1226 spectrum    1 weight  0.10000E+01 volume  0.70736E-03 ppm1      9.449 ppm2      2.977 CV     1
 ASSI { 1228}
   (( segid " 1SG" and resid 108  and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.900     1.900     1.900 peak  1228 spectrum    1 weight  0.10000E+01 volume  0.70446E-03 ppm1      8.564 ppm2      0.370 CV     1
 ASSI { 1230}
   (( segid " 1SG" and resid 30   and name HN  ))
   (( segid " 1SG" and resid 70   and name HN  ))
      3.900     1.900     1.900 peak  1230 spectrum    1 weight  0.10000E+01 volume  0.70136E-03 ppm1      8.593 ppm2      9.275 CV     1
 ASSI { 1231}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 24   and name HN  ))
      4.200     2.200     1.800 peak  1231 spectrum    1 weight  0.10000E+01 volume  0.70120E-03 ppm1      8.400 ppm2      9.240 CV     1
 ASSI { 1232}
   (( segid " 1SG" and resid 83   and name HN  ))
   (  segid " 1SG" and resid 83   and name HE% )
      4.900     3.000     1.100 peak  1232 spectrum    1 weight  0.10000E+01 volume  0.70109E-03 ppm1      8.256 ppm2      7.263 CV     1
 ASSI { 1238}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 58   and name HG2 ))
      4.600     2.700     1.400 peak  1238 spectrum    1 weight  0.10000E+01 volume  0.69664E-03 ppm1      9.148 ppm2      1.803 CV     1
 ASSI { 1239}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 40   and name HD2 ))
      4.300     2.300     1.700 peak  1239 spectrum    1 weight  0.10000E+01 volume  0.69493E-03 ppm1      9.110 ppm2      1.698 CV     1
 OR { 1239}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 40   and name HD1 ))
 ASSI { 1241}
   (( segid " 1SG" and resid 108  and name HN  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      4.500     2.600     1.500 peak  1241 spectrum    1 weight  0.10000E+01 volume  0.69455E-03 ppm1      8.565 ppm2      1.285 CV     1
 ASSI { 1245}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 41   and name HD1 ))
      4.100     2.100     1.900 peak  1245 spectrum    1 weight  0.10000E+01 volume  0.69252E-03 ppm1      8.690 ppm2      7.122 CV     1
 ASSI { 1247}
   (( segid " 1SG" and resid 58   and name HE22))
   (( segid " 1SG" and resid 77   and name HB  ))
      4.400     2.400     1.600 peak  1247 spectrum    1 weight  0.10000E+01 volume  0.69177E-03 ppm1      6.686 ppm2      4.009 CV     1
 ASSI { 1249}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 7    and name HB2 ))
      2.900     2.900     3.100 peak  1249 spectrum    1 weight  0.10000E+01 volume  0.69096E-03 ppm1      9.229 ppm2      2.578 CV     1
 ASSI { 1250}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 77   and name HN  ))
      5.000     3.100     1.000 peak  1250 spectrum    1 weight  0.10000E+01 volume  0.69064E-03 ppm1      8.944 ppm2      8.717 CV     1
 ASSI { 1258}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 74   and name HN  ))
      4.300     2.300     1.700 peak  1258 spectrum    1 weight  0.10000E+01 volume  0.68550E-03 ppm1      9.450 ppm2      8.472 CV     1
 ASSI { 1260}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 42   and name HB2 ))
      4.700     2.800     1.300 peak  1260 spectrum    1 weight  0.10000E+01 volume  0.68432E-03 ppm1      9.287 ppm2      2.479 CV     1
 ASSI { 1263}
   (( segid " 1SG" and resid 73   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD2%)
      4.500     2.500     1.500 peak  1263 spectrum    1 weight  0.10000E+01 volume  0.68137E-03 ppm1      9.448 ppm2      0.742 CV     1
 ASSI { 1264}
   (( segid " 1SG" and resid 80   and name HE22))
   (( segid " 1SG" and resid 80   and name HA  ))
      5.200     3.400     0.800 peak  1264 spectrum    1 weight  0.10000E+01 volume  0.68014E-03 ppm1      6.643 ppm2      4.635 CV     1
 ASSI { 1268}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 89   and name HA  ))
      3.600     1.600     1.600 peak  1268 spectrum    1 weight  0.10000E+01 volume  0.67907E-03 ppm1      8.977 ppm2      4.944 CV     1
 ASSI { 1269}
   (( segid " 1SG" and resid 73   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD1%)
      3.900     1.900     1.900 peak  1269 spectrum    1 weight  0.10000E+01 volume  0.67901E-03 ppm1      9.452 ppm2      0.839 CV     1
 ASSI { 1270}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 57   and name HG  ))
      4.400     2.400     1.600 peak  1270 spectrum    1 weight  0.10000E+01 volume  0.67875E-03 ppm1      9.018 ppm2      0.750 CV     1
 ASSI { 1272}
   (( segid " 1SG" and resid 53   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD1%)
      5.400     3.600     0.600 peak  1272 spectrum    1 weight  0.10000E+01 volume  0.67789E-03 ppm1      6.765 ppm2      0.861 CV     1
 ASSI { 1273}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 98   and name HB2 ))
      4.800     2.900     1.200 peak  1273 spectrum    1 weight  0.10000E+01 volume  0.67741E-03 ppm1      9.229 ppm2      2.289 CV     1
 ASSI { 1274}
   (( segid " 1SG" and resid 16   and name HN  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      4.600     2.700     1.400 peak  1274 spectrum    1 weight  0.10000E+01 volume  0.67703E-03 ppm1      8.594 ppm2      1.286 CV     1
 ASSI { 1276}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 71   and name HA  ))
      4.200     2.200     1.800 peak  1276 spectrum    1 weight  0.10000E+01 volume  0.67639E-03 ppm1      9.674 ppm2      5.062 CV     1
 ASSI { 1277}
   (( segid " 1SG" and resid 76   and name HN  ))
   (( segid " 1SG" and resid 75   and name HN  ))
      4.000     2.000     2.000 peak  1277 spectrum    1 weight  0.10000E+01 volume  0.67628E-03 ppm1      8.928 ppm2      9.150 CV     1
 ASSI { 1285}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 17   and name HN  ))
      3.800     1.800     1.800 peak  1285 spectrum    1 weight  0.10000E+01 volume  0.66733E-03 ppm1      8.829 ppm2      7.897 CV     1
 ASSI { 1286}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 65   and name HA  ))
      4.400     2.400     1.600 peak  1286 spectrum    1 weight  0.10000E+01 volume  0.66733E-03 ppm1      7.422 ppm2      3.445 CV     1
 ASSI { 1287}
   (( segid " 1SG" and resid 22   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      4.300     2.300     1.700 peak  1287 spectrum    1 weight  0.10000E+01 volume  0.66728E-03 ppm1      8.892 ppm2      1.182 CV     1
 ASSI { 1288}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 67   and name HA  ))
      4.800     2.900     1.200 peak  1288 spectrum    1 weight  0.10000E+01 volume  0.66690E-03 ppm1      8.107 ppm2      4.299 CV     1
 ASSI { 1290}
   (( segid " 1SG" and resid 70   and name HN  ))
   (( segid " 1SG" and resid 28   and name HB  ))
      3.700     1.700     1.700 peak  1290 spectrum    1 weight  0.10000E+01 volume  0.66669E-03 ppm1      9.273 ppm2      1.954 CV     1
 ASSI { 1292}
   (( segid " 1SG" and resid 101  and name HD22))
   (( segid " 1SG" and resid 101  and name HB2 ))
      4.400     2.400     1.600 peak  1292 spectrum    1 weight  0.10000E+01 volume  0.66444E-03 ppm1      6.724 ppm2      2.692 CV     1
 ASSI { 1295}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 83   and name HA  ))
      4.000     2.000     2.000 peak  1295 spectrum    1 weight  0.10000E+01 volume  0.66176E-03 ppm1     10.109 ppm2      4.613 CV     1
 ASSI { 1296}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB1 ))
      4.600     2.600     1.400 peak  1296 spectrum    1 weight  0.10000E+01 volume  0.66165E-03 ppm1      9.024 ppm2      2.399 CV     1
 OR { 1296}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB2 ))
 ASSI { 1298}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 37   and name HB2 ))
      4.700     2.800     1.300 peak  1298 spectrum    1 weight  0.10000E+01 volume  0.66112E-03 ppm1      8.737 ppm2      1.365 CV     1
 OR { 1298}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 37   and name HG2 ))
 ASSI { 1301}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 106  and name HN  ))
      4.400     2.400     1.600 peak  1301 spectrum    1 weight  0.10000E+01 volume  0.66074E-03 ppm1      8.826 ppm2      8.159 CV     1
 ASSI { 1302}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 84   and name HA  ))
      3.900     1.900     1.900 peak  1302 spectrum    1 weight  0.10000E+01 volume  0.65940E-03 ppm1      8.799 ppm2      4.230 CV     1
 OR { 1302}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 84   and name HB  ))
 ASSI { 1306}
   (( segid " 1SG" and resid 40   and name HN  ))
   (  segid " 1SG" and resid 38   and name HG2%)
      4.400     2.400     1.600 peak  1306 spectrum    1 weight  0.10000E+01 volume  0.65565E-03 ppm1      8.688 ppm2      0.784 CV     1
 ASSI { 1310}
   (( segid " 1SG" and resid 93   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD1%)
      4.200     2.300     1.800 peak  1310 spectrum    1 weight  0.10000E+01 volume  0.65335E-03 ppm1      8.555 ppm2      0.652 CV     1
 ASSI { 1311}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 46   and name HB2 ))
      4.700     2.700     1.300 peak  1311 spectrum    1 weight  0.10000E+01 volume  0.65303E-03 ppm1     10.115 ppm2      3.057 CV     1
 ASSI { 1312}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      4.200     2.200     1.800 peak  1312 spectrum    1 weight  0.10000E+01 volume  0.65169E-03 ppm1      9.149 ppm2      1.436 CV     1
 ASSI { 1314}
   (( segid " 1SG" and resid 42   and name HN  ))
   (( segid " 1SG" and resid 41   and name HN  ))
      4.600     2.600     1.400 peak  1314 spectrum    1 weight  0.10000E+01 volume  0.65013E-03 ppm1      9.445 ppm2      9.310 CV     1
 ASSI { 1315}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 101  and name HA  ))
      4.200     2.200     1.800 peak  1315 spectrum    1 weight  0.10000E+01 volume  0.64997E-03 ppm1      8.979 ppm2      5.507 CV     1
 ASSI { 1317}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 45   and name HA  ))
      4.800     2.900     1.200 peak  1317 spectrum    1 weight  0.10000E+01 volume  0.64762E-03 ppm1     10.118 ppm2      3.497 CV     1
 ASSI { 1319}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 57   and name HA  ))
      4.100     2.100     1.900 peak  1319 spectrum    1 weight  0.10000E+01 volume  0.64671E-03 ppm1      9.150 ppm2      5.401 CV     1
 ASSI { 1320}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 45   and name HE2 ))
      4.300     2.300     1.700 peak  1320 spectrum    1 weight  0.10000E+01 volume  0.64638E-03 ppm1     10.108 ppm2      2.594 CV     1
 ASSI { 1323}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 58   and name HA  ))
      3.800     1.800     1.800 peak  1323 spectrum    1 weight  0.10000E+01 volume  0.64467E-03 ppm1      7.436 ppm2      4.650 CV     1
 ASSI { 1325}
   (( segid " 1SG" and resid 10   and name HN  ))
   (( segid " 1SG" and resid 10   and name HA  ))
      3.600     1.600     1.600 peak  1325 spectrum    1 weight  0.10000E+01 volume  0.64269E-03 ppm1      8.852 ppm2      4.315 CV     1
 ASSI { 1332}
   (( segid " 1SG" and resid 80   and name HN  ))
   (( segid " 1SG" and resid 80   and name HG1 ))
      4.800     2.800     1.200 peak  1332 spectrum    1 weight  0.10000E+01 volume  0.63867E-03 ppm1      5.579 ppm2      2.159 CV     1
 OR { 1332}
   (( segid " 1SG" and resid 80   and name HN  ))
   (( segid " 1SG" and resid 80   and name HG2 ))
 ASSI { 1333}
   (( segid " 1SG" and resid 21   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      4.300     2.300     1.700 peak  1333 spectrum    1 weight  0.10000E+01 volume  0.63786E-03 ppm1      8.168 ppm2      1.177 CV     1
 ASSI { 1335}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 89   and name HA  ))
      4.400     2.400     1.600 peak  1335 spectrum    1 weight  0.10000E+01 volume  0.63631E-03 ppm1      8.689 ppm2      4.943 CV     1
 ASSI { 1341}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 88   and name HA  ))
      3.500     1.500     1.500 peak  1341 spectrum    1 weight  0.10000E+01 volume  0.63015E-03 ppm1      9.108 ppm2      5.308 CV     1
 ASSI { 1348}
   (( segid " 1SG" and resid 102  and name HN  ))
   (( segid " 1SG" and resid 103  and name HN  ))
      3.200     1.300     1.300 peak  1348 spectrum    1 weight  0.10000E+01 volume  0.38485E-02 ppm1      8.557 ppm2      9.245 CV     1
 ASSI { 1349}
   (( segid " 1SG" and resid 42   and name HN  ))
   (( segid " 1SG" and resid 42   and name HA  ))
      2.700     0.900     0.900 peak  1349 spectrum    1 weight  0.10000E+01 volume  0.38464E-02 ppm1      9.447 ppm2      5.780 CV     1
 ASSI { 1351}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 14   and name HN  ))
      3.400     1.400     1.400 peak  1351 spectrum    1 weight  0.10000E+01 volume  0.38464E-02 ppm1      8.317 ppm2      9.191 CV     1
 ASSI { 1352}
   (( segid " 1SG" and resid 94   and name HN  ))
   (( segid " 1SG" and resid 94   and name HB2 ))
      3.200     1.300     1.300 peak  1352 spectrum    1 weight  0.10000E+01 volume  0.38464E-02 ppm1      8.330 ppm2      1.778 CV     1
 ASSI { 1353}
   (( segid " 1SG" and resid 93   and name HN  ))
   (( segid " 1SG" and resid 93   and name HB  ))
      2.700     0.900     0.900 peak  1353 spectrum    1 weight  0.10000E+01 volume  0.38464E-02 ppm1      8.558 ppm2      4.550 CV     1
 ASSI { 1356}
   (( segid " 1SG" and resid 56   and name HN  ))
   (( segid " 1SG" and resid 56   and name HA  ))
      2.800     1.000     1.000 peak  1356 spectrum    1 weight  0.10000E+01 volume  0.38464E-02 ppm1      8.385 ppm2      4.970 CV     1
 ASSI { 1357}
   (( segid " 1SG" and resid 30   and name HN  ))
   (( segid " 1SG" and resid 29   and name HN  ))
      3.300     1.300     1.300 peak  1357 spectrum    1 weight  0.10000E+01 volume  0.38464E-02 ppm1      8.590 ppm2      8.856 CV     1
 ASSI { 1358}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 8    and name HN  ))
      2.500     0.800     0.800 peak  1358 spectrum    1 weight  0.10000E+01 volume  0.38464E-02 ppm1      7.892 ppm2      9.052 CV     1
 ASSI { 1360}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 98   and name HN  ))
      3.400     1.400     1.400 peak  1360 spectrum    1 weight  0.10000E+01 volume  0.38464E-02 ppm1      8.056 ppm2      8.423 CV     1
 ASSI { 1363}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB2 ))
      4.000     2.000     2.000 peak  1363 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      9.288 ppm2      1.696 CV     1
 OR { 1363}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB1 ))
 ASSI { 1365}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 35   and name HB1 ))
      3.200     1.300     1.300 peak  1365 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      7.510 ppm2      1.779 CV     1
 OR { 1365}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 35   and name HB2 ))
 ASSI { 1366}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 35   and name HE2 ))
      3.500     1.500     1.500 peak  1366 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      7.510 ppm2      2.950 CV     1
 OR { 1366}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 35   and name HE1 ))
 ASSI { 1367}
   (( segid " 1SG" and resid 45   and name HN  ))
   (( segid " 1SG" and resid 45   and name HA  ))
      2.800     1.000     1.000 peak  1367 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      8.196 ppm2      3.486 CV     1
 ASSI { 1369}
   (( segid " 1SG" and resid 45   and name HN  ))
   (( segid " 1SG" and resid 45   and name HB2 ))
      2.700     0.900     0.900 peak  1369 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      8.195 ppm2      0.606 CV     1
 OR { 1369}
   (( segid " 1SG" and resid 45   and name HN  ))
   (( segid " 1SG" and resid 45   and name HG2 ))
 ASSI { 1371}
   (( segid " 1SG" and resid 94   and name HN  ))
   (( segid " 1SG" and resid 94   and name HA  ))
      2.500     0.800     0.800 peak  1371 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      8.337 ppm2      4.042 CV     1
 ASSI { 1373}
   (( segid " 1SG" and resid 18   and name HN  ))
   (  segid " 1SG" and resid 18   and name HG1%)
      3.700     1.700     1.700 peak  1373 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      8.005 ppm2      0.992 CV     1
 ASSI { 1374}
   (( segid " 1SG" and resid 53   and name HN  ))
   (  segid " 1SG" and resid 53   and name HG1%)
      3.600     1.600     1.600 peak  1374 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      6.764 ppm2      1.120 CV     1
 ASSI { 1376}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 21   and name HB2 ))
      3.800     1.800     1.800 peak  1376 spectrum    1 weight  0.10000E+01 volume  0.38485E-02 ppm1      8.053 ppm2      3.751 CV     1
 ASSI { 1379}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 62   and name HN  ))
      3.700     1.700     1.700 peak  1379 spectrum    1 weight  0.10000E+01 volume  0.38464E-02 ppm1      9.447 ppm2      8.851 CV     1
 ASSI { 1380}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 64   and name HN  ))
      3.300     1.300     1.300 peak  1380 spectrum    1 weight  0.10000E+01 volume  0.38464E-02 ppm1      8.721 ppm2      7.751 CV     1
 ASSI { 1381}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 87   and name HN  ))
      3.100     1.200     1.200 peak  1381 spectrum    1 weight  0.10000E+01 volume  0.38464E-02 ppm1      8.792 ppm2      9.113 CV     1
 ASSI { 1382}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 103  and name HN  ))
      3.300     1.300     1.300 peak  1382 spectrum    1 weight  0.10000E+01 volume  0.38464E-02 ppm1      8.792 ppm2      9.235 CV     1
 ASSI { 1384}
   (( segid " 1SG" and resid 98   and name HN  ))
   (( segid " 1SG" and resid 98   and name HA  ))
      2.800     1.000     1.000 peak  1384 spectrum    1 weight  0.10000E+01 volume  0.38464E-02 ppm1      8.417 ppm2      4.696 CV     1
 ASSI { 1385}
   (( segid " 1SG" and resid 80   and name HN  ))
   (( segid " 1SG" and resid 80   and name HA  ))
      2.600     0.900     0.900 peak  1385 spectrum    1 weight  0.10000E+01 volume  0.38464E-02 ppm1      5.581 ppm2      4.644 CV     1
 ASSI { 1386}
   (( segid " 1SG" and resid 12   and name HN  ))
   (( segid " 1SG" and resid 12   and name HA  ))
      2.700     0.900     0.900 peak  1386 spectrum    1 weight  0.10000E+01 volume  0.38464E-02 ppm1      8.345 ppm2      4.679 CV     1
 ASSI { 1391}
   (( segid " 1SG" and resid 101  and name HN  ))
   (( segid " 1SG" and resid 101  and name HA  ))
      2.600     0.800     0.800 peak  1391 spectrum    1 weight  0.10000E+01 volume  0.38464E-02 ppm1      9.044 ppm2      5.506 CV     1
 ASSI { 1395}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 49   and name HN  ))
      2.900     1.000     1.000 peak  1395 spectrum    1 weight  0.10000E+01 volume  0.38464E-02 ppm1      8.632 ppm2      9.291 CV     1
 ASSI { 1397}
   (( segid " 1SG" and resid 33   and name HN  ))
   (( segid " 1SG" and resid 33   and name HA  ))
      2.700     0.900     0.900 peak  1397 spectrum    1 weight  0.10000E+01 volume  0.38464E-02 ppm1      7.614 ppm2      4.456 CV     1
 ASSI { 1398}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 40   and name HN  ))
      3.300     1.400     1.400 peak  1398 spectrum    1 weight  0.10000E+01 volume  0.38464E-02 ppm1      9.308 ppm2      8.696 CV     1
 ASSI { 1399}
   (( segid " 1SG" and resid 6    and name HN  ))
   (( segid " 1SG" and resid 5    and name HN  ))
      2.000     0.500     0.500 peak  1399 spectrum    1 weight  0.10000E+01 volume  0.38485E-02 ppm1      8.450 ppm2      8.143 CV     1
 ASSI { 1400}
   (( segid " 1SG" and resid 8    and name HN  ))
   (( segid " 1SG" and resid 29   and name HN  ))
      3.100     1.200     1.200 peak  1400 spectrum    1 weight  0.10000E+01 volume  0.38485E-02 ppm1      9.053 ppm2      8.853 CV     1
 ASSI { 1401}
   (( segid " 1SG" and resid 7    and name HN  ))
   (( segid " 1SG" and resid 8    and name HN  ))
      3.000     1.100     1.100 peak  1401 spectrum    1 weight  0.10000E+01 volume  0.38485E-02 ppm1      8.874 ppm2      9.052 CV     1
 ASSI { 1403}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 103  and name HN  ))
      3.200     1.300     1.300 peak  1403 spectrum    1 weight  0.10000E+01 volume  0.38485E-02 ppm1      8.312 ppm2      9.240 CV     1
 ASSI { 1406}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 48   and name HN  ))
      3.200     1.300     1.300 peak  1406 spectrum    1 weight  0.10000E+01 volume  0.38485E-02 ppm1      9.290 ppm2      8.397 CV     1
 ASSI { 1407}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 50   and name HN  ))
      3.300     1.400     1.400 peak  1407 spectrum    1 weight  0.10000E+01 volume  0.38485E-02 ppm1      7.786 ppm2      8.941 CV     1
 ASSI { 1408}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 51   and name HN  ))
      3.400     1.400     1.400 peak  1408 spectrum    1 weight  0.10000E+01 volume  0.38485E-02 ppm1      6.764 ppm2      7.881 CV     1
 ASSI { 1409}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 51   and name HA  ))
      3.000     1.100     1.100 peak  1409 spectrum    1 weight  0.10000E+01 volume  0.38485E-02 ppm1      7.784 ppm2      4.557 CV     1
 ASSI { 1411}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 58   and name HN  ))
      3.200     1.300     1.300 peak  1411 spectrum    1 weight  0.10000E+01 volume  0.38485E-02 ppm1      7.198 ppm2      8.954 CV     1
 ASSI { 1412}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 60   and name HN  ))
      3.200     1.300     1.300 peak  1412 spectrum    1 weight  0.10000E+01 volume  0.38485E-02 ppm1      9.151 ppm2      8.693 CV     1
 ASSI { 1413}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 64   and name HN  ))
      3.300     1.400     1.400 peak  1413 spectrum    1 weight  0.10000E+01 volume  0.38485E-02 ppm1      8.305 ppm2      7.754 CV     1
 ASSI { 1414}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 70   and name HN  ))
      3.100     1.200     1.200 peak  1414 spectrum    1 weight  0.10000E+01 volume  0.38485E-02 ppm1      8.724 ppm2      9.271 CV     1
 ASSI { 1417}
   (( segid " 1SG" and resid 72   and name HN  ))
   (( segid " 1SG" and resid 28   and name HN  ))
      3.400     1.400     1.400 peak  1417 spectrum    1 weight  0.10000E+01 volume  0.38485E-02 ppm1      9.295 ppm2      9.670 CV     1
 ASSI { 1419}
   (( segid " 1SG" and resid 76   and name HN  ))
   (( segid " 1SG" and resid 76   and name HA  ))
      2.600     0.800     0.800 peak  1419 spectrum    1 weight  0.10000E+01 volume  0.38485E-02 ppm1      8.925 ppm2      4.988 CV     1
 ASSI { 1420}
   (( segid " 1SG" and resid 84   and name HN  ))
   (( segid " 1SG" and resid 83   and name HA  ))
      2.700     0.900     0.900 peak  1420 spectrum    1 weight  0.10000E+01 volume  0.38485E-02 ppm1      7.866 ppm2      4.601 CV     1
 ASSI { 1422}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 100  and name HN  ))
      2.700     0.900     0.900 peak  1422 spectrum    1 weight  0.10000E+01 volume  0.38485E-02 ppm1      8.979 ppm2      8.906 CV     1
 ASSI { 1423}
   (( segid " 1SG" and resid 91   and name HN  ))
   (( segid " 1SG" and resid 91   and name HA  ))
      2.500     0.800     0.800 peak  1423 spectrum    1 weight  0.10000E+01 volume  0.38485E-02 ppm1      8.474 ppm2      4.739 CV     1
 ASSI { 1424}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 97   and name HN  ))
      3.100     1.200     1.200 peak  1424 spectrum    1 weight  0.10000E+01 volume  0.38485E-02 ppm1      7.549 ppm2      8.059 CV     1
 ASSI { 1426}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 15   and name HA  ))
      2.600     0.800     0.800 peak  1426 spectrum    1 weight  0.10000E+01 volume  0.38485E-02 ppm1      8.399 ppm2      5.489 CV     1
 ASSI { 1428}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 104  and name HN  ))
      3.200     1.300     1.300 peak  1428 spectrum    1 weight  0.10000E+01 volume  0.38485E-02 ppm1      8.400 ppm2      8.792 CV     1
 ASSI { 1429}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 105  and name HN  ))
      3.000     1.200     1.200 peak  1429 spectrum    1 weight  0.10000E+01 volume  0.38485E-02 ppm1      8.150 ppm2      8.402 CV     1
 ASSI { 1430}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 85   and name HN  ))
      3.000     1.100     1.100 peak  1430 spectrum    1 weight  0.10000E+01 volume  0.38485E-02 ppm1      8.149 ppm2      9.408 CV     1
 ASSI { 1433}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 106  and name HA  ))
      2.600     0.800     0.800 peak  1433 spectrum    1 weight  0.10000E+01 volume  0.38485E-02 ppm1      8.151 ppm2      4.725 CV     1
 ASSI { 1434}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 65   and name HA  ))
      3.100     1.200     1.200 peak  1434 spectrum    1 weight  0.10000E+01 volume  0.38485E-02 ppm1      6.900 ppm2      3.449 CV     1
 ASSI { 1435}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 78   and name HN  ))
      3.900     1.900     1.900 peak  1435 spectrum    1 weight  0.10000E+01 volume  0.38485E-02 ppm1      8.889 ppm2      8.054 CV     1
 ASSI { 1437}
   (( segid " 1SG" and resid 19   and name HN  ))
   (( segid " 1SG" and resid 20   and name HA1 ))
      3.800     1.800     1.800 peak  1437 spectrum    1 weight  0.10000E+01 volume  0.38485E-02 ppm1      9.827 ppm2      3.729 CV     1
 ASSI { 1438}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 37   and name HA  ))
      3.300     1.400     1.400 peak  1438 spectrum    1 weight  0.10000E+01 volume  0.38485E-02 ppm1      8.735 ppm2      4.487 CV     1
 ASSI { 1439}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 39   and name HA  ))
      3.300     1.400     1.400 peak  1439 spectrum    1 weight  0.10000E+01 volume  0.38485E-02 ppm1      8.735 ppm2      4.801 CV     1
 ASSI { 1440}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 43   and name HA  ))
      3.100     1.200     1.200 peak  1440 spectrum    1 weight  0.10000E+01 volume  0.38485E-02 ppm1      9.108 ppm2      4.132 CV     1
 ASSI { 1441}
   (( segid " 1SG" and resid 86   and name HN  ))
   (( segid " 1SG" and resid 103  and name HA  ))
      3.200     1.300     1.300 peak  1441 spectrum    1 weight  0.10000E+01 volume  0.38485E-02 ppm1      7.948 ppm2      5.544 CV     1
 ASSI { 1442}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 48   and name HA  ))
      2.700     0.900     0.900 peak  1442 spectrum    1 weight  0.10000E+01 volume  0.38485E-02 ppm1      8.628 ppm2      4.192 CV     1
 ASSI { 1443}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 86   and name HA2 ))
      3.200     1.300     1.300 peak  1443 spectrum    1 weight  0.10000E+01 volume  0.38485E-02 ppm1      8.796 ppm2      4.658 CV     1
 ASSI { 1445}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 102  and name HA  ))
      3.000     1.100     1.100 peak  1445 spectrum    1 weight  0.10000E+01 volume  0.38485E-02 ppm1      8.313 ppm2      4.987 CV     1
 ASSI { 1446}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 9    and name HB2 ))
      2.800     1.000     1.000 peak  1446 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      7.887 ppm2      1.892 CV     1
 ASSI { 1447}
   (( segid " 1SG" and resid 80   and name HN  ))
   (( segid " 1SG" and resid 80   and name HB2 ))
      2.600     0.800     0.800 peak  1447 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      5.579 ppm2      1.960 CV     1
 OR { 1447}
   (( segid " 1SG" and resid 80   and name HN  ))
   (( segid " 1SG" and resid 80   and name HB1 ))
 ASSI { 1448}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 23   and name HN  ))
      3.200     1.300     1.300 peak  1448 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      9.239 ppm2      7.917 CV     1
 ASSI { 1449}
   (( segid " 1SG" and resid 42   and name HN  ))
   (( segid " 1SG" and resid 41   and name HD1 ))
      3.700     3.700     2.300 peak  1449 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      9.447 ppm2      7.131 CV     1
 ASSI { 1452}
   (( segid " 1SG" and resid 56   and name HN  ))
   (( segid " 1SG" and resid 56   and name HB2 ))
      3.300     1.400     1.400 peak  1452 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      8.383 ppm2      3.101 CV     1
 ASSI { 1453}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 103  and name HB2 ))
      3.100     3.100     2.900 peak  1453 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      9.184 ppm2      2.498 CV     1
 ASSI { 1455}
   (( segid " 1SG" and resid 86   and name HN  ))
   (  segid " 1SG" and resid 87   and name HD% )
      3.000     1.100     1.100 peak  1455 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      7.948 ppm2      6.794 CV     1
 ASSI { 1456}
   (( segid " 1SG" and resid 86   and name HN  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      3.000     3.000     3.000 peak  1456 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      7.946 ppm2      1.498 CV     1
 ASSI { 1458}
   (( segid " 1SG" and resid 5    and name HN  ))
   (( segid " 1SG" and resid 96   and name HB2 ))
      3.500     1.500     1.500 peak  1458 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      8.144 ppm2      1.572 CV     1
 ASSI { 1459}
   (( segid " 1SG" and resid 5    and name HN  ))
   (( segid " 1SG" and resid 4    and name HG12))
      3.600     1.600     1.600 peak  1459 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      8.143 ppm2      1.230 CV     1
 ASSI { 1460}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 64   and name HB2 ))
      2.700     0.900     0.900 peak  1460 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      7.421 ppm2      2.339 CV     1
 ASSI { 1461}
   (( segid " 1SG" and resid 20   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.600     1.600     1.600 peak  1461 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      8.824 ppm2      0.376 CV     1
 ASSI { 1462}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 18   and name HN  ))
      3.200     3.200     2.800 peak  1462 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      8.828 ppm2      8.005 CV     1
 ASSI { 1463}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 63   and name HN  ))
      3.400     1.400     1.400 peak  1463 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      8.848 ppm2      8.521 CV     1
 ASSI { 1465}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 95   and name HB2 ))
      2.600     0.900     0.900 peak  1465 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      7.971 ppm2      2.631 CV     1
 ASSI { 1466}
   (( segid " 1SG" and resid 95   and name HN  ))
   (  segid " 1SG" and resid 93   and name HG2%)
      2.200     2.200     3.800 peak  1466 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      7.969 ppm2      1.024 CV     1
 ASSI { 1468}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 80   and name HG1 ))
      2.800     1.000     1.000 peak  1468 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      8.254 ppm2      2.168 CV     1
 OR { 1468}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 80   and name HG2 ))
 ASSI { 1469}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 106  and name HB  ))
      3.400     1.400     1.400 peak  1469 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      8.253 ppm2      1.861 CV     1
 ASSI { 1471}
   (( segid " 1SG" and resid 83   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.400     1.500     1.500 peak  1471 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      8.254 ppm2      0.372 CV     1
 ASSI { 1472}
   (( segid " 1SG" and resid 93   and name HN  ))
   (  segid " 1SG" and resid 97   and name HD% )
      3.300     1.400     1.400 peak  1472 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      8.557 ppm2      7.094 CV     1
 ASSI { 1473}
   (( segid " 1SG" and resid 93   and name HN  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      2.900     1.100     1.100 peak  1473 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      8.557 ppm2      0.177 CV     1
 ASSI { 1476}
   (( segid " 1SG" and resid 85   and name HN  ))
   (( segid " 1SG" and resid 104  and name HB2 ))
      3.500     1.500     1.500 peak  1476 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      9.406 ppm2      1.227 CV     1
 ASSI { 1477}
   (( segid " 1SG" and resid 85   and name HN  ))
   (( segid " 1SG" and resid 103  and name HA  ))
      3.500     1.500     1.500 peak  1477 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      9.405 ppm2      5.536 CV     1
 ASSI { 1478}
   (( segid " 1SG" and resid 25   and name HN  ))
   (  segid " 1SG" and resid 23   and name HG2%)
      3.200     1.200     1.200 peak  1478 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      8.401 ppm2      0.771 CV     1
 ASSI { 1480}
   (( segid " 1SG" and resid 44   and name HN  ))
   (  segid " 1SG" and resid 87   and name HD% )
      2.700     0.900     0.900 peak  1480 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      8.211 ppm2      6.801 CV     1
 ASSI { 1482}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 43   and name HD2 ))
      3.500     1.600     1.600 peak  1482 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      8.212 ppm2      1.314 CV     1
 OR { 1482}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 43   and name HD1 ))
 ASSI { 1484}
   (( segid " 1SG" and resid 51   and name HN  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      3.200     1.200     1.200 peak  1484 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      7.879 ppm2      1.071 CV     1
 ASSI { 1485}
   (( segid " 1SG" and resid 51   and name HN  ))
   (( segid " 1SG" and resid 52   and name HB2 ))
      3.700     1.700     1.700 peak  1485 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      7.881 ppm2      1.710 CV     1
 ASSI { 1486}
   (( segid " 1SG" and resid 7    and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.600     1.600     1.600 peak  1486 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      8.875 ppm2      0.469 CV     1
 ASSI { 1488}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 48   and name HB2 ))
      3.000     1.100     1.100 peak  1488 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      8.940 ppm2      2.935 CV     1
 ASSI { 1489}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 51   and name HA  ))
      3.500     1.500     1.500 peak  1489 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      8.941 ppm2      4.555 CV     1
 ASSI { 1490}
   (( segid " 1SG" and resid 69   and name HN  ))
   (  segid " 1SG" and resid 63   and name HD% )
      3.000     3.000     3.000 peak  1490 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      6.899 ppm2      5.903 CV     1
 ASSI { 1491}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 67   and name HA  ))
      3.300     1.400     1.400 peak  1491 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      6.897 ppm2      4.292 CV     1
 ASSI { 1494}
   (( segid " 1SG" and resid 83   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      3.500     1.500     1.500 peak  1494 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      8.257 ppm2      1.183 CV     1
 ASSI { 1495}
   (( segid " 1SG" and resid 70   and name HN  ))
   (  segid " 1SG" and resid 28   and name HG2%)
      3.300     1.400     1.400 peak  1495 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      9.272 ppm2      0.629 CV     1
 ASSI { 1497}
   (( segid " 1SG" and resid 70   and name HN  ))
   (  segid " 1SG" and resid 70   and name HE% )
      3.400     1.400     1.400 peak  1497 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      9.270 ppm2      6.632 CV     1
 ASSI { 1498}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 100  and name HN  ))
      3.300     1.400     1.400 peak  1498 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      9.228 ppm2      8.896 CV     1
 ASSI { 1499}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 98   and name HN  ))
      3.300     1.400     1.400 peak  1499 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      9.228 ppm2      8.427 CV     1
 ASSI { 1501}
   (( segid " 1SG" and resid 80   and name HN  ))
   (  segid " 1SG" and resid 83   and name HE% )
      2.800     1.000     1.000 peak  1501 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      5.580 ppm2      7.264 CV     1
 ASSI { 1503}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 34   and name HN  ))
      2.500     0.800     0.800 peak  1503 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      7.510 ppm2      8.687 CV     1
 ASSI { 1504}
   (( segid " 1SG" and resid 92   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.400     1.400     1.400 peak  1504 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      8.734 ppm2      0.473 CV     1
 ASSI { 1505}
   (( segid " 1SG" and resid 92   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG1%)
      2.200     2.200     3.800 peak  1505 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      8.735 ppm2     -0.083 CV     1
 ASSI { 1507}
   (( segid " 1SG" and resid 42   and name HN  ))
   (  segid " 1SG" and resid 49   and name HD2%)
      3.300     3.300     2.700 peak  1507 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      9.445 ppm2      1.011 CV     1
 ASSI { 1510}
   (( segid " 1SG" and resid 42   and name HN  ))
   (( segid " 1SG" and resid 41   and name HB2 ))
      3.400     1.400     1.400 peak  1510 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      9.448 ppm2      3.149 CV     1
 ASSI { 1511}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 103  and name HD21))
      2.900     1.100     1.100 peak  1511 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      9.241 ppm2      7.722 CV     1
 ASSI { 1513}
   (( segid " 1SG" and resid 79   and name HN  ))
   (  segid " 1SG" and resid 83   and name HE% )
      3.500     3.500     2.500 peak  1513 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      8.973 ppm2      7.265 CV     1
 ASSI { 1514}
   (( segid " 1SG" and resid 79   and name HN  ))
   (  segid " 1SG" and resid 83   and name HD% )
      3.600     1.600     1.600 peak  1514 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      8.973 ppm2      7.109 CV     1
 ASSI { 1515}
   (( segid " 1SG" and resid 79   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.200     1.300     1.300 peak  1515 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      8.973 ppm2      0.382 CV     1
 ASSI { 1518}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HD2 ))
      3.500     1.500     1.500 peak  1518 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      8.896 ppm2      3.106 CV     1
 OR { 1518}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HD1 ))
 ASSI { 1519}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 9    and name HG2 ))
      3.200     1.200     1.200 peak  1519 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      8.892 ppm2      2.504 CV     1
 ASSI { 1520}
   (( segid " 1SG" and resid 100  and name HN  ))
   (( segid " 1SG" and resid 89   and name HB2 ))
      2.900     1.000     1.000 peak  1520 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      8.895 ppm2      2.307 CV     1
 ASSI { 1521}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HG1 ))
      2.600     0.800     0.800 peak  1521 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      8.890 ppm2      1.675 CV     1
 OR { 1521}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HG2 ))
 ASSI { 1522}
   (( segid " 1SG" and resid 27   and name HN  ))
   (  segid " 1SG" and resid 28   and name HG2%)
      2.800     2.800     3.200 peak  1522 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      8.891 ppm2      0.632 CV     1
 ASSI { 1523}
   (( segid " 1SG" and resid 94   and name HN  ))
   (( segid " 1SG" and resid 93   and name HB  ))
      2.500     0.800     0.800 peak  1523 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      8.338 ppm2      4.555 CV     1
 ASSI { 1526}
   (( segid " 1SG" and resid 17   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.200     3.200     2.800 peak  1526 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      7.898 ppm2      0.371 CV     1
 ASSI { 1527}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 61   and name HB2 ))
      2.200     2.200     3.800 peak  1527 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      9.450 ppm2      2.295 CV     1
 ASSI { 1530}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 60   and name HA  ))
      3.000     3.000     3.000 peak  1530 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      9.450 ppm2      5.073 CV     1
 ASSI { 1534}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 16   and name HB  ))
      3.400     3.400     2.600 peak  1534 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      8.502 ppm2      1.802 CV     1
 ASSI { 1535}
   (( segid " 1SG" and resid 38   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG2%)
      3.100     1.200     1.200 peak  1535 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      8.374 ppm2     -0.453 CV     1
 ASSI { 1537}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 68   and name HA  ))
      3.800     1.800     1.800 peak  1537 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      8.106 ppm2      3.600 CV     1
 ASSI { 1538}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 65   and name HD2 ))
      3.200     1.300     1.300 peak  1538 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      8.106 ppm2      3.228 CV     1
 OR { 1538}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 65   and name HD1 ))
 ASSI { 1539}
   (( segid " 1SG" and resid 84   and name HN  ))
   (  segid " 1SG" and resid 83   and name HD% )
      3.500     1.600     1.600 peak  1539 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      7.866 ppm2      7.112 CV     1
 ASSI { 1540}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 74   and name HA  ))
      3.300     1.400     1.400 peak  1540 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      8.940 ppm2      4.324 CV     1
 ASSI { 1542}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 22   and name HG12))
      3.400     3.400     2.600 peak  1542 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      8.888 ppm2      0.075 CV     1
 ASSI { 1543}
   (( segid " 1SG" and resid 104  and name HN  ))
   (  segid " 1SG" and resid 106  and name HG1%)
      3.300     3.300     2.700 peak  1543 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      8.793 ppm2      0.667 CV     1
 ASSI { 1549}
   (( segid " 1SG" and resid 26   and name HN  ))
   (( segid " 1SG" and resid 27   and name HN  ))
      3.100     1.200     1.200 peak  1549 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      9.498 ppm2      8.892 CV     1
 ASSI { 1550}
   (( segid " 1SG" and resid 26   and name HN  ))
   (  segid " 1SG" and resid 72   and name HD% )
      3.400     3.400     2.600 peak  1550 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      9.498 ppm2      7.311 CV     1
 ASSI { 1551}
   (( segid " 1SG" and resid 26   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD2%)
      3.500     1.500     1.500 peak  1551 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      9.495 ppm2      0.760 CV     1
 ASSI { 1552}
   (( segid " 1SG" and resid 41   and name HN  ))
   (  segid " 1SG" and resid 49   and name HD2%)
      3.700     1.700     1.700 peak  1552 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      9.306 ppm2      1.018 CV     1
 ASSI { 1553}
   (( segid " 1SG" and resid 41   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD1%)
      3.100     1.200     1.200 peak  1553 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      9.307 ppm2      0.856 CV     1
 ASSI { 1554}
   (( segid " 1SG" and resid 41   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD2%)
      3.500     1.600     1.600 peak  1554 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      9.307 ppm2      0.688 CV     1
 ASSI { 1555}
   (( segid " 1SG" and resid 41   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG1%)
      3.100     1.200     1.200 peak  1555 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      9.308 ppm2     -0.081 CV     1
 ASSI { 1557}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 74   and name HB2 ))
      2.200     0.600     0.600 peak  1557 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      9.237 ppm2     -0.838 CV     1
 ASSI { 1560}
   (( segid " 1SG" and resid 76   and name HN  ))
   (  segid " 1SG" and resid 76   and name HD1%)
      3.300     1.300     1.300 peak  1560 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      8.926 ppm2      0.649 CV     1
 ASSI { 1561}
   (( segid " 1SG" and resid 76   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD1%)
      3.500     1.600     1.600 peak  1561 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      8.926 ppm2      0.405 CV     1
 ASSI { 1563}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 90   and name HB2 ))
      3.100     1.200     1.200 peak  1563 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      8.696 ppm2      2.025 CV     1
 ASSI { 1564}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 40   and name HD2 ))
      3.500     1.500     1.500 peak  1564 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      8.694 ppm2      1.685 CV     1
 OR { 1564}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 40   and name HD1 ))
 ASSI { 1565}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 40   and name HG2 ))
      2.400     0.700     0.700 peak  1565 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      8.694 ppm2      1.238 CV     1
 OR { 1565}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 40   and name HG1 ))
 ASSI { 1566}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 41   and name HH2 ))
      3.100     3.100     2.900 peak  1566 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      8.470 ppm2      6.611 CV     1
 ASSI { 1568}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 24   and name HB2 ))
      3.000     1.200     1.200 peak  1568 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      8.469 ppm2      2.408 CV     1
 ASSI { 1570}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 75   and name HN  ))
      3.300     1.400     1.400 peak  1570 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      8.471 ppm2      9.160 CV     1
 ASSI { 1572}
   (( segid " 1SG" and resid 8    and name HN  ))
   (  segid " 1SG" and resid 28   and name HG1%)
      3.200     1.300     1.300 peak  1572 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      9.052 ppm2      0.818 CV     1
 ASSI { 1573}
   (( segid " 1SG" and resid 8    and name HN  ))
   (  segid " 1SG" and resid 29   and name HB% )
      3.700     1.700     1.700 peak  1573 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      9.052 ppm2      1.513 CV     1
 ASSI { 1574}
   (( segid " 1SG" and resid 8    and name HN  ))
   (( segid " 1SG" and resid 7    and name HB2 ))
      3.500     1.500     1.500 peak  1574 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      9.052 ppm2      2.577 CV     1
 ASSI { 1576}
   (( segid " 1SG" and resid 87   and name HN  ))
   (  segid " 1SG" and resid 87   and name HE% )
      3.700     1.700     1.700 peak  1576 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      9.114 ppm2      6.589 CV     1
 ASSI { 1577}
   (( segid " 1SG" and resid 31   and name HN  ))
   (( segid " 1SG" and resid 29   and name HA  ))
      3.000     1.100     1.100 peak  1577 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      8.417 ppm2      4.392 CV     1
 ASSI { 1578}
   (( segid " 1SG" and resid 31   and name HN  ))
   (( segid " 1SG" and resid 30   and name HA1 ))
      2.500     0.800     0.800 peak  1578 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      8.418 ppm2      3.945 CV     1
 ASSI { 1579}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 62   and name HA  ))
      3.300     1.400     1.400 peak  1579 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      8.722 ppm2      4.598 CV     1
 ASSI { 1582}
   (( segid " 1SG" and resid 10   and name HN  ))
   (( segid " 1SG" and resid 9    and name HB2 ))
      3.400     1.500     1.500 peak  1582 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      8.852 ppm2      1.895 CV     1
 ASSI { 1583}
   (( segid " 1SG" and resid 10   and name HN  ))
   (( segid " 1SG" and resid 100  and name HB2 ))
      3.600     3.600     2.400 peak  1583 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      8.852 ppm2      2.963 CV     1
 ASSI { 1584}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (( segid " 1SG" and resid 41   and name HH2 ))
      3.500     1.500     1.500 peak  1584 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1     10.779 ppm2      6.612 CV     1
 ASSI { 1585}
   (( segid " 1SG" and resid 21   and name HN  ))
   (( segid " 1SG" and resid 21   and name HB2 ))
      3.000     1.100     1.100 peak  1585 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      8.170 ppm2      3.751 CV     1
 ASSI { 1587}
   (( segid " 1SG" and resid 23   and name HN  ))
   (  segid " 1SG" and resid 22   and name HG2%)
      3.300     1.400     1.400 peak  1587 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      7.913 ppm2      0.580 CV     1
 ASSI { 1588}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      2.600     0.900     0.900 peak  1588 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      9.673 ppm2      2.815 CV     1
 ASSI { 1589}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 37   and name HB2 ))
      3.000     1.100     1.100 peak  1589 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      7.892 ppm2      1.363 CV     1
 OR { 1589}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 37   and name HG2 ))
 ASSI { 1590}
   (( segid " 1SG" and resid 39   and name HN  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      3.300     1.300     1.300 peak  1590 spectrum    1 weight  0.10000E+01 volume  0.38505E-02 ppm1      7.893 ppm2      0.175 CV     1
 ASSI { 1592}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 93   and name HB  ))
      2.700     0.900     0.900 peak  1592 spectrum    1 weight  0.10000E+01 volume  0.38563E-02 ppm1      7.547 ppm2      4.555 CV     1
 ASSI { 1593}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 95   and name HB2 ))
      3.400     1.500     1.500 peak  1593 spectrum    1 weight  0.10000E+01 volume  0.38563E-02 ppm1      7.546 ppm2      2.632 CV     1
 ASSI { 1595}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 95   and name HA  ))
      2.900     1.000     1.000 peak  1595 spectrum    1 weight  0.10000E+01 volume  0.38563E-02 ppm1      7.548 ppm2      4.750 CV     1
 ASSI { 1596}
   (( segid " 1SG" and resid 98   and name HN  ))
   (( segid " 1SG" and resid 7    and name HB2 ))
      3.200     3.200     2.800 peak  1596 spectrum    1 weight  0.10000E+01 volume  0.38563E-02 ppm1      8.415 ppm2      2.581 CV     1
 ASSI { 1597}
   (( segid " 1SG" and resid 101  and name HN  ))
   (( segid " 1SG" and resid 100  and name HB2 ))
      2.600     0.800     0.800 peak  1597 spectrum    1 weight  0.10000E+01 volume  0.38563E-02 ppm1      9.044 ppm2      2.950 CV     1
 ASSI { 1598}
   (( segid " 1SG" and resid 105  and name HN  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      3.100     3.100     2.900 peak  1598 spectrum    1 weight  0.10000E+01 volume  0.38563E-02 ppm1      8.401 ppm2      1.492 CV     1
 ASSI { 1599}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 15   and name HG2 ))
      3.100     1.200     1.200 peak  1599 spectrum    1 weight  0.10000E+01 volume  0.38563E-02 ppm1      8.404 ppm2      2.261 CV     1
 OR { 1599}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 15   and name HG1 ))
 ASSI { 1600}
   (( segid " 1SG" and resid 98   and name HN  ))
   (( segid " 1SG" and resid 91   and name HA  ))
      2.200     2.200     3.800 peak  1600 spectrum    1 weight  0.10000E+01 volume  0.38563E-02 ppm1      8.399 ppm2      4.758 CV     1
 ASSI { 1602}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 105  and name HB  ))
      3.100     1.200     1.200 peak  1602 spectrum    1 weight  0.10000E+01 volume  0.38563E-02 ppm1      8.150 ppm2      3.935 CV     1
 ASSI { 1603}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 106  and name HB  ))
      3.600     1.600     1.600 peak  1603 spectrum    1 weight  0.10000E+01 volume  0.38563E-02 ppm1      8.820 ppm2      1.850 CV     1
 ASSI { 1605}
   (( segid " 1SG" and resid 38   and name HN  ))
   (  segid " 1SG" and resid 38   and name HG2%)
      2.900     1.100     1.100 peak  1605 spectrum    1 weight  0.10000E+01 volume  0.38563E-02 ppm1      8.373 ppm2      0.790 CV     1
 ASSI { 1606}
   (( segid " 1SG" and resid 19   and name HN  ))
   (( segid " 1SG" and resid 19   and name HA2 ))
      2.600     0.900     0.900 peak  1606 spectrum    1 weight  0.10000E+01 volume  0.38563E-02 ppm1      9.828 ppm2      4.311 CV     1
 ASSI { 1608}
   (( segid " 1SG" and resid 85   and name HN  ))
   (  segid " 1SG" and resid 87   and name HD% )
      3.300     3.300     2.700 peak  1608 spectrum    1 weight  0.10000E+01 volume  0.38563E-02 ppm1      9.409 ppm2      6.792 CV     1
 ASSI { 1609}
   (( segid " 1SG" and resid 101  and name HD21))
   (( segid " 1SG" and resid 101  and name HB2 ))
      2.800     1.000     1.000 peak  1609 spectrum    1 weight  0.10000E+01 volume  0.38563E-02 ppm1      7.436 ppm2      2.696 CV     1
 ASSI { 1613}
   (( segid " 1SG" and resid 28   and name HN  ))
   (  segid " 1SG" and resid 72   and name HD% )
      2.900     1.100     1.100 peak  1613 spectrum    1 weight  0.10000E+01 volume  0.38583E-02 ppm1      9.673 ppm2      7.309 CV     1
 ASSI { 1614}
   (( segid " 1SG" and resid 68   and name HN  ))
   (( segid " 1SG" and resid 66   and name HA  ))
      3.300     1.400     1.400 peak  1614 spectrum    1 weight  0.10000E+01 volume  0.38563E-02 ppm1      7.876 ppm2      4.125 CV     1
 ASSI {    1}
   (( segid " 1SG" and resid 43   and name HD2 ))
   (( segid " 1SG" and resid 43   and name HG2 ))
      2.100     0.600     0.600 peak     1 spectrum    1 weight  0.10000E+01 volume  0.95393E-02 ppm1      1.317 ppm2      0.086 CV     1
 OR {    1}
   (( segid " 1SG" and resid 43   and name HD1 ))
   (( segid " 1SG" and resid 43   and name HG2 ))
 ASSI {    2}
   (( segid " 1SG" and resid 41   and name HA  ))
   (( segid " 1SG" and resid 89   and name HA  ))
      2.000     0.500     0.500 peak     2 spectrum    1 weight  0.10000E+01 volume  0.95425E-02 ppm1      5.478 ppm2      4.971 CV     1
 ASSI {   16}
   (( segid " 1SG" and resid 65   and name HG1 ))
   (( segid " 1SG" and resid 65   and name HB1 ))
      2.100     0.500     0.500 peak    16 spectrum    1 weight  0.10000E+01 volume  0.95473E-02 ppm1      1.688 ppm2      1.765 CV     1
 OR {   16}
   (( segid " 1SG" and resid 65   and name HG2 ))
   (( segid " 1SG" and resid 65   and name HB2 ))
 OR {   16}
   (( segid " 1SG" and resid 65   and name HG2 ))
   (( segid " 1SG" and resid 65   and name HB1 ))
 OR {   16}
   (( segid " 1SG" and resid 65   and name HG1 ))
   (( segid " 1SG" and resid 65   and name HB2 ))
 ASSI {   41}
   (( segid " 1SG" and resid 41   and name HA  ))
   (( segid " 1SG" and resid 90   and name HB2 ))
      2.400     2.400     3.600 peak    41 spectrum    1 weight  0.10000E+01 volume  0.94123E-02 ppm1      5.495 ppm2      2.057 CV     1
 ASSI {   98}
   (( segid " 1SG" and resid 87   and name HA  ))
   (( segid " 1SG" and resid 43   and name HA  ))
      2.000     0.500     0.500 peak    98 spectrum    1 weight  0.10000E+01 volume  0.94123E-02 ppm1      4.980 ppm2      4.145 CV     1
 ASSI {  113}
   (( segid " 1SG" and resid 61   and name HA  ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      2.500     2.500     3.500 peak   113 spectrum    1 weight  0.10000E+01 volume  0.94123E-02 ppm1      5.518 ppm2      2.821 CV     1
 ASSI {  131}
   (( segid " 1SG" and resid 1    and name HA  ))
   (( segid " 1SG" and resid 97   and name HB2 ))
      2.300     2.300     3.700 peak   131 spectrum    1 weight  0.10000E+01 volume  0.94279E-02 ppm1      4.624 ppm2      2.693 CV     1
 ASSI {  155}
   (( segid " 1SG" and resid 9    and name HA  ))
   (( segid " 1SG" and resid 9    and name HG2 ))
      2.300     0.700     0.700 peak   155 spectrum    1 weight  0.10000E+01 volume  0.94279E-02 ppm1      4.653 ppm2      2.522 CV     1
 ASSI {  159}
   (  segid " 1SG" and resid 93   and name HG2%)
   (( segid " 1SG" and resid 37   and name HA  ))
      1.900     0.500     0.500 peak   159 spectrum    1 weight  0.10000E+01 volume  0.95243E-02 ppm1      1.041 ppm2      4.505 CV     1
 ASSI {  174}
   (( segid " 1SG" and resid 72   and name HB2 ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      2.000     2.000     4.000 peak   174 spectrum    1 weight  0.10000E+01 volume  0.26155E-01 ppm1      2.926 ppm2      2.791 CV     1
 ASSI {  175}
   (( segid " 1SG" and resid 32   and name HA  ))
   (( segid " 1SG" and resid 32   and name HB2 ))
      2.200     0.600     0.600 peak   175 spectrum    1 weight  0.10000E+01 volume  0.94279E-02 ppm1      4.518 ppm2      3.914 CV     1
 OR {  175}
   (( segid " 1SG" and resid 32   and name HA  ))
   (( segid " 1SG" and resid 32   and name HB1 ))
 ASSI {  183}
   (( segid " 1SG" and resid 74   and name HA  ))
   (( segid " 1SG" and resid 59   and name HA  ))
      2.000     0.500     0.500 peak   183 spectrum    1 weight  0.10000E+01 volume  0.94279E-02 ppm1      4.344 ppm2      5.189 CV     1
 ASSI {  185}
   (( segid " 1SG" and resid 74   and name HA  ))
   (  segid " 1SG" and resid 74   and name HD1%)
      2.000     0.500     0.500 peak   185 spectrum    1 weight  0.10000E+01 volume  0.94279E-02 ppm1      4.326 ppm2      0.405 CV     1
 OR {  185}
   (( segid " 1SG" and resid 74   and name HA  ))
   (  segid " 1SG" and resid 74   and name HD2%)
 ASSI {  194}
   (( segid " 1SG" and resid 34   and name HA  ))
   (( segid " 1SG" and resid 34   and name HG  ))
      2.200     0.600     0.600 peak   194 spectrum    1 weight  0.10000E+01 volume  0.94316E-02 ppm1      4.298 ppm2      0.929 CV     1
 ASSI {  218}
   (( segid " 1SG" and resid 94   and name HD1 ))
   (( segid " 1SG" and resid 94   and name HG1 ))
      1.600     0.300     0.600 peak   218 spectrum    1 weight  0.10000E+01 volume  0.22111E-01 ppm1      1.680 ppm2      1.415 CV     1
 OR {  218}
   (( segid " 1SG" and resid 94   and name HD2 ))
   (( segid " 1SG" and resid 94   and name HG2 ))
 OR {  218}
   (( segid " 1SG" and resid 94   and name HD1 ))
   (( segid " 1SG" and resid 94   and name HG2 ))
 OR {  218}
   (( segid " 1SG" and resid 94   and name HD2 ))
   (( segid " 1SG" and resid 94   and name HG1 ))
 ASSI {  226}
   (( segid " 1SG" and resid 17   and name HA  ))
   (( segid " 1SG" and resid 107  and name HB1 ))
      2.000     0.500     0.500 peak   226 spectrum    1 weight  0.10000E+01 volume  0.94380E-02 ppm1      4.795 ppm2      3.074 CV     1
 OR {  226}
   (( segid " 1SG" and resid 17   and name HA  ))
   (( segid " 1SG" and resid 107  and name HB2 ))
 ASSI {  253}
   (( segid " 1SG" and resid 55   and name HG1 ))
   (( segid " 1SG" and resid 55   and name HB2 ))
      2.000     0.500     0.500 peak   253 spectrum    1 weight  0.10000E+01 volume  0.18302E-01 ppm1      1.989 ppm2      1.788 CV     1
 OR {  253}
   (( segid " 1SG" and resid 55   and name HG2 ))
   (( segid " 1SG" and resid 55   and name HB2 ))
 ASSI {  275}
   (( segid " 1SG" and resid 81   and name HB2 ))
   (( segid " 1SG" and resid 81   and name HA  ))
      2.200     0.600     0.600 peak   275 spectrum    1 weight  0.10000E+01 volume  0.94445E-02 ppm1      1.927 ppm2      4.000 CV     1
 ASSI {  282}
   (  segid " 1SG" and resid 84   and name HG2%)
   (( segid " 1SG" and resid 84   and name HB  ))
      2.000     0.500     0.500 peak   282 spectrum    1 weight  0.10000E+01 volume  0.15579E-01 ppm1      1.497 ppm2      4.224 CV     1
 OR {  282}
   (  segid " 1SG" and resid 84   and name HG2%)
   (( segid " 1SG" and resid 84   and name HA  ))
 ASSI {  301}
   (( segid " 1SG" and resid 37   and name HD2 ))
   (  segid " 1SG" and resid 31   and name HB% )
      2.700     2.700     3.300 peak   301 spectrum    1 weight  0.10000E+01 volume  0.94477E-02 ppm1      2.366 ppm2      1.544 CV     1
 ASSI {  302}
   (  segid " 1SG" and resid 4    and name HD1%)
   (( segid " 1SG" and resid 4    and name HB  ))
      1.900     0.500     0.500 peak   302 spectrum    1 weight  0.10000E+01 volume  0.94477E-02 ppm1      0.966 ppm2      2.051 CV     1
 ASSI {  313}
   (  segid " 1SG" and resid 66   and name HB% )
   (( segid " 1SG" and resid 66   and name HA  ))
      2.100     0.500     0.500 peak   313 spectrum    1 weight  0.10000E+01 volume  0.13129E-01 ppm1      1.419 ppm2      4.132 CV     1
 ASSI {  328}
   (( segid " 1SG" and resid 34   and name HG  ))
   (  segid " 1SG" and resid 34   and name HD1%)
      2.100     0.600     0.600 peak   328 spectrum    1 weight  0.10000E+01 volume  0.94643E-02 ppm1      0.934 ppm2      0.862 CV     1
 OR {  328}
   (( segid " 1SG" and resid 34   and name HG  ))
   (  segid " 1SG" and resid 34   and name HD2%)
 ASSI {  335}
   (( segid " 1SG" and resid 3    and name HB1 ))
   (( segid " 1SG" and resid 4    and name HB  ))
      2.500     2.500     3.500 peak   335 spectrum    1 weight  0.10000E+01 volume  0.11957E-01 ppm1      2.299 ppm2      2.004 CV     1
 OR {  335}
   (( segid " 1SG" and resid 3    and name HB2 ))
   (( segid " 1SG" and resid 4    and name HB  ))
 ASSI {  336}
   (( segid " 1SG" and resid 68   and name HD1 ))
   (( segid " 1SG" and resid 68   and name HB2 ))
      2.100     0.600     0.600 peak   336 spectrum    1 weight  0.10000E+01 volume  0.94643E-02 ppm1      1.673 ppm2      1.771 CV     1
 OR {  336}
   (( segid " 1SG" and resid 68   and name HD2 ))
   (( segid " 1SG" and resid 68   and name HB2 ))
 ASSI {  342}
   (( segid " 1SG" and resid 36   and name HB2 ))
   (( segid " 1SG" and resid 36   and name HD2 ))
      2.200     2.200     3.800 peak   342 spectrum    1 weight  0.10000E+01 volume  0.94643E-02 ppm1      1.641 ppm2      3.510 CV     1
 ASSI {  345}
   (  segid " 1SG" and resid 69   and name HG1%)
   (( segid " 1SG" and resid 69   and name HB  ))
      2.000     0.500     0.500 peak   345 spectrum    1 weight  0.10000E+01 volume  0.11689E-01 ppm1      0.862 ppm2      1.752 CV     1
 OR {  345}
   (  segid " 1SG" and resid 69   and name HG2%)
   (( segid " 1SG" and resid 69   and name HB  ))
 ASSI {  349}
   (  segid " 1SG" and resid 82   and name HB% )
   (( segid " 1SG" and resid 82   and name HA  ))
      2.100     0.600     0.600 peak   349 spectrum    1 weight  0.10000E+01 volume  0.11445E-01 ppm1      1.321 ppm2      4.210 CV     1
 ASSI {  354}
   (( segid " 1SG" and resid 21   and name HB2 ))
   (( segid " 1SG" and resid 23   and name HB  ))
      2.200     2.200     3.800 peak   354 spectrum    1 weight  0.10000E+01 volume  0.11305E-01 ppm1      3.720 ppm2      3.604 CV     1
 ASSI {  356}
   (( segid " 1SG" and resid 104  and name HG  ))
   (( segid " 1SG" and resid 104  and name HB2 ))
      2.100     2.100     3.900 peak   356 spectrum    1 weight  0.10000E+01 volume  0.94643E-02 ppm1      1.339 ppm2      1.226 CV     1
 ASSI {  358}
   (( segid " 1SG" and resid 65   and name HD1 ))
   (( segid " 1SG" and resid 65   and name HG1 ))
      2.000     0.500     0.500 peak   358 spectrum    1 weight  0.10000E+01 volume  0.11183E-01 ppm1      3.238 ppm2      1.683 CV     1
 OR {  358}
   (( segid " 1SG" and resid 65   and name HD2 ))
   (( segid " 1SG" and resid 65   and name HG2 ))
 OR {  358}
   (( segid " 1SG" and resid 65   and name HD2 ))
   (( segid " 1SG" and resid 65   and name HG1 ))
 OR {  358}
   (( segid " 1SG" and resid 65   and name HD1 ))
   (( segid " 1SG" and resid 65   and name HG2 ))
 ASSI {  359}
   (( segid " 1SG" and resid 104  and name HG  ))
   (  segid " 1SG" and resid 104  and name HD2%)
      2.000     0.500     0.500 peak   359 spectrum    1 weight  0.10000E+01 volume  0.94643E-02 ppm1      1.342 ppm2      0.832 CV     1
 ASSI {  363}
   (  segid " 1SG" and resid 8    and name HG1%)
   (( segid " 1SG" and resid 8    and name HB  ))
      2.000     0.500     0.500 peak   363 spectrum    1 weight  0.10000E+01 volume  0.11046E-01 ppm1      0.979 ppm2      1.824 CV     1
 OR {  363}
   (  segid " 1SG" and resid 8    and name HG2%)
   (( segid " 1SG" and resid 8    and name HB  ))
 ASSI {  367}
   (  segid " 1SG" and resid 28   and name HG1%)
   (  segid " 1SG" and resid 6    and name HD1%)
      2.100     0.600     0.600 peak   367 spectrum    1 weight  0.10000E+01 volume  0.10975E-01 ppm1      0.815 ppm2      0.666 CV     1
 ASSI {  375}
   (( segid " 1SG" and resid 4    and name HG12))
   (  segid " 1SG" and resid 4    and name HG2%)
      1.900     0.500     0.500 peak   375 spectrum    1 weight  0.10000E+01 volume  0.94643E-02 ppm1      1.245 ppm2      0.917 CV     1
 ASSI {  377}
   (  segid " 1SG" and resid 71   and name HD2%)
   (  segid " 1SG" and resid 71   and name HD1%)
      2.100     0.600     0.600 peak   377 spectrum    1 weight  0.10000E+01 volume  0.10709E-01 ppm1      0.746 ppm2      0.857 CV     1
 ASSI {  384}
   (( segid " 1SG" and resid 81   and name HD2 ))
   (  segid " 1SG" and resid 18   and name HG1%)
      2.800     1.000     1.000 peak   384 spectrum    1 weight  0.10000E+01 volume  0.94675E-02 ppm1      3.587 ppm2      0.967 CV     1
 OR {  384}
   (( segid " 1SG" and resid 81   and name HD2 ))
   (  segid " 1SG" and resid 18   and name HG2%)
 ASSI {  388}
   (( segid " 1SG" and resid 34   and name HG  ))
   (( segid " 1SG" and resid 34   and name HB1 ))
      2.100     0.500     0.500 peak   388 spectrum    1 weight  0.10000E+01 volume  0.10382E-01 ppm1      0.935 ppm2      1.675 CV     1
 OR {  388}
   (( segid " 1SG" and resid 34   and name HG  ))
   (( segid " 1SG" and resid 34   and name HB2 ))
 ASSI {  403}
   (  segid " 1SG" and resid 34   and name HD2%)
   (( segid " 1SG" and resid 34   and name HB1 ))
      2.200     0.600     0.600 peak   403 spectrum    1 weight  0.10000E+01 volume  0.10121E-01 ppm1      0.863 ppm2      1.651 CV     1
 OR {  403}
   (  segid " 1SG" and resid 34   and name HD1%)
   (( segid " 1SG" and resid 34   and name HB2 ))
 OR {  403}
   (  segid " 1SG" and resid 34   and name HD2%)
   (( segid " 1SG" and resid 34   and name HB2 ))
 OR {  403}
   (  segid " 1SG" and resid 34   and name HD1%)
   (( segid " 1SG" and resid 34   and name HB1 ))
 ASSI {  404}
   (  segid " 1SG" and resid 33   and name HD1%)
   (( segid " 1SG" and resid 33   and name HB2 ))
      2.200     0.600     0.600 peak   404 spectrum    1 weight  0.10000E+01 volume  0.10071E-01 ppm1      0.873 ppm2      1.725 CV     1
 OR {  404}
   (  segid " 1SG" and resid 33   and name HD2%)
   (( segid " 1SG" and resid 33   and name HB2 ))
 ASSI {  405}
   (( segid " 1SG" and resid 96   and name HB2 ))
   (  segid " 1SG" and resid 6    and name HD2%)
      2.400     0.700     0.700 peak   405 spectrum    1 weight  0.10000E+01 volume  0.94675E-02 ppm1      1.583 ppm2      0.481 CV     1
 ASSI {  414}
   (( segid " 1SG" and resid 33   and name HB2 ))
   (( segid " 1SG" and resid 33   and name HG  ))
      1.900     0.400     0.400 peak   414 spectrum    1 weight  0.10000E+01 volume  0.94804E-02 ppm1      1.739 ppm2      0.923 CV     1
 ASSI {  415}
   (  segid " 1SG" and resid 31   and name HB% )
   (( segid " 1SG" and resid 31   and name HA  ))
      2.100     0.500     0.500 peak   415 spectrum    1 weight  0.10000E+01 volume  0.98849E-02 ppm1      1.537 ppm2      4.174 CV     1
 ASSI {  416}
   (( segid " 1SG" and resid 2    and name HB2 ))
   (( segid " 1SG" and resid 1    and name HB2 ))
      2.600     2.600     3.400 peak   416 spectrum    1 weight  0.10000E+01 volume  0.94804E-02 ppm1      2.691 ppm2      2.601 CV     1
 ASSI {  419}
   (( segid " 1SG" and resid 1    and name HB2 ))
   (( segid " 1SG" and resid 97   and name HB2 ))
      2.600     2.600     3.400 peak   419 spectrum    1 weight  0.10000E+01 volume  0.94804E-02 ppm1      2.599 ppm2      2.691 CV     1
 ASSI {  420}
   (  segid " 1SG" and resid 105  and name HG2%)
   (( segid " 1SG" and resid 105  and name HB  ))
      2.100     0.600     0.600 peak   420 spectrum    1 weight  0.10000E+01 volume  0.97552E-02 ppm1      0.923 ppm2      3.904 CV     1
 ASSI {  425}
   (  segid " 1SG" and resid 76   and name HD1%)
   (  segid " 1SG" and resid 76   and name HG2%)
      2.000     0.500     0.500 peak   425 spectrum    1 weight  0.10000E+01 volume  0.96079E-02 ppm1      0.678 ppm2      0.829 CV     1
 ASSI {  427}
   (  segid " 1SG" and resid 59   and name HD1%)
   (  segid " 1SG" and resid 59   and name HD2%)
      2.100     0.500     0.500 peak   427 spectrum    1 weight  0.10000E+01 volume  0.95339E-02 ppm1      0.863 ppm2      0.716 CV     1
 ASSI {  435}
   (( segid " 1SG" and resid 94   and name HE2 ))
   (( segid " 1SG" and resid 94   and name HD1 ))
      1.900     0.500     0.500 peak   435 spectrum    1 weight  0.10000E+01 volume  0.93523E-02 ppm1      2.967 ppm2      1.689 CV     1
 OR {  435}
   (( segid " 1SG" and resid 94   and name HE1 ))
   (( segid " 1SG" and resid 94   and name HD2 ))
 OR {  435}
   (( segid " 1SG" and resid 94   and name HE2 ))
   (( segid " 1SG" and resid 94   and name HD2 ))
 OR {  435}
   (( segid " 1SG" and resid 94   and name HE1 ))
   (( segid " 1SG" and resid 94   and name HD1 ))
 ASSI {  438}
   (( segid " 1SG" and resid 108  and name HG2 ))
   (  segid " 1SG" and resid 18   and name HG2%)
      2.200     0.600     0.600 peak   438 spectrum    1 weight  0.10000E+01 volume  0.94954E-02 ppm1      2.209 ppm2      0.961 CV     1
 OR {  438}
   (( segid " 1SG" and resid 108  and name HG1 ))
   (  segid " 1SG" and resid 18   and name HG2%)
 ASSI {  443}
   (  segid " 1SG" and resid 106  and name HG2%)
   (  segid " 1SG" and resid 106  and name HG1%)
      2.100     0.600     0.600 peak   443 spectrum    1 weight  0.10000E+01 volume  0.91091E-02 ppm1      0.390 ppm2      0.692 CV     1
 ASSI {  458}
   (  segid " 1SG" and resid 23   and name HG2%)
   (( segid " 1SG" and resid 23   and name HB  ))
      2.200     0.600     0.600 peak   458 spectrum    1 weight  0.10000E+01 volume  0.88256E-02 ppm1      0.783 ppm2      3.578 CV     1
 ASSI {  460}
   (( segid " 1SG" and resid 50   and name HB2 ))
   (( segid " 1SG" and resid 50   and name HA  ))
      2.100     0.500     0.500 peak   460 spectrum    1 weight  0.10000E+01 volume  0.94954E-02 ppm1      4.031 ppm2      3.944 CV     1
 ASSI {  463}
   (( segid " 1SG" and resid 35   and name HE1 ))
   (( segid " 1SG" and resid 35   and name HD2 ))
      2.100     0.600     0.600 peak   463 spectrum    1 weight  0.10000E+01 volume  0.86167E-02 ppm1      2.950 ppm2      1.649 CV     1
 OR {  463}
   (( segid " 1SG" and resid 35   and name HE2 ))
   (( segid " 1SG" and resid 35   and name HD1 ))
 OR {  463}
   (( segid " 1SG" and resid 35   and name HE1 ))
   (( segid " 1SG" and resid 35   and name HD1 ))
 OR {  463}
   (( segid " 1SG" and resid 35   and name HE2 ))
   (( segid " 1SG" and resid 35   and name HD2 ))
 ASSI {  464}
   (( segid " 1SG" and resid 4    and name HA  ))
   (  segid " 1SG" and resid 4    and name HG2%)
      2.100     0.600     0.600 peak   464 spectrum    1 weight  0.10000E+01 volume  0.94954E-02 ppm1      4.027 ppm2      0.915 CV     1
 ASSI {  478}
   (  segid " 1SG" and resid 84   and name HG2%)
   (( segid " 1SG" and resid 105  and name HA  ))
      2.200     0.600     0.600 peak   478 spectrum    1 weight  0.10000E+01 volume  0.82995E-02 ppm1      1.498 ppm2      4.518 CV     1
 ASSI {  480}
   (( segid " 1SG" and resid 17   and name HB  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      2.200     0.600     0.600 peak   480 spectrum    1 weight  0.10000E+01 volume  0.82700E-02 ppm1      4.089 ppm2      1.298 CV     1
 ASSI {  482}
   (  segid " 1SG" and resid 34   and name HD1%)
   (( segid " 1SG" and resid 34   and name HA  ))
      2.300     0.600     0.600 peak   482 spectrum    1 weight  0.10000E+01 volume  0.82159E-02 ppm1      0.863 ppm2      4.298 CV     1
 OR {  482}
   (  segid " 1SG" and resid 34   and name HD2%)
   (( segid " 1SG" and resid 34   and name HA  ))
 ASSI {  483}
   (  segid " 1SG" and resid 104  and name HD1%)
   (  segid " 1SG" and resid 16   and name HG2%)
      2.000     0.500     0.500 peak   483 spectrum    1 weight  0.10000E+01 volume  0.82089E-02 ppm1      0.982 ppm2      0.618 CV     1
 ASSI {  485}
   (  segid " 1SG" and resid 6    and name HD1%)
   (  segid " 1SG" and resid 6    and name HD2%)
      2.100     0.500     0.500 peak   485 spectrum    1 weight  0.10000E+01 volume  0.81403E-02 ppm1      0.674 ppm2      0.488 CV     1
 ASSI {  492}
   (  segid " 1SG" and resid 18   and name HG2%)
   (  segid " 1SG" and resid 106  and name HG2%)
      2.000     0.500     0.500 peak   492 spectrum    1 weight  0.10000E+01 volume  0.80493E-02 ppm1      0.966 ppm2      0.388 CV     1
 ASSI {  500}
   (( segid " 1SG" and resid 49   and name HG  ))
   (  segid " 1SG" and resid 49   and name HD1%)
      1.900     0.500     0.500 peak   500 spectrum    1 weight  0.10000E+01 volume  0.95425E-02 ppm1      0.799 ppm2      1.765 CV     1
 ASSI {  501}
   (  segid " 1SG" and resid 91   and name HG2%)
   (( segid " 1SG" and resid 37   and name HB2 ))
      2.100     0.600     0.600 peak   501 spectrum    1 weight  0.10000E+01 volume  0.94997E-02 ppm1      0.184 ppm2      1.380 CV     1
 OR {  501}
   (  segid " 1SG" and resid 91   and name HG2%)
   (( segid " 1SG" and resid 37   and name HG2 ))
 OR {  501}
   (  segid " 1SG" and resid 91   and name HG1%)
   (( segid " 1SG" and resid 37   and name HB2 ))
 ASSI {  504}
   (  segid " 1SG" and resid 69   and name HG1%)
   (( segid " 1SG" and resid 69   and name HA  ))
      2.100     0.600     0.600 peak   504 spectrum    1 weight  0.10000E+01 volume  0.78783E-02 ppm1      0.862 ppm2      4.593 CV     1
 OR {  504}
   (  segid " 1SG" and resid 69   and name HG2%)
   (( segid " 1SG" and resid 69   and name HA  ))
 ASSI {  507}
   (  segid " 1SG" and resid 38   and name HG1%)
   (( segid " 1SG" and resid 38   and name HB  ))
      2.200     0.600     0.600 peak   507 spectrum    1 weight  0.10000E+01 volume  0.78403E-02 ppm1      0.828 ppm2      1.896 CV     1
 OR {  507}
   (  segid " 1SG" and resid 38   and name HG2%)
   (( segid " 1SG" and resid 38   and name HB  ))
 ASSI {  511}
   (( segid " 1SG" and resid 77   and name HB  ))
   (  segid " 1SG" and resid 77   and name HG2%)
      2.200     0.600     0.600 peak   511 spectrum    1 weight  0.10000E+01 volume  0.78146E-02 ppm1      4.025 ppm2      1.045 CV     1
 ASSI {  515}
   (  segid " 1SG" and resid 47   and name HG2%)
   (  segid " 1SG" and resid 47   and name HG1%)
      2.200     0.600     0.600 peak   515 spectrum    1 weight  0.10000E+01 volume  0.77814E-02 ppm1      0.794 ppm2      0.992 CV     1
 ASSI {  522}
   (  segid " 1SG" and resid 39   and name HG1%)
   (  segid " 1SG" and resid 39   and name HG2%)
      2.200     0.600     0.600 peak   522 spectrum    1 weight  0.10000E+01 volume  0.76758E-02 ppm1     -0.062 ppm2     -0.447 CV     1
 ASSI {  524}
   (( segid " 1SG" and resid 52   and name HD2 ))
   (( segid " 1SG" and resid 52   and name HG2 ))
      2.100     0.500     0.500 peak   524 spectrum    1 weight  0.10000E+01 volume  0.76479E-02 ppm1      1.579 ppm2      1.341 CV     1
 OR {  524}
   (( segid " 1SG" and resid 52   and name HD2 ))
   (( segid " 1SG" and resid 52   and name HG1 ))
 OR {  524}
   (( segid " 1SG" and resid 52   and name HD1 ))
   (( segid " 1SG" and resid 52   and name HG2 ))
 OR {  524}
   (( segid " 1SG" and resid 52   and name HD1 ))
   (( segid " 1SG" and resid 52   and name HG1 ))
 ASSI {  527}
   (( segid " 1SG" and resid 49   and name HG  ))
   (  segid " 1SG" and resid 59   and name HD1%)
      2.600     2.600     3.400 peak   527 spectrum    1 weight  0.10000E+01 volume  0.95029E-02 ppm1      0.848 ppm2      0.850 CV     1
 ASSI {  528}
   (( segid " 1SG" and resid 49   and name HG  ))
   (( segid " 1SG" and resid 49   and name HB2 ))
      2.100     2.100     3.900 peak   528 spectrum    1 weight  0.10000E+01 volume  0.95029E-02 ppm1      0.849 ppm2      1.542 CV     1
 ASSI {  536}
   (  segid " 1SG" and resid 38   and name HG2%)
   (( segid " 1SG" and resid 38   and name HA  ))
      2.300     0.600     0.600 peak   536 spectrum    1 weight  0.10000E+01 volume  0.75478E-02 ppm1      0.835 ppm2      3.900 CV     1
 OR {  536}
   (  segid " 1SG" and resid 38   and name HG1%)
   (( segid " 1SG" and resid 38   and name HA  ))
 ASSI {  541}
   (  segid " 1SG" and resid 59   and name HD2%)
   (  segid " 1SG" and resid 74   and name HD2%)
      2.400     0.700     0.700 peak   541 spectrum    1 weight  0.10000E+01 volume  0.75344E-02 ppm1      0.714 ppm2      0.412 CV     1
 OR {  541}
   (  segid " 1SG" and resid 59   and name HD2%)
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI {  544}
   (( segid " 1SG" and resid 54   and name HA1 ))
   (( segid " 1SG" and resid 54   and name HA2 ))
      2.000     0.500     0.500 peak   544 spectrum    1 weight  0.10000E+01 volume  0.75204E-02 ppm1      3.915 ppm2      4.302 CV     1
 ASSI {  548}
   (  segid " 1SG" and resid 28   and name HG1%)
   (  segid " 1SG" and resid 29   and name HB% )
      2.500     0.800     0.800 peak   548 spectrum    1 weight  0.10000E+01 volume  0.95029E-02 ppm1      0.819 ppm2      1.521 CV     1
 ASSI {  557}
   (  segid " 1SG" and resid 59   and name HD1%)
   (  segid " 1SG" and resid 57   and name HD2%)
      3.000     1.200     1.200 peak   557 spectrum    1 weight  0.10000E+01 volume  0.73329E-02 ppm1      0.824 ppm2      0.604 CV     1
 OR {  557}
   (  segid " 1SG" and resid 59   and name HD1%)
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI {  558}
   (  segid " 1SG" and resid 29   and name HB% )
   (( segid " 1SG" and resid 29   and name HA  ))
      2.100     0.600     0.600 peak   558 spectrum    1 weight  0.10000E+01 volume  0.73088E-02 ppm1      1.520 ppm2      4.393 CV     1
 ASSI {  563}
   (  segid " 1SG" and resid 104  and name HD2%)
   (  segid " 1SG" and resid 106  and name HG1%)
      2.300     0.700     0.700 peak   563 spectrum    1 weight  0.10000E+01 volume  0.71904E-02 ppm1      0.837 ppm2      0.684 CV     1
 ASSI {  571}
   (  segid " 1SG" and resid 93   and name HG2%)
   (( segid " 1SG" and resid 93   and name HB  ))
      2.100     0.500     0.500 peak   571 spectrum    1 weight  0.10000E+01 volume  0.71175E-02 ppm1      1.040 ppm2      4.557 CV     1
 ASSI {  572}
   (  segid " 1SG" and resid 104  and name HD2%)
   (  segid " 1SG" and resid 104  and name HD1%)
      2.100     0.600     0.600 peak   572 spectrum    1 weight  0.10000E+01 volume  0.70896E-02 ppm1      0.836 ppm2      0.981 CV     1
 ASSI {  574}
   (  segid " 1SG" and resid 53   and name HG2%)
   (( segid " 1SG" and resid 53   and name HB  ))
      2.200     0.600     0.600 peak   574 spectrum    1 weight  0.10000E+01 volume  0.70548E-02 ppm1      1.080 ppm2      2.129 CV     1
 OR {  574}
   (  segid " 1SG" and resid 53   and name HG1%)
   (( segid " 1SG" and resid 53   and name HB  ))
 ASSI {  581}
   (( segid " 1SG" and resid 67   and name HB2 ))
   (( segid " 1SG" and resid 67   and name HA  ))
      2.300     0.700     0.700 peak   581 spectrum    1 weight  0.10000E+01 volume  0.69648E-02 ppm1      3.729 ppm2      4.301 CV     1
 OR {  581}
   (( segid " 1SG" and resid 67   and name HB1 ))
   (( segid " 1SG" and resid 67   and name HA  ))
 ASSI {  582}
   (( segid " 1SG" and resid 53   and name HB  ))
   (  segid " 1SG" and resid 53   and name HG1%)
      2.200     0.600     0.600 peak   582 spectrum    1 weight  0.10000E+01 volume  0.69595E-02 ppm1      2.134 ppm2      1.116 CV     1
 ASSI {  589}
   (  segid " 1SG" and resid 76   and name HG2%)
   (  segid " 1SG" and resid 57   and name HD1%)
      2.500     0.800     0.800 peak   589 spectrum    1 weight  0.10000E+01 volume  0.95093E-02 ppm1      0.826 ppm2      0.616 CV     1
 OR {  589}
   (  segid " 1SG" and resid 76   and name HG2%)
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI {  592}
   (( segid " 1SG" and resid 53   and name HB  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      2.100     0.500     0.500 peak   592 spectrum    1 weight  0.10000E+01 volume  0.68512E-02 ppm1      2.134 ppm2      1.084 CV     1
 ASSI {  594}
   (  segid " 1SG" and resid 76   and name HD1%)
   (  segid " 1SG" and resid 74   and name HD1%)
      1.900     0.400     0.400 peak   594 spectrum    1 weight  0.10000E+01 volume  0.95093E-02 ppm1      0.676 ppm2      0.417 CV     1
 ASSI {  604}
   (( segid " 1SG" and resid 85   and name HA1 ))
   (( segid " 1SG" and resid 85   and name HA2 ))
      1.900     0.400     0.400 peak   604 spectrum    1 weight  0.10000E+01 volume  0.67548E-02 ppm1      3.939 ppm2      4.518 CV     1
 ASSI {  606}
   (( segid " 1SG" and resid 89   and name HA  ))
   (( segid " 1SG" and resid 99   and name HB2 ))
      2.400     2.400     3.600 peak   606 spectrum    1 weight  0.10000E+01 volume  0.95093E-02 ppm1      4.981 ppm2      2.748 CV     1
 ASSI {  611}
   (( segid " 1SG" and resid 20   and name HA2 ))
   (( segid " 1SG" and resid 20   and name HA1 ))
      2.000     0.500     0.500 peak   611 spectrum    1 weight  0.10000E+01 volume  0.66546E-02 ppm1      4.387 ppm2      3.737 CV     1
 ASSI {  613}
   (( segid " 1SG" and resid 3    and name HD2 ))
   (( segid " 1SG" and resid 2    and name HA  ))
      2.300     0.600     0.600 peak   613 spectrum    1 weight  0.10000E+01 volume  0.66273E-02 ppm1      3.854 ppm2      4.913 CV     1
 OR {  613}
   (( segid " 1SG" and resid 3    and name HD1 ))
   (( segid " 1SG" and resid 2    and name HA  ))
 ASSI {  617}
   (( segid " 1SG" and resid 84   and name HB  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      2.300     0.700     0.700 peak   617 spectrum    1 weight  0.10000E+01 volume  0.65694E-02 ppm1      4.220 ppm2      1.497 CV     1
 ASSI {  623}
   (( segid " 1SG" and resid 38   and name HB  ))
   (  segid " 1SG" and resid 38   and name HG2%)
      2.300     0.700     0.700 peak   623 spectrum    1 weight  0.10000E+01 volume  0.65094E-02 ppm1      1.893 ppm2      0.790 CV     1
 ASSI {  625}
   (( segid " 1SG" and resid 49   and name HG  ))
   (  segid " 1SG" and resid 49   and name HD2%)
      1.900     0.500     0.500 peak   625 spectrum    1 weight  0.10000E+01 volume  0.64612E-02 ppm1      0.805 ppm2      1.028 CV     1
 ASSI {  628}
   (  segid " 1SG" and resid 91   and name HG2%)
   (  segid " 1SG" and resid 39   and name HG2%)
      2.200     0.600     0.600 peak   628 spectrum    1 weight  0.10000E+01 volume  0.64001E-02 ppm1      0.172 ppm2     -0.446 CV     1
 OR {  628}
   (  segid " 1SG" and resid 91   and name HG1%)
   (  segid " 1SG" and resid 39   and name HG2%)
 ASSI {  629}
   (  segid " 1SG" and resid 106  and name HG2%)
   (  segid " 1SG" and resid 18   and name HG2%)
      2.200     0.600     0.600 peak   629 spectrum    1 weight  0.10000E+01 volume  0.63020E-02 ppm1      0.390 ppm2      0.968 CV     1
 OR {  629}
   (  segid " 1SG" and resid 106  and name HG2%)
   (  segid " 1SG" and resid 18   and name HG1%)
 ASSI {  638}
   (  segid " 1SG" and resid 74   and name HD2%)
   (  segid " 1SG" and resid 26   and name HB% )
      2.500     2.500     3.500 peak   638 spectrum    1 weight  0.10000E+01 volume  0.95093E-02 ppm1      0.410 ppm2      1.483 CV     1
 ASSI {  647}
   (( segid " 1SG" and resid 15   and name HB2 ))
   (( segid " 1SG" and resid 15   and name HG2 ))
      2.300     0.700     0.700 peak   647 spectrum    1 weight  0.10000E+01 volume  0.61006E-02 ppm1      2.041 ppm2      2.277 CV     1
 OR {  647}
   (( segid " 1SG" and resid 15   and name HB1 ))
   (( segid " 1SG" and resid 15   and name HG1 ))
 OR {  647}
   (( segid " 1SG" and resid 15   and name HB1 ))
   (( segid " 1SG" and resid 15   and name HG2 ))
 OR {  647}
   (( segid " 1SG" and resid 15   and name HB2 ))
   (( segid " 1SG" and resid 15   and name HG1 ))
 ASSI {  649}
   (  segid " 1SG" and resid 105  and name HG2%)
   (( segid " 1SG" and resid 105  and name HA  ))
      2.300     0.700     0.700 peak   649 spectrum    1 weight  0.10000E+01 volume  0.60797E-02 ppm1      0.923 ppm2      4.518 CV     1
 ASSI {  651}
   (  segid " 1SG" and resid 8    and name HG1%)
   (( segid " 1SG" and resid 8    and name HA  ))
      2.300     0.700     0.700 peak   651 spectrum    1 weight  0.10000E+01 volume  0.60545E-02 ppm1      0.964 ppm2      4.174 CV     1
 OR {  651}
   (  segid " 1SG" and resid 8    and name HG2%)
   (( segid " 1SG" and resid 8    and name HA  ))
 ASSI {  653}
   (  segid " 1SG" and resid 57   and name HD1%)
   (  segid " 1SG" and resid 74   and name HD1%)
      2.200     0.600     0.600 peak   653 spectrum    1 weight  0.10000E+01 volume  0.60373E-02 ppm1      0.612 ppm2      0.416 CV     1
 OR {  653}
   (  segid " 1SG" and resid 57   and name HD2%)
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI {  655}
   (( segid " 1SG" and resid 92   and name HB2 ))
   (( segid " 1SG" and resid 92   and name HA  ))
      2.300     0.700     0.700 peak   655 spectrum    1 weight  0.10000E+01 volume  0.60218E-02 ppm1      3.943 ppm2      5.264 CV     1
 OR {  655}
   (( segid " 1SG" and resid 92   and name HB1 ))
   (( segid " 1SG" and resid 92   and name HA  ))
 ASSI {  656}
   (( segid " 1SG" and resid 38   and name HB  ))
   (  segid " 1SG" and resid 38   and name HG1%)
      2.300     0.700     0.700 peak   656 spectrum    1 weight  0.10000E+01 volume  0.60106E-02 ppm1      1.893 ppm2      0.842 CV     1
 ASSI {  660}
   (( segid " 1SG" and resid 18   and name HB  ))
   (  segid " 1SG" and resid 18   and name HG1%)
      2.300     0.600     0.600 peak   660 spectrum    1 weight  0.10000E+01 volume  0.59259E-02 ppm1      1.940 ppm2      1.009 CV     1
 ASSI {  667}
   (( segid " 1SG" and resid 94   and name HE1 ))
   (( segid " 1SG" and resid 94   and name HG1 ))
      2.500     0.800     0.800 peak   667 spectrum    1 weight  0.10000E+01 volume  0.58246E-02 ppm1      2.982 ppm2      1.410 CV     1
 OR {  667}
   (( segid " 1SG" and resid 94   and name HE1 ))
   (( segid " 1SG" and resid 94   and name HG2 ))
 OR {  667}
   (( segid " 1SG" and resid 94   and name HE2 ))
   (( segid " 1SG" and resid 94   and name HG1 ))
 OR {  667}
   (( segid " 1SG" and resid 94   and name HE2 ))
   (( segid " 1SG" and resid 94   and name HG2 ))
 ASSI {  676}
   (( segid " 1SG" and resid 32   and name HB1 ))
   (( segid " 1SG" and resid 33   and name HA  ))
      2.500     2.500     3.500 peak   676 spectrum    1 weight  0.10000E+01 volume  0.57469E-02 ppm1      3.910 ppm2      4.466 CV     1
 OR {  676}
   (( segid " 1SG" and resid 32   and name HB2 ))
   (( segid " 1SG" and resid 33   and name HA  ))
 ASSI {  677}
   (  segid " 1SG" and resid 104  and name HD1%)
   (  segid " 1SG" and resid 22   and name HD1%)
      2.300     0.700     0.700 peak   677 spectrum    1 weight  0.10000E+01 volume  0.57469E-02 ppm1      0.982 ppm2      0.547 CV     1
 ASSI {  679}
   (  segid " 1SG" and resid 47   and name HG1%)
   (( segid " 1SG" and resid 47   and name HA  ))
      2.300     0.700     0.700 peak   679 spectrum    1 weight  0.10000E+01 volume  0.57362E-02 ppm1      0.996 ppm2      4.076 CV     1
 ASSI {  680}
   (( segid " 1SG" and resid 33   and name HA  ))
   (  segid " 1SG" and resid 33   and name HD2%)
      2.700     0.900     0.900 peak   680 spectrum    1 weight  0.10000E+01 volume  0.57362E-02 ppm1      4.455 ppm2      0.875 CV     1
 OR {  680}
   (( segid " 1SG" and resid 33   and name HA  ))
   (  segid " 1SG" and resid 33   and name HD1%)
 ASSI {  681}
   (( segid " 1SG" and resid 68   and name HG1 ))
   (( segid " 1SG" and resid 68   and name HD1 ))
      2.300     0.600     0.600 peak   681 spectrum    1 weight  0.10000E+01 volume  0.57352E-02 ppm1      1.326 ppm2      1.682 CV     1
 OR {  681}
   (( segid " 1SG" and resid 68   and name HG2 ))
   (( segid " 1SG" and resid 68   and name HD2 ))
 OR {  681}
   (( segid " 1SG" and resid 68   and name HG1 ))
   (( segid " 1SG" and resid 68   and name HD2 ))
 OR {  681}
   (( segid " 1SG" and resid 68   and name HG2 ))
   (( segid " 1SG" and resid 68   and name HD1 ))
 ASSI {  684}
   (  segid " 1SG" and resid 53   and name HG2%)
   (( segid " 1SG" and resid 53   and name HA  ))
      2.000     0.500     0.500 peak   684 spectrum    1 weight  0.10000E+01 volume  0.95093E-02 ppm1      1.079 ppm2      4.054 CV     1
 OR {  684}
   (  segid " 1SG" and resid 53   and name HG1%)
   (( segid " 1SG" and resid 53   and name HA  ))
 ASSI {  685}
   (( segid " 1SG" and resid 44   and name HA1 ))
   (( segid " 1SG" and resid 44   and name HA2 ))
      2.000     0.500     0.500 peak   685 spectrum    1 weight  0.10000E+01 volume  0.57143E-02 ppm1      3.476 ppm2      3.825 CV     1
 ASSI {  689}
   (  segid " 1SG" and resid 57   and name HD1%)
   (( segid " 1SG" and resid 57   and name HG  ))
      2.100     0.600     0.600 peak   689 spectrum    1 weight  0.10000E+01 volume  0.56832E-02 ppm1      0.618 ppm2      0.749 CV     1
 OR {  689}
   (  segid " 1SG" and resid 57   and name HD2%)
   (( segid " 1SG" and resid 57   and name HG  ))
 ASSI {  690}
   (  segid " 1SG" and resid 53   and name HG1%)
   (  segid " 1SG" and resid 59   and name HD1%)
      2.500     0.800     0.800 peak   690 spectrum    1 weight  0.10000E+01 volume  0.95093E-02 ppm1      1.118 ppm2      0.869 CV     1
 ASSI {  691}
   (  segid " 1SG" and resid 53   and name HG1%)
   (  segid " 1SG" and resid 57   and name HD2%)
      2.500     0.800     0.800 peak   691 spectrum    1 weight  0.10000E+01 volume  0.95093E-02 ppm1      1.118 ppm2      0.614 CV     1
 OR {  691}
   (  segid " 1SG" and resid 53   and name HG1%)
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI {  692}
   (  segid " 1SG" and resid 53   and name HG1%)
   (  segid " 1SG" and resid 53   and name HG2%)
      2.100     0.500     0.500 peak   692 spectrum    1 weight  0.10000E+01 volume  0.95093E-02 ppm1      1.122 ppm2      1.070 CV     1
 ASSI {  695}
   (  segid " 1SG" and resid 53   and name HG2%)
   (  segid " 1SG" and resid 57   and name HD2%)
      2.300     0.700     0.700 peak   695 spectrum    1 weight  0.10000E+01 volume  0.56146E-02 ppm1      1.077 ppm2      0.618 CV     1
 OR {  695}
   (  segid " 1SG" and resid 53   and name HG2%)
   (  segid " 1SG" and resid 57   and name HD1%)
 OR {  695}
   (  segid " 1SG" and resid 53   and name HG1%)
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI {  698}
   (( segid " 1SG" and resid 68   and name HE2 ))
   (( segid " 1SG" and resid 68   and name HG2 ))
      2.400     0.700     0.700 peak   698 spectrum    1 weight  0.10000E+01 volume  0.55991E-02 ppm1      3.029 ppm2      1.285 CV     1
 OR {  698}
   (( segid " 1SG" and resid 68   and name HE1 ))
   (( segid " 1SG" and resid 68   and name HG2 ))
 OR {  698}
   (( segid " 1SG" and resid 68   and name HE1 ))
   (( segid " 1SG" and resid 68   and name HG1 ))
 OR {  698}
   (( segid " 1SG" and resid 68   and name HE2 ))
   (( segid " 1SG" and resid 68   and name HG1 ))
 ASSI {  699}
   (  segid " 1SG" and resid 53   and name HG1%)
   (( segid " 1SG" and resid 53   and name HA  ))
      2.100     0.500     0.500 peak   699 spectrum    1 weight  0.10000E+01 volume  0.95093E-02 ppm1      1.119 ppm2      4.050 CV     1
 ASSI {  712}
   (( segid " 1SG" and resid 27   and name HD2 ))
   (( segid " 1SG" and resid 27   and name HB2 ))
      2.300     0.600     0.600 peak   712 spectrum    1 weight  0.10000E+01 volume  0.54582E-02 ppm1      3.128 ppm2      1.583 CV     1
 OR {  712}
   (( segid " 1SG" and resid 27   and name HD1 ))
   (( segid " 1SG" and resid 27   and name HB1 ))
 OR {  712}
   (( segid " 1SG" and resid 27   and name HD1 ))
   (( segid " 1SG" and resid 27   and name HB2 ))
 OR {  712}
   (( segid " 1SG" and resid 27   and name HD2 ))
   (( segid " 1SG" and resid 27   and name HB1 ))
 ASSI {  718}
   (  segid " 1SG" and resid 4    and name HG2%)
   (  segid " 1SG" and resid 28   and name HG1%)
      2.900     1.000     1.000 peak   718 spectrum    1 weight  0.10000E+01 volume  0.54206E-02 ppm1      0.905 ppm2      0.832 CV     1
 ASSI {  725}
   (  segid " 1SG" and resid 71   and name HD1%)
   (( segid " 1SG" and resid 71   and name HB2 ))
      2.100     0.600     0.600 peak   725 spectrum    1 weight  0.10000E+01 volume  0.95270E-02 ppm1      0.856 ppm2      1.270 CV     1
 ASSI {  731}
   (  segid " 1SG" and resid 91   and name HG2%)
   (( segid " 1SG" and resid 91   and name HB  ))
      2.100     0.600     0.600 peak   731 spectrum    1 weight  0.10000E+01 volume  0.53487E-02 ppm1      0.175 ppm2      1.130 CV     1
 OR {  731}
   (  segid " 1SG" and resid 91   and name HG1%)
   (( segid " 1SG" and resid 91   and name HB  ))
 ASSI {  739}
   (( segid " 1SG" and resid 14   and name HA2 ))
   (( segid " 1SG" and resid 14   and name HA1 ))
      2.000     0.500     0.500 peak   739 spectrum    1 weight  0.10000E+01 volume  0.53048E-02 ppm1      4.937 ppm2      3.749 CV     1
 ASSI {  742}
   (( segid " 1SG" and resid 4    and name HG12))
   (  segid " 1SG" and resid 4    and name HD1%)
      2.200     0.600     0.600 peak   742 spectrum    1 weight  0.10000E+01 volume  0.52883E-02 ppm1      1.241 ppm2      0.966 CV     1
 ASSI {  745}
   (( segid " 1SG" and resid 43   and name HE2 ))
   (( segid " 1SG" and resid 43   and name HG2 ))
      1.900     0.500     0.500 peak   745 spectrum    1 weight  0.10000E+01 volume  0.95393E-02 ppm1      2.518 ppm2      0.081 CV     1
 ASSI {  751}
   (  segid " 1SG" and resid 93   and name HG2%)
   (  segid " 1SG" and resid 6    and name HD1%)
      2.300     0.700     0.700 peak   751 spectrum    1 weight  0.10000E+01 volume  0.52319E-02 ppm1      1.039 ppm2      0.675 CV     1
 ASSI {  760}
   (( segid " 1SG" and resid 68   and name HD1 ))
   (( segid " 1SG" and resid 68   and name HE2 ))
      2.300     0.700     0.700 peak   760 spectrum    1 weight  0.10000E+01 volume  0.51569E-02 ppm1      1.678 ppm2      3.029 CV     1
 OR {  760}
   (( segid " 1SG" and resid 68   and name HD2 ))
   (( segid " 1SG" and resid 68   and name HE1 ))
 OR {  760}
   (( segid " 1SG" and resid 68   and name HD1 ))
   (( segid " 1SG" and resid 68   and name HE1 ))
 OR {  760}
   (( segid " 1SG" and resid 68   and name HD2 ))
   (( segid " 1SG" and resid 68   and name HE2 ))
 ASSI {  761}
   (  segid " 1SG" and resid 6    and name HD1%)
   (( segid " 1SG" and resid 6    and name HA  ))
      2.100     0.600     0.600 peak   761 spectrum    1 weight  0.10000E+01 volume  0.51374E-02 ppm1      0.673 ppm2      4.461 CV     1
 ASSI {  765}
   (  segid " 1SG" and resid 79   and name HB% )
   (  segid " 1SG" and resid 106  and name HG1%)
      2.700     0.900     0.900 peak   765 spectrum    1 weight  0.10000E+01 volume  0.51115E-02 ppm1      1.194 ppm2      0.689 CV     1
 ASSI {  773}
   (( segid " 1SG" and resid 93   and name HB  ))
   (( segid " 1SG" and resid 93   and name HA  ))
      2.400     0.700     0.700 peak   773 spectrum    1 weight  0.10000E+01 volume  0.50509E-02 ppm1      4.558 ppm2      4.791 CV     1
 ASSI {  775}
   (  segid " 1SG" and resid 77   and name HG2%)
   (( segid " 1SG" and resid 77   and name HA  ))
      2.300     0.700     0.700 peak   775 spectrum    1 weight  0.10000E+01 volume  0.50437E-02 ppm1      1.047 ppm2      4.663 CV     1
 ASSI {  776}
   (( segid " 1SG" and resid 108  and name HG2 ))
   (( segid " 1SG" and resid 108  and name HB2 ))
      2.400     0.700     0.700 peak   776 spectrum    1 weight  0.10000E+01 volume  0.50369E-02 ppm1      2.213 ppm2      1.913 CV     1
 OR {  776}
   (( segid " 1SG" and resid 108  and name HG1 ))
   (( segid " 1SG" and resid 108  and name HB2 ))
 ASSI {  777}
   (( segid " 1SG" and resid 65   and name HD2 ))
   (( segid " 1SG" and resid 65   and name HB2 ))
      2.400     0.700     0.700 peak   777 spectrum    1 weight  0.10000E+01 volume  0.50347E-02 ppm1      3.235 ppm2      1.762 CV     1
 OR {  777}
   (( segid " 1SG" and resid 65   and name HD2 ))
   (( segid " 1SG" and resid 65   and name HB1 ))
 OR {  777}
   (( segid " 1SG" and resid 65   and name HD1 ))
   (( segid " 1SG" and resid 65   and name HB2 ))
 OR {  777}
   (( segid " 1SG" and resid 65   and name HD1 ))
   (( segid " 1SG" and resid 65   and name HB1 ))
 ASSI {  778}
   (  segid " 1SG" and resid 39   and name HG2%)
   (  segid " 1SG" and resid 91   and name HG2%)
      2.200     0.600     0.600 peak   778 spectrum    1 weight  0.10000E+01 volume  0.50305E-02 ppm1     -0.446 ppm2      0.165 CV     1
 ASSI {  784}
   (( segid " 1SG" and resid 29   and name HA  ))
   (( segid " 1SG" and resid 6    and name HA  ))
      3.000     3.000     3.000 peak   784 spectrum    1 weight  0.10000E+01 volume  0.50141E-02 ppm1      4.446 ppm2      4.446 CV     1
 ASSI {  787}
   (( segid " 1SG" and resid 61   and name HB2 ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      2.800     2.800     3.200 peak   787 spectrum    1 weight  0.10000E+01 volume  0.49917E-02 ppm1      2.304 ppm2      2.785 CV     1
 ASSI {  789}
   (  segid " 1SG" and resid 79   and name HB% )
   (  segid " 1SG" and resid 104  and name HD2%)
      2.200     0.600     0.600 peak   789 spectrum    1 weight  0.10000E+01 volume  0.49633E-02 ppm1      1.197 ppm2      0.828 CV     1
 ASSI {  795}
   (( segid " 1SG" and resid 30   and name HA1 ))
   (( segid " 1SG" and resid 30   and name HA2 ))
      2.100     0.500     0.500 peak   795 spectrum    1 weight  0.10000E+01 volume  0.49428E-02 ppm1      3.952 ppm2      4.673 CV     1
 ASSI {  798}
   (( segid " 1SG" and resid 35   and name HE1 ))
   (  segid " 1SG" and resid 38   and name HG2%)
      2.500     0.800     0.800 peak   798 spectrum    1 weight  0.10000E+01 volume  0.49364E-02 ppm1      2.906 ppm2      0.791 CV     1
 OR {  798}
   (( segid " 1SG" and resid 35   and name HE2 ))
   (  segid " 1SG" and resid 38   and name HG2%)
 ASSI {  801}
   (  segid " 1SG" and resid 28   and name HG2%)
   (  segid " 1SG" and resid 91   and name HG2%)
      2.800     1.000     1.000 peak   801 spectrum    1 weight  0.10000E+01 volume  0.49163E-02 ppm1      0.651 ppm2      0.165 CV     1
 ASSI {  802}
   (( segid " 1SG" and resid 79   and name HA  ))
   (  segid " 1SG" and resid 79   and name HB% )
      2.300     0.600     0.600 peak   802 spectrum    1 weight  0.10000E+01 volume  0.49109E-02 ppm1      3.689 ppm2      1.194 CV     1
 ASSI {  804}
   (  segid " 1SG" and resid 91   and name HG2%)
   (  segid " 1SG" and resid 6    and name HD2%)
      2.200     0.600     0.600 peak   804 spectrum    1 weight  0.10000E+01 volume  0.49061E-02 ppm1      0.186 ppm2      0.489 CV     1
 OR {  804}
   (  segid " 1SG" and resid 91   and name HG1%)
   (  segid " 1SG" and resid 6    and name HD2%)
 ASSI {  808}
   (( segid " 1SG" and resid 57   and name HG  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      2.200     0.600     0.600 peak   808 spectrum    1 weight  0.10000E+01 volume  0.48755E-02 ppm1      0.750 ppm2      1.460 CV     1
 ASSI {  814}
   (( segid " 1SG" and resid 34   and name HA  ))
   (( segid " 1SG" and resid 34   and name HB2 ))
      2.400     0.700     0.700 peak   814 spectrum    1 weight  0.10000E+01 volume  0.48536E-02 ppm1      4.298 ppm2      1.673 CV     1
 OR {  814}
   (( segid " 1SG" and resid 34   and name HA  ))
   (( segid " 1SG" and resid 34   and name HB1 ))
 ASSI {  816}
   (  segid " 1SG" and resid 16   and name HG2%)
   (  segid " 1SG" and resid 79   and name HB% )
      2.300     0.700     0.700 peak   816 spectrum    1 weight  0.10000E+01 volume  0.48413E-02 ppm1      0.628 ppm2      1.196 CV     1
 ASSI {  818}
   (( segid " 1SG" and resid 12   and name HG1 ))
   (( segid " 1SG" and resid 12   and name HB2 ))
      2.300     0.700     0.700 peak   818 spectrum    1 weight  0.10000E+01 volume  0.48329E-02 ppm1      2.482 ppm2      1.977 CV     1
 OR {  818}
   (( segid " 1SG" and resid 12   and name HG2 ))
   (( segid " 1SG" and resid 12   and name HB2 ))
 ASSI {  826}
   (  segid " 1SG" and resid 26   and name HB% )
   (( segid " 1SG" and resid 26   and name HA  ))
      2.200     0.600     0.600 peak   826 spectrum    1 weight  0.10000E+01 volume  0.47738E-02 ppm1      1.469 ppm2      4.924 CV     1
 ASSI {  828}
   (( segid " 1SG" and resid 80   and name HG2 ))
   (( segid " 1SG" and resid 80   and name HB2 ))
      2.400     0.700     0.700 peak   828 spectrum    1 weight  0.10000E+01 volume  0.47384E-02 ppm1      2.181 ppm2      1.949 CV     1
 OR {  828}
   (( segid " 1SG" and resid 80   and name HG2 ))
   (( segid " 1SG" and resid 80   and name HB1 ))
 OR {  828}
   (( segid " 1SG" and resid 80   and name HG1 ))
   (( segid " 1SG" and resid 80   and name HB2 ))
 OR {  828}
   (( segid " 1SG" and resid 80   and name HG1 ))
   (( segid " 1SG" and resid 80   and name HB1 ))
 ASSI {  836}
   (  segid " 1SG" and resid 4    and name HG2%)
   (( segid " 1SG" and resid 4    and name HB  ))
      2.100     0.600     0.600 peak   836 spectrum    1 weight  0.10000E+01 volume  0.45866E-02 ppm1      0.914 ppm2      2.051 CV     1
 ASSI {  837}
   (  segid " 1SG" and resid 33   and name HD1%)
   (  segid " 1SG" and resid 93   and name HG2%)
      2.300     0.600     0.600 peak   837 spectrum    1 weight  0.10000E+01 volume  0.45853E-02 ppm1      0.872 ppm2      1.036 CV     1
 OR {  837}
   (  segid " 1SG" and resid 33   and name HD2%)
   (  segid " 1SG" and resid 93   and name HG2%)
 ASSI {  845}
   (  segid " 1SG" and resid 23   and name HG2%)
   (( segid " 1SG" and resid 23   and name HA  ))
      2.500     0.800     0.800 peak   845 spectrum    1 weight  0.10000E+01 volume  0.45432E-02 ppm1      0.784 ppm2      5.116 CV     1
 ASSI {  852}
   (( segid " 1SG" and resid 45   and name HD1 ))
   (( segid " 1SG" and resid 45   and name HG2 ))
      2.400     0.700     0.700 peak   852 spectrum    1 weight  0.10000E+01 volume  0.45104E-02 ppm1      1.241 ppm2      0.603 CV     1
 OR {  852}
   (( segid " 1SG" and resid 45   and name HD2 ))
   (( segid " 1SG" and resid 45   and name HG2 ))
 OR {  852}
   (( segid " 1SG" and resid 45   and name HD2 ))
   (( segid " 1SG" and resid 45   and name HB2 ))
 OR {  852}
   (( segid " 1SG" and resid 45   and name HD1 ))
   (( segid " 1SG" and resid 45   and name HB2 ))
 ASSI {  854}
   (  segid " 1SG" and resid 39   and name HG2%)
   (( segid " 1SG" and resid 39   and name HB  ))
      2.300     0.700     0.700 peak   854 spectrum    1 weight  0.10000E+01 volume  0.44850E-02 ppm1     -0.446 ppm2      0.589 CV     1
 ASSI {  857}
   (  segid " 1SG" and resid 47   and name HG1%)
   (( segid " 1SG" and resid 47   and name HB  ))
      2.400     0.700     0.700 peak   857 spectrum    1 weight  0.10000E+01 volume  0.44417E-02 ppm1      0.995 ppm2      2.528 CV     1
 ASSI {  859}
   (  segid " 1SG" and resid 104  and name HD2%)
   (  segid " 1SG" and resid 16   and name HG2%)
      2.900     1.000     1.000 peak   859 spectrum    1 weight  0.10000E+01 volume  0.44211E-02 ppm1      0.837 ppm2      0.615 CV     1
 ASSI {  862}
   (  segid " 1SG" and resid 16   and name HG2%)
   (  segid " 1SG" and resid 106  and name HG2%)
      2.500     0.800     0.800 peak   862 spectrum    1 weight  0.10000E+01 volume  0.44113E-02 ppm1      0.633 ppm2      0.390 CV     1
 ASSI {  866}
   (( segid " 1SG" and resid 55   and name HG2 ))
   (( segid " 1SG" and resid 55   and name HA  ))
      2.500     0.800     0.800 peak   866 spectrum    1 weight  0.10000E+01 volume  0.43837E-02 ppm1      1.990 ppm2      4.001 CV     1
 OR {  866}
   (( segid " 1SG" and resid 55   and name HG1 ))
   (( segid " 1SG" and resid 55   and name HA  ))
 ASSI {  867}
   (  segid " 1SG" and resid 59   and name HD2%)
   (( segid " 1SG" and resid 59   and name HA  ))
      2.300     0.700     0.700 peak   867 spectrum    1 weight  0.10000E+01 volume  0.43691E-02 ppm1      0.713 ppm2      5.190 CV     1
 ASSI {  873}
   (( segid " 1SG" and resid 91   and name HB  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      2.200     0.600     0.600 peak   873 spectrum    1 weight  0.10000E+01 volume  0.43396E-02 ppm1      1.132 ppm2      0.172 CV     1
 ASSI {  882}
   (( segid " 1SG" and resid 38   and name HA  ))
   (  segid " 1SG" and resid 38   and name HG2%)
      2.500     0.800     0.800 peak   882 spectrum    1 weight  0.10000E+01 volume  0.42793E-02 ppm1      3.900 ppm2      0.791 CV     1
 ASSI {  885}
   (( segid " 1SG" and resid 62   and name HB2 ))
   (( segid " 1SG" and resid 62   and name HA  ))
      2.700     0.900     0.900 peak   885 spectrum    1 weight  0.10000E+01 volume  0.42650E-02 ppm1      3.814 ppm2      4.609 CV     1
 ASSI {  887}
   (  segid " 1SG" and resid 93   and name HG2%)
   (( segid " 1SG" and resid 93   and name HA  ))
      2.300     0.700     0.700 peak   887 spectrum    1 weight  0.10000E+01 volume  0.42627E-02 ppm1      1.040 ppm2      4.794 CV     1
 ASSI {  894}
   (( segid " 1SG" and resid 52   and name HD2 ))
   (  segid " 1SG" and resid 47   and name HG1%)
      2.400     2.400     3.600 peak   894 spectrum    1 weight  0.10000E+01 volume  0.42252E-02 ppm1      1.585 ppm2      0.965 CV     1
 OR {  894}
   (( segid " 1SG" and resid 52   and name HD1 ))
   (  segid " 1SG" and resid 47   and name HG1%)
 ASSI {  896}
   (  segid " 1SG" and resid 106  and name HG2%)
   (( segid " 1SG" and resid 106  and name HB  ))
      2.300     0.600     0.600 peak   896 spectrum    1 weight  0.10000E+01 volume  0.42189E-02 ppm1      0.392 ppm2      1.861 CV     1
 ASSI {  897}
   (  segid " 1SG" and resid 4    and name HD1%)
   (( segid " 1SG" and resid 96   and name HB2 ))
      2.400     0.700     0.700 peak   897 spectrum    1 weight  0.10000E+01 volume  0.42142E-02 ppm1      0.965 ppm2      1.581 CV     1
 ASSI {  902}
   (( segid " 1SG" and resid 96   and name HB2 ))
   (( segid " 1SG" and resid 94   and name HD2 ))
      2.200     0.600     0.600 peak   902 spectrum    1 weight  0.10000E+01 volume  0.41920E-02 ppm1      1.580 ppm2      1.690 CV     1
 OR {  902}
   (( segid " 1SG" and resid 96   and name HB2 ))
   (( segid " 1SG" and resid 94   and name HD1 ))
 ASSI {  908}
   (  segid " 1SG" and resid 106  and name HG1%)
   (( segid " 1SG" and resid 106  and name HB  ))
      2.200     0.600     0.600 peak   908 spectrum    1 weight  0.10000E+01 volume  0.41341E-02 ppm1      0.695 ppm2      1.859 CV     1
 ASSI {  910}
   (( segid " 1SG" and resid 96   and name HB2 ))
   (( segid " 1SG" and resid 96   and name HG2 ))
      2.200     0.600     0.600 peak   910 spectrum    1 weight  0.10000E+01 volume  0.41007E-02 ppm1      1.587 ppm2      1.335 CV     1
 OR {  910}
   (( segid " 1SG" and resid 96   and name HB2 ))
   (( segid " 1SG" and resid 96   and name HG1 ))
 ASSI {  913}
   (  segid " 1SG" and resid 59   and name HD1%)
   (( segid " 1SG" and resid 59   and name HG  ))
      2.200     0.600     0.600 peak   913 spectrum    1 weight  0.10000E+01 volume  0.40767E-02 ppm1      0.866 ppm2      1.440 CV     1
 ASSI {  931}
   (( segid " 1SG" and resid 65   and name HB2 ))
   (( segid " 1SG" and resid 65   and name HA  ))
      2.400     0.700     0.700 peak   931 spectrum    1 weight  0.10000E+01 volume  0.39889E-02 ppm1      1.768 ppm2      3.458 CV     1
 OR {  931}
   (( segid " 1SG" and resid 65   and name HB1 ))
   (( segid " 1SG" and resid 65   and name HA  ))
 ASSI {  932}
   (  segid " 1SG" and resid 71   and name HD1%)
   (( segid " 1SG" and resid 71   and name HA  ))
      2.400     0.700     0.700 peak   932 spectrum    1 weight  0.10000E+01 volume  0.39888E-02 ppm1      0.861 ppm2      5.068 CV     1
 ASSI {  934}
   (  segid " 1SG" and resid 39   and name HG1%)
   (( segid " 1SG" and resid 39   and name HB  ))
      2.400     0.700     0.700 peak   934 spectrum    1 weight  0.10000E+01 volume  0.39819E-02 ppm1     -0.065 ppm2      0.591 CV     1
 ASSI {  935}
   (( segid " 1SG" and resid 49   and name HG  ))
   (( segid " 1SG" and resid 49   and name HA  ))
      2.200     0.600     0.600 peak   935 spectrum    1 weight  0.10000E+01 volume  0.39783E-02 ppm1      0.803 ppm2      3.862 CV     1
 ASSI {  937}
   (( segid " 1SG" and resid 86   and name HA1 ))
   (( segid " 1SG" and resid 86   and name HA2 ))
      2.100     0.600     0.600 peak   937 spectrum    1 weight  0.10000E+01 volume  0.39434E-02 ppm1      3.487 ppm2      4.665 CV     1
 ASSI {  944}
   (( segid " 1SG" and resid 51   and name HA  ))
   (( segid " 1SG" and resid 51   and name HB2 ))
      2.500     0.800     0.800 peak   944 spectrum    1 weight  0.10000E+01 volume  0.38900E-02 ppm1      4.566 ppm2      4.025 CV     1
 ASSI {  949}
   (( segid " 1SG" and resid 16   and name HB  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      2.400     0.700     0.700 peak   949 spectrum    1 weight  0.10000E+01 volume  0.38590E-02 ppm1      1.824 ppm2      0.622 CV     1
 ASSI {  952}
   (( segid " 1SG" and resid 95   and name HA  ))
   (( segid " 1SG" and resid 95   and name HB2 ))
      2.500     0.800     0.800 peak   952 spectrum    1 weight  0.10000E+01 volume  0.38548E-02 ppm1      4.737 ppm2      2.633 CV     1
 ASSI {  953}
   (( segid " 1SG" and resid 77   and name HB  ))
   (( segid " 1SG" and resid 77   and name HA  ))
      2.300     0.700     0.700 peak   953 spectrum    1 weight  0.10000E+01 volume  0.38518E-02 ppm1      4.029 ppm2      4.666 CV     1
 ASSI {  955}
   (( segid " 1SG" and resid 53   and name HA  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      2.300     0.700     0.700 peak   955 spectrum    1 weight  0.10000E+01 volume  0.38459E-02 ppm1      4.054 ppm2      1.080 CV     1
 ASSI {  963}
   (  segid " 1SG" and resid 74   and name HD1%)
   (  segid " 1SG" and resid 49   and name HD2%)
      2.200     0.600     0.600 peak   963 spectrum    1 weight  0.10000E+01 volume  0.37964E-02 ppm1      0.410 ppm2      1.032 CV     1
 OR {  963}
   (  segid " 1SG" and resid 74   and name HD2%)
   (  segid " 1SG" and resid 49   and name HD2%)
 ASSI {  965}
   (( segid " 1SG" and resid 3    and name HD1 ))
   (( segid " 1SG" and resid 4    and name HB  ))
      2.800     2.800     3.200 peak   965 spectrum    1 weight  0.10000E+01 volume  0.37908E-02 ppm1      3.857 ppm2      2.022 CV     1
 OR {  965}
   (( segid " 1SG" and resid 3    and name HD2 ))
   (( segid " 1SG" and resid 4    and name HB  ))
 ASSI {  966}
   (( segid " 1SG" and resid 61   and name HA  ))
   (( segid " 1SG" and resid 72   and name HA  ))
      2.100     0.500     0.500 peak   966 spectrum    1 weight  0.10000E+01 volume  0.37842E-02 ppm1      5.559 ppm2      5.379 CV     1
 ASSI {  969}
   (  segid " 1SG" and resid 47   and name HG2%)
   (( segid " 1SG" and resid 47   and name HA  ))
      2.700     0.900     0.900 peak   969 spectrum    1 weight  0.10000E+01 volume  0.37692E-02 ppm1      0.793 ppm2      4.074 CV     1
 ASSI {  972}
   (  segid " 1SG" and resid 106  and name HG1%)
   (( segid " 1SG" and resid 106  and name HA  ))
      2.800     0.900     0.900 peak   972 spectrum    1 weight  0.10000E+01 volume  0.37440E-02 ppm1      0.694 ppm2      4.732 CV     1
 ASSI {  978}
   (  segid " 1SG" and resid 104  and name HD1%)
   (( segid " 1SG" and resid 104  and name HA  ))
      2.800     1.000     1.000 peak   978 spectrum    1 weight  0.10000E+01 volume  0.37251E-02 ppm1      0.981 ppm2      5.437 CV     1
 ASSI {  984}
   (  segid " 1SG" and resid 22   and name HD1%)
   (( segid " 1SG" and resid 104  and name HB2 ))
      2.600     0.800     0.800 peak   984 spectrum    1 weight  0.10000E+01 volume  0.36830E-02 ppm1      0.549 ppm2      1.243 CV     1
 OR {  984}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 104  and name HB2 ))
 ASSI {  989}
   (  segid " 1SG" and resid 71   and name HD2%)
   (( segid " 1SG" and resid 69   and name HB  ))
      2.100     2.100     3.900 peak   989 spectrum    1 weight  0.10000E+01 volume  0.36675E-02 ppm1      0.748 ppm2      1.766 CV     1
 ASSI {  990}
   (  segid " 1SG" and resid 18   and name HG2%)
   (( segid " 1SG" and resid 108  and name HA  ))
      2.300     0.600     0.600 peak   990 spectrum    1 weight  0.10000E+01 volume  0.36668E-02 ppm1      0.965 ppm2      4.151 CV     1
 ASSI {  991}
   (( segid " 1SG" and resid 55   and name HB2 ))
   (( segid " 1SG" and resid 55   and name HA  ))
      2.600     0.800     0.800 peak   991 spectrum    1 weight  0.10000E+01 volume  0.36632E-02 ppm1      1.787 ppm2      4.002 CV     1
 ASSI {  992}
   (( segid " 1SG" and resid 106  and name HA  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      2.400     0.700     0.700 peak   992 spectrum    1 weight  0.10000E+01 volume  0.36607E-02 ppm1      4.730 ppm2      0.388 CV     1
 ASSI {  993}
   (  segid " 1SG" and resid 4    and name HG2%)
   (( segid " 1SG" and resid 96   and name HB2 ))
      2.600     0.800     0.800 peak   993 spectrum    1 weight  0.10000E+01 volume  0.36513E-02 ppm1      0.918 ppm2      1.588 CV     1
 ASSI { 1000}
   (  segid " 1SG" and resid 59   and name HD1%)
   (( segid " 1SG" and resid 43   and name HA  ))
      3.500     3.500     2.500 peak  1000 spectrum    1 weight  0.10000E+01 volume  0.36130E-02 ppm1      0.867 ppm2      4.117 CV     1
 ASSI { 1002}
   (( segid " 1SG" and resid 47   and name HB  ))
   (  segid " 1SG" and resid 47   and name HG2%)
      2.400     0.700     0.700 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.36070E-02 ppm1      2.530 ppm2      0.796 CV     1
 ASSI { 1004}
   (( segid " 1SG" and resid 33   and name HA  ))
   (( segid " 1SG" and resid 33   and name HB2 ))
      2.500     0.800     0.800 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.35877E-02 ppm1      4.459 ppm2      1.732 CV     1
 ASSI { 1006}
   (( segid " 1SG" and resid 57   and name HA  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      2.200     0.600     0.600 peak  1006 spectrum    1 weight  0.10000E+01 volume  0.35821E-02 ppm1      5.429 ppm2      1.472 CV     1
 ASSI { 1008}
   (( segid " 1SG" and resid 77   and name HA  ))
   (( segid " 1SG" and resid 21   and name HA  ))
      2.100     0.500     0.500 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.35775E-02 ppm1      4.665 ppm2      5.519 CV     1
 ASSI { 1009}
   (( segid " 1SG" and resid 84   and name HA  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      2.500     0.800     0.800 peak  1009 spectrum    1 weight  0.10000E+01 volume  0.35732E-02 ppm1      4.230 ppm2      1.496 CV     1
 ASSI { 1011}
   (  segid " 1SG" and resid 59   and name HD1%)
   (  segid " 1SG" and resid 53   and name HG2%)
      2.400     0.700     0.700 peak  1011 spectrum    1 weight  0.10000E+01 volume  0.35667E-02 ppm1      0.870 ppm2      1.085 CV     1
 ASSI { 1019}
   (( segid " 1SG" and resid 35   and name HA  ))
   (( segid " 1SG" and resid 36   and name HD2 ))
      2.600     0.900     0.900 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.35317E-02 ppm1      4.673 ppm2      3.509 CV     1
 ASSI { 1021}
   (  segid " 1SG" and resid 22   and name HD1%)
   (( segid " 1SG" and resid 22   and name HG12))
      2.400     0.700     0.700 peak  1021 spectrum    1 weight  0.10000E+01 volume  0.35248E-02 ppm1      0.548 ppm2      0.108 CV     1
 OR { 1021}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 22   and name HG12))
 ASSI { 1031}
   (  segid " 1SG" and resid 76   and name HG2%)
   (( segid " 1SG" and resid 80   and name HB2 ))
      2.800     2.800     3.200 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.34930E-02 ppm1      0.825 ppm2      1.940 CV     1
 OR { 1031}
   (  segid " 1SG" and resid 76   and name HG2%)
   (( segid " 1SG" and resid 80   and name HB1 ))
 ASSI { 1037}
   (  segid " 1SG" and resid 91   and name HG2%)
   (( segid " 1SG" and resid 91   and name HA  ))
      2.500     0.800     0.800 peak  1037 spectrum    1 weight  0.10000E+01 volume  0.34604E-02 ppm1      0.180 ppm2      4.756 CV     1
 OR { 1037}
   (  segid " 1SG" and resid 91   and name HG1%)
   (( segid " 1SG" and resid 91   and name HA  ))
 ASSI { 1038}
   (( segid " 1SG" and resid 53   and name HB  ))
   (( segid " 1SG" and resid 52   and name HB2 ))
      3.100     3.100     2.900 peak  1038 spectrum    1 weight  0.10000E+01 volume  0.34602E-02 ppm1      2.169 ppm2      1.731 CV     1
 ASSI { 1047}
   (( segid " 1SG" and resid 16   and name HB  ))
   (( segid " 1SG" and resid 16   and name HA  ))
      2.400     0.700     0.700 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.34179E-02 ppm1      1.820 ppm2      4.604 CV     1
 ASSI { 1051}
   (( segid " 1SG" and resid 43   and name HD2 ))
   (  segid " 1SG" and resid 59   and name HD1%)
      3.300     3.300     2.700 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.34054E-02 ppm1      1.331 ppm2      0.856 CV     1
 OR { 1051}
   (( segid " 1SG" and resid 43   and name HD1 ))
   (  segid " 1SG" and resid 59   and name HD1%)
 ASSI { 1055}
   (( segid " 1SG" and resid 71   and name HB2 ))
   (( segid " 1SG" and resid 69   and name HB  ))
      2.400     2.400     3.600 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.33917E-02 ppm1      1.264 ppm2      1.770 CV     1
 ASSI { 1057}
   (  segid " 1SG" and resid 79   and name HB% )
   (  segid " 1SG" and resid 106  and name HG2%)
      2.500     0.800     0.800 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.33877E-02 ppm1      1.196 ppm2      0.392 CV     1
 ASSI { 1058}
   (( segid " 1SG" and resid 94   and name HB2 ))
   (( segid " 1SG" and resid 94   and name HG1 ))
      2.400     0.700     0.700 peak  1058 spectrum    1 weight  0.10000E+01 volume  0.33802E-02 ppm1      1.791 ppm2      1.414 CV     1
 OR { 1058}
   (( segid " 1SG" and resid 94   and name HB2 ))
   (( segid " 1SG" and resid 94   and name HG2 ))
 ASSI { 1068}
   (( segid " 1SG" and resid 35   and name HB1 ))
   (( segid " 1SG" and resid 35   and name HG2 ))
      2.500     0.800     0.800 peak  1068 spectrum    1 weight  0.10000E+01 volume  0.33295E-02 ppm1      1.791 ppm2      1.358 CV     1
 OR { 1068}
   (( segid " 1SG" and resid 35   and name HB2 ))
   (( segid " 1SG" and resid 35   and name HG2 ))
 OR { 1068}
   (( segid " 1SG" and resid 35   and name HB1 ))
   (( segid " 1SG" and resid 35   and name HG1 ))
 OR { 1068}
   (( segid " 1SG" and resid 35   and name HB2 ))
   (( segid " 1SG" and resid 35   and name HG1 ))
 ASSI { 1077}
   (  segid " 1SG" and resid 69   and name HG1%)
   (( segid " 1SG" and resid 29   and name HA  ))
      2.600     0.800     0.800 peak  1077 spectrum    1 weight  0.10000E+01 volume  0.32881E-02 ppm1      0.863 ppm2      4.391 CV     1
 OR { 1077}
   (  segid " 1SG" and resid 69   and name HG2%)
   (( segid " 1SG" and resid 29   and name HA  ))
 ASSI { 1078}
   (( segid " 1SG" and resid 76   and name HB  ))
   (  segid " 1SG" and resid 76   and name HG2%)
      2.400     0.700     0.700 peak  1078 spectrum    1 weight  0.10000E+01 volume  0.32667E-02 ppm1      1.936 ppm2      0.826 CV     1
 ASSI { 1079}
   (  segid " 1SG" and resid 59   and name HD2%)
   (( segid " 1SG" and resid 59   and name HG  ))
      2.400     0.700     0.700 peak  1079 spectrum    1 weight  0.10000E+01 volume  0.32657E-02 ppm1      0.713 ppm2      1.443 CV     1
 ASSI { 1080}
   (( segid " 1SG" and resid 58   and name HB1 ))
   (( segid " 1SG" and resid 58   and name HG2 ))
      2.500     0.800     0.800 peak  1080 spectrum    1 weight  0.10000E+01 volume  0.32599E-02 ppm1      2.406 ppm2      1.814 CV     1
 OR { 1080}
   (( segid " 1SG" and resid 58   and name HB2 ))
   (( segid " 1SG" and resid 58   and name HG2 ))
 ASSI { 1081}
   (( segid " 1SG" and resid 76   and name HB  ))
   (  segid " 1SG" and resid 22   and name HG2%)
      2.300     0.700     0.700 peak  1081 spectrum    1 weight  0.10000E+01 volume  0.32580E-02 ppm1      1.938 ppm2      0.610 CV     1
 ASSI { 1082}
   (( segid " 1SG" and resid 57   and name HG  ))
   (  segid " 1SG" and resid 74   and name HD1%)
      2.900     1.000     1.000 peak  1082 spectrum    1 weight  0.10000E+01 volume  0.32536E-02 ppm1      0.751 ppm2      0.415 CV     1
 ASSI { 1083}
   (( segid " 1SG" and resid 22   and name HG12))
   (( segid " 1SG" and resid 104  and name HB2 ))
      2.300     0.600     0.600 peak  1083 spectrum    1 weight  0.10000E+01 volume  0.32528E-02 ppm1      0.106 ppm2      1.251 CV     1
 ASSI { 1088}
   (  segid " 1SG" and resid 39   and name HG2%)
   (( segid " 1SG" and resid 39   and name HA  ))
      2.500     0.800     0.800 peak  1088 spectrum    1 weight  0.10000E+01 volume  0.32486E-02 ppm1     -0.447 ppm2      4.803 CV     1
 ASSI { 1092}
   (( segid " 1SG" and resid 18   and name HA  ))
   (  segid " 1SG" and resid 18   and name HG1%)
      2.500     0.800     0.800 peak  1092 spectrum    1 weight  0.10000E+01 volume  0.32223E-02 ppm1      3.510 ppm2      0.968 CV     1
 OR { 1092}
   (( segid " 1SG" and resid 18   and name HA  ))
   (  segid " 1SG" and resid 18   and name HG2%)
 ASSI { 1095}
   (( segid " 1SG" and resid 9    and name HG2 ))
   (( segid " 1SG" and resid 9    and name HB2 ))
      2.600     0.800     0.800 peak  1095 spectrum    1 weight  0.10000E+01 volume  0.32128E-02 ppm1      2.524 ppm2      1.911 CV     1
 ASSI { 1097}
   (( segid " 1SG" and resid 18   and name HA  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      2.400     0.700     0.700 peak  1097 spectrum    1 weight  0.10000E+01 volume  0.32027E-02 ppm1      3.516 ppm2      0.390 CV     1
 ASSI { 1101}
   (  segid " 1SG" and resid 28   and name HG1%)
   (  segid " 1SG" and resid 91   and name HG2%)
      2.500     0.800     0.800 peak  1101 spectrum    1 weight  0.10000E+01 volume  0.31748E-02 ppm1      0.830 ppm2      0.179 CV     1
 OR { 1101}
   (  segid " 1SG" and resid 28   and name HG1%)
   (  segid " 1SG" and resid 91   and name HG1%)
 ASSI { 1102}
   (( segid " 1SG" and resid 27   and name HD2 ))
   (( segid " 1SG" and resid 27   and name HG1 ))
      2.400     0.700     0.700 peak  1102 spectrum    1 weight  0.10000E+01 volume  0.31704E-02 ppm1      3.131 ppm2      1.704 CV     1
 OR { 1102}
   (( segid " 1SG" and resid 27   and name HD1 ))
   (( segid " 1SG" and resid 27   and name HG2 ))
 OR { 1102}
   (( segid " 1SG" and resid 27   and name HD2 ))
   (( segid " 1SG" and resid 27   and name HG2 ))
 OR { 1102}
   (( segid " 1SG" and resid 27   and name HD1 ))
   (( segid " 1SG" and resid 27   and name HG1 ))
 ASSI { 1105}
   (  segid " 1SG" and resid 28   and name HG2%)
   (( segid " 1SG" and resid 28   and name HA  ))
      2.500     0.800     0.800 peak  1105 spectrum    1 weight  0.10000E+01 volume  0.31466E-02 ppm1      0.652 ppm2      4.910 CV     1
 ASSI { 1109}
   (( segid " 1SG" and resid 3    and name HB2 ))
   (( segid " 1SG" and resid 3    and name HA  ))
      2.500     0.800     0.800 peak  1109 spectrum    1 weight  0.10000E+01 volume  0.31374E-02 ppm1      2.293 ppm2      4.452 CV     1
 OR { 1109}
   (( segid " 1SG" and resid 3    and name HB1 ))
   (( segid " 1SG" and resid 3    and name HA  ))
 ASSI { 1115}
   (( segid " 1SG" and resid 52   and name HD1 ))
   (( segid " 1SG" and resid 52   and name HA  ))
      2.500     0.800     0.800 peak  1115 spectrum    1 weight  0.10000E+01 volume  0.31303E-02 ppm1      1.579 ppm2      4.625 CV     1
 OR { 1115}
   (( segid " 1SG" and resid 52   and name HD2 ))
   (( segid " 1SG" and resid 52   and name HA  ))
 ASSI { 1118}
   (( segid " 1SG" and resid 43   and name HD1 ))
   (  segid " 1SG" and resid 47   and name HG1%)
      2.800     1.000     1.000 peak  1118 spectrum    1 weight  0.10000E+01 volume  0.31104E-02 ppm1      1.324 ppm2      0.983 CV     1
 OR { 1118}
   (( segid " 1SG" and resid 43   and name HD2 ))
   (  segid " 1SG" and resid 47   and name HG1%)
 ASSI { 1127}
   (( segid " 1SG" and resid 107  and name HA  ))
   (( segid " 1SG" and resid 107  and name HB2 ))
      2.600     0.800     0.800 peak  1127 spectrum    1 weight  0.10000E+01 volume  0.30761E-02 ppm1      4.805 ppm2      3.085 CV     1
 OR { 1127}
   (( segid " 1SG" and resid 107  and name HA  ))
   (( segid " 1SG" and resid 107  and name HB1 ))
 ASSI { 1129}
   (( segid " 1SG" and resid 96   and name HA  ))
   (( segid " 1SG" and resid 96   and name HG1 ))
      2.400     0.700     0.700 peak  1129 spectrum    1 weight  0.10000E+01 volume  0.30686E-02 ppm1      4.790 ppm2      1.336 CV     1
 OR { 1129}
   (( segid " 1SG" and resid 96   and name HA  ))
   (( segid " 1SG" and resid 96   and name HG2 ))
 ASSI { 1135}
   (  segid " 1SG" and resid 59   and name HD2%)
   (( segid " 1SG" and resid 74   and name HA  ))
      2.900     1.100     1.100 peak  1135 spectrum    1 weight  0.10000E+01 volume  0.30539E-02 ppm1      0.717 ppm2      4.346 CV     1
 ASSI { 1151}
   (( segid " 1SG" and resid 18   and name HA  ))
   (  segid " 1SG" and resid 18   and name HG1%)
      2.500     0.800     0.800 peak  1151 spectrum    1 weight  0.10000E+01 volume  0.30082E-02 ppm1      3.513 ppm2      1.007 CV     1
 ASSI { 1152}
   (  segid " 1SG" and resid 69   and name HG1%)
   (( segid " 1SG" and resid 27   and name HD1 ))
      2.600     0.900     0.900 peak  1152 spectrum    1 weight  0.10000E+01 volume  0.30080E-02 ppm1      0.852 ppm2      3.126 CV     1
 OR { 1152}
   (  segid " 1SG" and resid 69   and name HG1%)
   (( segid " 1SG" and resid 27   and name HD2 ))
 ASSI { 1153}
   (( segid " 1SG" and resid 17   and name HA  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      2.600     0.800     0.800 peak  1153 spectrum    1 weight  0.10000E+01 volume  0.30074E-02 ppm1      4.789 ppm2      1.298 CV     1
 ASSI { 1154}
   (( segid " 1SG" and resid 15   and name HA  ))
   (( segid " 1SG" and resid 15   and name HB2 ))
      2.500     0.800     0.800 peak  1154 spectrum    1 weight  0.10000E+01 volume  0.30068E-02 ppm1      5.494 ppm2      2.015 CV     1
 OR { 1154}
   (( segid " 1SG" and resid 15   and name HA  ))
   (( segid " 1SG" and resid 15   and name HB1 ))
 ASSI { 1155}
   (( segid " 1SG" and resid 71   and name HB2 ))
   (  segid " 1SG" and resid 8    and name HG2%)
      2.100     2.100     3.900 peak  1155 spectrum    1 weight  0.10000E+01 volume  0.30036E-02 ppm1      1.326 ppm2      0.961 CV     1
 OR { 1155}
   (( segid " 1SG" and resid 71   and name HB2 ))
   (  segid " 1SG" and resid 8    and name HG1%)
 ASSI { 1156}
   (  segid " 1SG" and resid 59   and name HD2%)
   (( segid " 1SG" and resid 59   and name HB1 ))
      2.600     0.800     0.800 peak  1156 spectrum    1 weight  0.10000E+01 volume  0.30005E-02 ppm1      0.714 ppm2      1.697 CV     1
 OR { 1156}
   (  segid " 1SG" and resid 59   and name HD2%)
   (( segid " 1SG" and resid 59   and name HB2 ))
 ASSI { 1161}
   (( segid " 1SG" and resid 59   and name HB1 ))
   (  segid " 1SG" and resid 59   and name HD1%)
      2.400     0.700     0.700 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.29739E-02 ppm1      1.712 ppm2      0.868 CV     1
 OR { 1161}
   (( segid " 1SG" and resid 59   and name HB2 ))
   (  segid " 1SG" and resid 59   and name HD1%)
 ASSI { 1173}
   (( segid " 1SG" and resid 52   and name HE2 ))
   (  segid " 1SG" and resid 47   and name HG2%)
      2.800     0.900     0.900 peak  1173 spectrum    1 weight  0.10000E+01 volume  0.29266E-02 ppm1      2.788 ppm2      0.794 CV     1
 ASSI { 1176}
   (  segid " 1SG" and resid 4    and name HG2%)
   (  segid " 1SG" and resid 6    and name HD2%)
      3.100     1.200     1.200 peak  1176 spectrum    1 weight  0.10000E+01 volume  0.29130E-02 ppm1      0.914 ppm2      0.491 CV     1
 ASSI { 1183}
   (( segid " 1SG" and resid 45   and name HA  ))
   (( segid " 1SG" and resid 45   and name HB2 ))
      2.600     0.900     0.900 peak  1183 spectrum    1 weight  0.10000E+01 volume  0.28928E-02 ppm1      3.497 ppm2      0.609 CV     1
 OR { 1183}
   (( segid " 1SG" and resid 45   and name HA  ))
   (( segid " 1SG" and resid 45   and name HG2 ))
 ASSI { 1189}
   (( segid " 1SG" and resid 94   and name HA  ))
   (( segid " 1SG" and resid 94   and name HB2 ))
      2.700     0.900     0.900 peak  1189 spectrum    1 weight  0.10000E+01 volume  0.28820E-02 ppm1      4.042 ppm2      1.799 CV     1
 ASSI { 1190}
   (( segid " 1SG" and resid 2    and name HB2 ))
   (( segid " 1SG" and resid 1    and name HA  ))
      3.100     1.200     1.200 peak  1190 spectrum    1 weight  0.10000E+01 volume  0.28808E-02 ppm1      2.684 ppm2      4.619 CV     1
 ASSI { 1191}
   (  segid " 1SG" and resid 76   and name HD1%)
   (( segid " 1SG" and resid 59   and name HG  ))
      2.200     2.200     3.800 peak  1191 spectrum    1 weight  0.10000E+01 volume  0.28775E-02 ppm1      0.677 ppm2      1.411 CV     1
 ASSI { 1193}
   (( segid " 1SG" and resid 43   and name HE2 ))
   (( segid " 1SG" and resid 43   and name HD1 ))
      2.600     0.800     0.800 peak  1193 spectrum    1 weight  0.10000E+01 volume  0.28732E-02 ppm1      2.518 ppm2      1.326 CV     1
 OR { 1193}
   (( segid " 1SG" and resid 43   and name HE2 ))
   (( segid " 1SG" and resid 43   and name HD2 ))
 ASSI { 1202}
   (( segid " 1SG" and resid 2    and name HB2 ))
   (( segid " 1SG" and resid 96   and name HE2 ))
      3.100     3.100     2.900 peak  1202 spectrum    1 weight  0.10000E+01 volume  0.28098E-02 ppm1      2.692 ppm2      2.944 CV     1
 OR { 1202}
   (( segid " 1SG" and resid 2    and name HB2 ))
   (( segid " 1SG" and resid 96   and name HE1 ))
 ASSI { 1205}
   (  segid " 1SG" and resid 28   and name HG2%)
   (( segid " 1SG" and resid 28   and name HB  ))
      2.500     0.800     0.800 peak  1205 spectrum    1 weight  0.10000E+01 volume  0.28032E-02 ppm1      0.652 ppm2      1.978 CV     1
 ASSI { 1215}
   (( segid " 1SG" and resid 25   and name HB2 ))
   (  segid " 1SG" and resid 71   and name HD1%)
      2.800     1.000     1.000 peak  1215 spectrum    1 weight  0.10000E+01 volume  0.27602E-02 ppm1      3.603 ppm2      0.862 CV     1
 ASSI { 1219}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 22   and name HB  ))
      2.400     0.700     0.700 peak  1219 spectrum    1 weight  0.10000E+01 volume  0.27495E-02 ppm1      0.612 ppm2      1.535 CV     1
 ASSI { 1220}
   (  segid " 1SG" and resid 28   and name HG1%)
   (( segid " 1SG" and resid 28   and name HB  ))
      2.500     0.800     0.800 peak  1220 spectrum    1 weight  0.10000E+01 volume  0.27404E-02 ppm1      0.816 ppm2      1.976 CV     1
 ASSI { 1223}
   (( segid " 1SG" and resid 53   and name HB  ))
   (( segid " 1SG" and resid 53   and name HA  ))
      2.600     0.900     0.900 peak  1223 spectrum    1 weight  0.10000E+01 volume  0.27290E-02 ppm1      2.132 ppm2      4.051 CV     1
 ASSI { 1236}
   (( segid " 1SG" and resid 59   and name HA  ))
   (( segid " 1SG" and resid 59   and name HB2 ))
      2.400     0.700     0.700 peak  1236 spectrum    1 weight  0.10000E+01 volume  0.26939E-02 ppm1      5.198 ppm2      1.702 CV     1
 OR { 1236}
   (( segid " 1SG" and resid 59   and name HA  ))
   (( segid " 1SG" and resid 59   and name HB1 ))
 ASSI { 1239}
   (( segid " 1SG" and resid 64   and name HA  ))
   (( segid " 1SG" and resid 64   and name HB2 ))
      2.700     0.900     0.900 peak  1239 spectrum    1 weight  0.10000E+01 volume  0.26891E-02 ppm1      4.580 ppm2      2.354 CV     1
 ASSI { 1242}
   (( segid " 1SG" and resid 43   and name HD2 ))
   (( segid " 1SG" and resid 57   and name HG  ))
      2.500     0.800     0.800 peak  1242 spectrum    1 weight  0.10000E+01 volume  0.26824E-02 ppm1      1.333 ppm2      0.743 CV     1
 OR { 1242}
   (( segid " 1SG" and resid 43   and name HD1 ))
   (( segid " 1SG" and resid 57   and name HG  ))
 ASSI { 1243}
   (( segid " 1SG" and resid 22   and name HG12))
   (  segid " 1SG" and resid 22   and name HD1%)
      2.500     0.800     0.800 peak  1243 spectrum    1 weight  0.10000E+01 volume  0.26782E-02 ppm1      0.102 ppm2      0.551 CV     1
 ASSI { 1244}
   (( segid " 1SG" and resid 52   and name HE2 ))
   (( segid " 1SG" and resid 52   and name HD2 ))
      2.500     0.800     0.800 peak  1244 spectrum    1 weight  0.10000E+01 volume  0.26752E-02 ppm1      2.788 ppm2      1.574 CV     1
 OR { 1244}
   (( segid " 1SG" and resid 52   and name HE2 ))
   (( segid " 1SG" and resid 52   and name HD1 ))
 ASSI { 1246}
   (  segid " 1SG" and resid 104  and name HD1%)
   (( segid " 1SG" and resid 104  and name HB2 ))
      2.300     0.600     0.600 peak  1246 spectrum    1 weight  0.10000E+01 volume  0.26709E-02 ppm1      0.976 ppm2      1.219 CV     1
 ASSI { 1251}
   (( segid " 1SG" and resid 80   and name HA  ))
   (( segid " 1SG" and resid 81   and name HD2 ))
      2.600     0.800     0.800 peak  1251 spectrum    1 weight  0.10000E+01 volume  0.26555E-02 ppm1      4.639 ppm2      3.592 CV     1
 ASSI { 1254}
   (( segid " 1SG" and resid 57   and name HA  ))
   (( segid " 1SG" and resid 76   and name HA  ))
      2.300     0.700     0.700 peak  1254 spectrum    1 weight  0.10000E+01 volume  0.26487E-02 ppm1      5.425 ppm2      5.012 CV     1
 ASSI { 1259}
   (( segid " 1SG" and resid 22   and name HA  ))
   (( segid " 1SG" and resid 22   and name HB  ))
      2.400     0.700     0.700 peak  1259 spectrum    1 weight  0.10000E+01 volume  0.26402E-02 ppm1      4.352 ppm2      1.534 CV     1
 ASSI { 1266}
   (  segid " 1SG" and resid 22   and name HD1%)
   (( segid " 1SG" and resid 14   and name HA1 ))
      2.500     0.800     0.800 peak  1266 spectrum    1 weight  0.10000E+01 volume  0.26150E-02 ppm1      0.548 ppm2      3.749 CV     1
 ASSI { 1267}
   (( segid " 1SG" and resid 59   and name HG  ))
   (( segid " 1SG" and resid 57   and name HG  ))
      3.600     3.600     2.400 peak  1267 spectrum    1 weight  0.10000E+01 volume  0.26139E-02 ppm1      1.460 ppm2      0.749 CV     1
 ASSI { 1272}
   (( segid " 1SG" and resid 58   and name HA  ))
   (( segid " 1SG" and resid 58   and name HB1 ))
      2.600     0.800     0.800 peak  1272 spectrum    1 weight  0.10000E+01 volume  0.25993E-02 ppm1      4.626 ppm2      2.405 CV     1
 OR { 1272}
   (( segid " 1SG" and resid 58   and name HA  ))
   (( segid " 1SG" and resid 58   and name HB2 ))
 ASSI { 1274}
   (( segid " 1SG" and resid 65   and name HA  ))
   (( segid " 1SG" and resid 65   and name HG1 ))
      2.700     0.900     0.900 peak  1274 spectrum    1 weight  0.10000E+01 volume  0.25885E-02 ppm1      3.458 ppm2      1.692 CV     1
 OR { 1274}
   (( segid " 1SG" and resid 65   and name HA  ))
   (( segid " 1SG" and resid 65   and name HG2 ))
 ASSI { 1282}
   (( segid " 1SG" and resid 78   and name HA  ))
   (( segid " 1SG" and resid 78   and name HB2 ))
      2.800     1.000     1.000 peak  1282 spectrum    1 weight  0.10000E+01 volume  0.25722E-02 ppm1      4.117 ppm2      2.383 CV     1
 ASSI { 1285}
   (  segid " 1SG" and resid 8    and name HG2%)
   (( segid " 1SG" and resid 29   and name HA  ))
      2.700     0.900     0.900 peak  1285 spectrum    1 weight  0.10000E+01 volume  0.25668E-02 ppm1      0.964 ppm2      4.391 CV     1
 OR { 1285}
   (  segid " 1SG" and resid 8    and name HG1%)
   (( segid " 1SG" and resid 29   and name HA  ))
 ASSI { 1286}
   (  segid " 1SG" and resid 8    and name HG2%)
   (  segid " 1SG" and resid 6    and name HD2%)
      3.300     3.300     2.700 peak  1286 spectrum    1 weight  0.10000E+01 volume  0.25662E-02 ppm1      0.928 ppm2      0.476 CV     1
 OR { 1286}
   (  segid " 1SG" and resid 8    and name HG1%)
   (  segid " 1SG" and resid 6    and name HD2%)
 ASSI { 1288}
   (( segid " 1SG" and resid 96   and name HA  ))
   (( segid " 1SG" and resid 94   and name HE2 ))
      2.800     1.000     1.000 peak  1288 spectrum    1 weight  0.10000E+01 volume  0.25495E-02 ppm1      4.809 ppm2      3.001 CV     1
 OR { 1288}
   (( segid " 1SG" and resid 96   and name HA  ))
   (( segid " 1SG" and resid 94   and name HE1 ))
 ASSI { 1297}
   (( segid " 1SG" and resid 52   and name HE2 ))
   (( segid " 1SG" and resid 52   and name HG1 ))
      2.700     0.900     0.900 peak  1297 spectrum    1 weight  0.10000E+01 volume  0.25332E-02 ppm1      2.788 ppm2      1.344 CV     1
 OR { 1297}
   (( segid " 1SG" and resid 52   and name HE2 ))
   (( segid " 1SG" and resid 52   and name HG2 ))
 ASSI { 1298}
   (( segid " 1SG" and resid 49   and name HG  ))
   (( segid " 1SG" and resid 43   and name HB2 ))
      2.200     0.600     0.600 peak  1298 spectrum    1 weight  0.10000E+01 volume  0.25307E-02 ppm1      0.801 ppm2      1.228 CV     1
 ASSI { 1302}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 22   and name HG12))
      2.500     0.800     0.800 peak  1302 spectrum    1 weight  0.10000E+01 volume  0.25218E-02 ppm1      0.611 ppm2      0.097 CV     1
 ASSI { 1303}
   (( segid " 1SG" and resid 94   and name HG2 ))
   (( segid " 1SG" and resid 94   and name HA  ))
      3.100     1.200     1.200 peak  1303 spectrum    1 weight  0.10000E+01 volume  0.25215E-02 ppm1      1.416 ppm2      4.044 CV     1
 OR { 1303}
   (( segid " 1SG" and resid 94   and name HG1 ))
   (( segid " 1SG" and resid 94   and name HA  ))
 ASSI { 1309}
   (( segid " 1SG" and resid 96   and name HA  ))
   (( segid " 1SG" and resid 96   and name HB2 ))
      2.500     0.800     0.800 peak  1309 spectrum    1 weight  0.10000E+01 volume  0.25141E-02 ppm1      4.786 ppm2      1.579 CV     1
 ASSI { 1319}
   (  segid " 1SG" and resid 76   and name HG2%)
   (( segid " 1SG" and resid 76   and name HA  ))
      2.500     0.800     0.800 peak  1319 spectrum    1 weight  0.10000E+01 volume  0.24911E-02 ppm1      0.823 ppm2      5.012 CV     1
 ASSI { 1324}
   (  segid " 1SG" and resid 6    and name HD2%)
   (  segid " 1SG" and resid 93   and name HG2%)
      2.800     1.000     1.000 peak  1324 spectrum    1 weight  0.10000E+01 volume  0.24802E-02 ppm1      0.426 ppm2      1.033 CV     1
 ASSI { 1327}
   (( segid " 1SG" and resid 68   and name HE2 ))
   (( segid " 1SG" and resid 37   and name HD2 ))
      2.200     2.200     3.800 peak  1327 spectrum    1 weight  0.10000E+01 volume  0.24717E-02 ppm1      3.032 ppm2      2.376 CV     1
 OR { 1327}
   (( segid " 1SG" and resid 68   and name HE1 ))
   (( segid " 1SG" and resid 37   and name HD2 ))
 ASSI { 1333}
   (( segid " 1SG" and resid 3    and name HA  ))
   (( segid " 1SG" and resid 4    and name HB  ))
      3.300     1.400     1.400 peak  1333 spectrum    1 weight  0.10000E+01 volume  0.24528E-02 ppm1      4.450 ppm2      2.008 CV     1
 ASSI { 1335}
   (( segid " 1SG" and resid 27   and name HA  ))
   (( segid " 1SG" and resid 27   and name HB1 ))
      2.500     0.800     0.800 peak  1335 spectrum    1 weight  0.10000E+01 volume  0.24427E-02 ppm1      5.836 ppm2      1.599 CV     1
 OR { 1335}
   (( segid " 1SG" and resid 27   and name HA  ))
   (( segid " 1SG" and resid 27   and name HB2 ))
 ASSI { 1338}
   (( segid " 1SG" and resid 19   and name HA1 ))
   (( segid " 1SG" and resid 78   and name HA  ))
      2.800     1.000     1.000 peak  1338 spectrum    1 weight  0.10000E+01 volume  0.24360E-02 ppm1      4.274 ppm2      4.121 CV     1
 OR { 1338}
   (( segid " 1SG" and resid 19   and name HA2 ))
   (( segid " 1SG" and resid 78   and name HA  ))
 ASSI { 1343}
   (( segid " 1SG" and resid 35   and name HB1 ))
   (( segid " 1SG" and resid 35   and name HA  ))
      2.600     0.800     0.800 peak  1343 spectrum    1 weight  0.10000E+01 volume  0.24289E-02 ppm1      1.791 ppm2      4.667 CV     1
 OR { 1343}
   (( segid " 1SG" and resid 35   and name HB2 ))
   (( segid " 1SG" and resid 35   and name HA  ))
 ASSI { 1346}
   (  segid " 1SG" and resid 69   and name HG2%)
   (( segid " 1SG" and resid 67   and name HB2 ))
      2.800     0.900     0.900 peak  1346 spectrum    1 weight  0.10000E+01 volume  0.24224E-02 ppm1      0.868 ppm2      3.737 CV     1
 OR { 1346}
   (  segid " 1SG" and resid 69   and name HG2%)
   (( segid " 1SG" and resid 67   and name HB1 ))
 ASSI { 1351}
   (( segid " 1SG" and resid 59   and name HB2 ))
   (( segid " 1SG" and resid 59   and name HG  ))
      2.400     0.700     0.700 peak  1351 spectrum    1 weight  0.10000E+01 volume  0.24096E-02 ppm1      1.699 ppm2      1.439 CV     1
 OR { 1351}
   (( segid " 1SG" and resid 59   and name HB1 ))
   (( segid " 1SG" and resid 59   and name HG  ))
 ASSI { 1353}
   (  segid " 1SG" and resid 104  and name HD2%)
   (( segid " 1SG" and resid 104  and name HB2 ))
      3.100     1.200     1.200 peak  1353 spectrum    1 weight  0.10000E+01 volume  0.24082E-02 ppm1      0.836 ppm2      1.210 CV     1
 ASSI { 1356}
   (  segid " 1SG" and resid 91   and name HG1%)
   (  segid " 1SG" and resid 39   and name HG1%)
      3.200     1.300     1.300 peak  1356 spectrum    1 weight  0.10000E+01 volume  0.23921E-02 ppm1      0.170 ppm2     -0.067 CV     1
 OR { 1356}
   (  segid " 1SG" and resid 91   and name HG2%)
   (  segid " 1SG" and resid 39   and name HG1%)
 ASSI { 1365}
   (( segid " 1SG" and resid 34   and name HG  ))
   (( segid " 1SG" and resid 35   and name HG1 ))
      2.700     0.900     0.900 peak  1365 spectrum    1 weight  0.10000E+01 volume  0.23766E-02 ppm1      0.938 ppm2      1.372 CV     1
 OR { 1365}
   (( segid " 1SG" and resid 34   and name HG  ))
   (( segid " 1SG" and resid 35   and name HG2 ))
 ASSI { 1367}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 22   and name HB  ))
      2.500     0.800     0.800 peak  1367 spectrum    1 weight  0.10000E+01 volume  0.23716E-02 ppm1      0.558 ppm2      1.537 CV     1
 OR { 1367}
   (  segid " 1SG" and resid 22   and name HD1%)
   (( segid " 1SG" and resid 22   and name HB  ))
 ASSI { 1368}
   (  segid " 1SG" and resid 106  and name HG2%)
   (( segid " 1SG" and resid 81   and name HA  ))
      2.500     0.800     0.800 peak  1368 spectrum    1 weight  0.10000E+01 volume  0.23708E-02 ppm1      0.389 ppm2      4.015 CV     1
 ASSI { 1375}
   (  segid " 1SG" and resid 4    and name HG2%)
   (  segid " 1SG" and resid 6    and name HD1%)
      2.500     0.800     0.800 peak  1375 spectrum    1 weight  0.10000E+01 volume  0.23459E-02 ppm1      0.911 ppm2      0.677 CV     1
 ASSI { 1378}
   (( segid " 1SG" and resid 68   and name HG1 ))
   (( segid " 1SG" and resid 68   and name HA  ))
      2.600     0.900     0.900 peak  1378 spectrum    1 weight  0.10000E+01 volume  0.23440E-02 ppm1      1.279 ppm2      3.604 CV     1
 OR { 1378}
   (( segid " 1SG" and resid 68   and name HG2 ))
   (( segid " 1SG" and resid 68   and name HA  ))
 ASSI { 1382}
   (  segid " 1SG" and resid 49   and name HD2%)
   (  segid " 1SG" and resid 49   and name HD1%)
      2.400     0.700     0.700 peak  1382 spectrum    1 weight  0.10000E+01 volume  0.23369E-02 ppm1      1.033 ppm2      1.768 CV     1
 ASSI { 1390}
   (( segid " 1SG" and resid 45   and name HE2 ))
   (( segid " 1SG" and resid 45   and name HD1 ))
      2.700     0.900     0.900 peak  1390 spectrum    1 weight  0.10000E+01 volume  0.23189E-02 ppm1      2.582 ppm2      1.239 CV     1
 OR { 1390}
   (( segid " 1SG" and resid 45   and name HE2 ))
   (( segid " 1SG" and resid 45   and name HD2 ))
 ASSI { 1393}
   (  segid " 1SG" and resid 6    and name HD1%)
   (  segid " 1SG" and resid 91   and name HG2%)
      3.000     1.100     1.100 peak  1393 spectrum    1 weight  0.10000E+01 volume  0.23093E-02 ppm1      0.673 ppm2      0.183 CV     1
 OR { 1393}
   (  segid " 1SG" and resid 6    and name HD1%)
   (  segid " 1SG" and resid 91   and name HG1%)
 ASSI { 1397}
   (( segid " 1SG" and resid 22   and name HB  ))
   (  segid " 1SG" and resid 22   and name HD1%)
      2.600     0.800     0.800 peak  1397 spectrum    1 weight  0.10000E+01 volume  0.23003E-02 ppm1      1.541 ppm2      0.551 CV     1
 ASSI { 1399}
   (( segid " 1SG" and resid 31   and name HA  ))
   (( segid " 1SG" and resid 68   and name HD1 ))
      2.700     0.900     0.900 peak  1399 spectrum    1 weight  0.10000E+01 volume  0.22957E-02 ppm1      4.175 ppm2      1.683 CV     1
 OR { 1399}
   (( segid " 1SG" and resid 31   and name HA  ))
   (( segid " 1SG" and resid 68   and name HD2 ))
 ASSI { 1400}
   (( segid " 1SG" and resid 91   and name HA  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      2.600     0.900     0.900 peak  1400 spectrum    1 weight  0.10000E+01 volume  0.22934E-02 ppm1      4.748 ppm2      0.161 CV     1
 ASSI { 1402}
   (( segid " 1SG" and resid 68   and name HG1 ))
   (( segid " 1SG" and resid 68   and name HB2 ))
      2.700     0.900     0.900 peak  1402 spectrum    1 weight  0.10000E+01 volume  0.22889E-02 ppm1      1.273 ppm2      1.772 CV     1
 OR { 1402}
   (( segid " 1SG" and resid 68   and name HG2 ))
   (( segid " 1SG" and resid 68   and name HB2 ))
 ASSI { 1404}
   (( segid " 1SG" and resid 37   and name HA  ))
   (( segid " 1SG" and resid 37   and name HB2 ))
      2.900     1.000     1.000 peak  1404 spectrum    1 weight  0.10000E+01 volume  0.22851E-02 ppm1      4.505 ppm2      1.382 CV     1
 OR { 1404}
   (( segid " 1SG" and resid 37   and name HA  ))
   (( segid " 1SG" and resid 37   and name HG2 ))
 ASSI { 1406}
   (  segid " 1SG" and resid 53   and name HG1%)
   (( segid " 1SG" and resid 58   and name HA  ))
      2.800     1.000     1.000 peak  1406 spectrum    1 weight  0.10000E+01 volume  0.22796E-02 ppm1      1.121 ppm2      4.624 CV     1
 ASSI { 1408}
   (( segid " 1SG" and resid 28   and name HA  ))
   (  segid " 1SG" and resid 28   and name HG1%)
      2.600     0.800     0.800 peak  1408 spectrum    1 weight  0.10000E+01 volume  0.22743E-02 ppm1      4.915 ppm2      0.817 CV     1
 ASSI { 1420}
   (( segid " 1SG" and resid 75   and name HA  ))
   (( segid " 1SG" and resid 75   and name HB1 ))
      2.700     0.900     0.900 peak  1420 spectrum    1 weight  0.10000E+01 volume  0.22432E-02 ppm1      5.087 ppm2      2.897 CV     1
 OR { 1420}
   (( segid " 1SG" and resid 75   and name HA  ))
   (( segid " 1SG" and resid 75   and name HB2 ))
 ASSI { 1421}
   (( segid " 1SG" and resid 45   and name HD2 ))
   (  segid " 1SG" and resid 104  and name HD2%)
      3.000     3.000     3.000 peak  1421 spectrum    1 weight  0.10000E+01 volume  0.22416E-02 ppm1      1.234 ppm2      0.834 CV     1
 OR { 1421}
   (( segid " 1SG" and resid 45   and name HD1 ))
   (  segid " 1SG" and resid 104  and name HD2%)
 ASSI { 1426}
   (( segid " 1SG" and resid 2    and name HA  ))
   (( segid " 1SG" and resid 2    and name HB2 ))
      2.600     0.800     0.800 peak  1426 spectrum    1 weight  0.10000E+01 volume  0.22350E-02 ppm1      4.912 ppm2      2.661 CV     1
 ASSI { 1428}
   (( segid " 1SG" and resid 33   and name HG  ))
   (( segid " 1SG" and resid 37   and name HG2 ))
      3.500     1.500     1.500 peak  1428 spectrum    1 weight  0.10000E+01 volume  0.22339E-02 ppm1      0.929 ppm2      1.379 CV     1
 OR { 1428}
   (( segid " 1SG" and resid 33   and name HG  ))
   (( segid " 1SG" and resid 37   and name HB2 ))
 ASSI { 1433}
   (( segid " 1SG" and resid 105  and name HB  ))
   (( segid " 1SG" and resid 15   and name HA  ))
      2.600     0.800     0.800 peak  1433 spectrum    1 weight  0.10000E+01 volume  0.22292E-02 ppm1      3.901 ppm2      5.501 CV     1
 ASSI { 1435}
   (( segid " 1SG" and resid 12   and name HA  ))
   (( segid " 1SG" and resid 12   and name HG2 ))
      2.900     1.100     1.100 peak  1435 spectrum    1 weight  0.10000E+01 volume  0.22272E-02 ppm1      4.685 ppm2      2.479 CV     1
 OR { 1435}
   (( segid " 1SG" and resid 12   and name HA  ))
   (( segid " 1SG" and resid 12   and name HG1 ))
 ASSI { 1437}
   (( segid " 1SG" and resid 61   and name HA  ))
   (( segid " 1SG" and resid 61   and name HB2 ))
      2.900     1.000     1.000 peak  1437 spectrum    1 weight  0.10000E+01 volume  0.22256E-02 ppm1      5.569 ppm2      2.306 CV     1
 ASSI { 1443}
   (( segid " 1SG" and resid 22   and name HA  ))
   (( segid " 1SG" and resid 104  and name HB2 ))
      3.500     3.500     2.500 peak  1443 spectrum    1 weight  0.10000E+01 volume  0.22124E-02 ppm1      4.357 ppm2      1.253 CV     1
 ASSI { 1453}
   (( segid " 1SG" and resid 4    and name HA  ))
   (  segid " 1SG" and resid 4    and name HD1%)
      2.900     1.000     1.000 peak  1453 spectrum    1 weight  0.10000E+01 volume  0.21968E-02 ppm1      4.030 ppm2      0.969 CV     1
 ASSI { 1456}
   (( segid " 1SG" and resid 9    and name HA  ))
   (( segid " 1SG" and resid 27   and name HD2 ))
      3.400     1.400     1.400 peak  1456 spectrum    1 weight  0.10000E+01 volume  0.21886E-02 ppm1      4.631 ppm2      3.112 CV     1
 OR { 1456}
   (( segid " 1SG" and resid 9    and name HA  ))
   (( segid " 1SG" and resid 27   and name HD1 ))
 ASSI { 1457}
   (( segid " 1SG" and resid 57   and name HG  ))
   (  segid " 1SG" and resid 49   and name HD2%)
      2.600     0.800     0.800 peak  1457 spectrum    1 weight  0.10000E+01 volume  0.21885E-02 ppm1      0.752 ppm2      1.025 CV     1
 ASSI { 1461}
   (( segid " 1SG" and resid 12   and name HB2 ))
   (( segid " 1SG" and resid 12   and name HA  ))
      3.000     1.100     1.100 peak  1461 spectrum    1 weight  0.10000E+01 volume  0.21762E-02 ppm1      1.970 ppm2      4.684 CV     1
 ASSI { 1470}
   (  segid " 1SG" and resid 106  and name HG1%)
   (( segid " 1SG" and resid 104  and name HG  ))
      2.800     1.000     1.000 peak  1470 spectrum    1 weight  0.10000E+01 volume  0.21655E-02 ppm1      0.689 ppm2      1.337 CV     1
 ASSI { 1471}
   (  segid " 1SG" and resid 76   and name HG2%)
   (( segid " 1SG" and resid 76   and name HG12))
      2.500     0.800     0.800 peak  1471 spectrum    1 weight  0.10000E+01 volume  0.21642E-02 ppm1      0.820 ppm2      1.098 CV     1
 ASSI { 1479}
   (( segid " 1SG" and resid 53   and name HA  ))
   (  segid " 1SG" and resid 57   and name HD2%)
      2.600     0.800     0.800 peak  1479 spectrum    1 weight  0.10000E+01 volume  0.21484E-02 ppm1      4.059 ppm2      0.613 CV     1
 OR { 1479}
   (( segid " 1SG" and resid 53   and name HA  ))
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI { 1481}
   (( segid " 1SG" and resid 40   and name HA  ))
   (( segid " 1SG" and resid 40   and name HB2 ))
      2.700     0.900     0.900 peak  1481 spectrum    1 weight  0.10000E+01 volume  0.21478E-02 ppm1      4.549 ppm2      1.359 CV     1
 ASSI { 1483}
   (  segid " 1SG" and resid 59   and name HD1%)
   (  segid " 1SG" and resid 74   and name HD1%)
      3.400     1.400     1.400 peak  1483 spectrum    1 weight  0.10000E+01 volume  0.21454E-02 ppm1      0.863 ppm2      0.419 CV     1
 OR { 1483}
   (  segid " 1SG" and resid 59   and name HD1%)
   (  segid " 1SG" and resid 74   and name HD2%)
 ASSI { 1490}
   (  segid " 1SG" and resid 77   and name HG2%)
   (( segid " 1SG" and resid 22   and name HB  ))
      3.100     3.100     2.900 peak  1490 spectrum    1 weight  0.10000E+01 volume  0.21254E-02 ppm1      1.074 ppm2      1.515 CV     1
 ASSI { 1493}
   (( segid " 1SG" and resid 21   and name HA  ))
   (( segid " 1SG" and resid 21   and name HB2 ))
      2.700     0.900     0.900 peak  1493 spectrum    1 weight  0.10000E+01 volume  0.21216E-02 ppm1      5.515 ppm2      3.764 CV     1
 ASSI { 1494}
   (( segid " 1SG" and resid 74   and name HB2 ))
   (  segid " 1SG" and resid 74   and name HD2%)
      2.800     1.000     1.000 peak  1494 spectrum    1 weight  0.10000E+01 volume  0.21212E-02 ppm1     -0.825 ppm2      0.419 CV     1
 OR { 1494}
   (( segid " 1SG" and resid 74   and name HB2 ))
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI { 1497}
   (( segid " 1SG" and resid 71   and name HB2 ))
   (  segid " 1SG" and resid 71   and name HD2%)
      2.700     0.900     0.900 peak  1497 spectrum    1 weight  0.10000E+01 volume  0.21175E-02 ppm1      1.272 ppm2      0.752 CV     1
 ASSI { 1504}
   (( segid " 1SG" and resid 105  and name HB  ))
   (( segid " 1SG" and resid 15   and name HG2 ))
      2.700     0.900     0.900 peak  1504 spectrum    1 weight  0.10000E+01 volume  0.21073E-02 ppm1      3.909 ppm2      2.266 CV     1
 OR { 1504}
   (( segid " 1SG" and resid 105  and name HB  ))
   (( segid " 1SG" and resid 15   and name HG1 ))
 ASSI { 1508}
   (( segid " 1SG" and resid 76   and name HB  ))
   (  segid " 1SG" and resid 76   and name HD1%)
      2.500     0.800     0.800 peak  1508 spectrum    1 weight  0.10000E+01 volume  0.20959E-02 ppm1      1.941 ppm2      0.670 CV     1
 ASSI { 1515}
   (( segid " 1SG" and resid 18   and name HA  ))
   (( segid " 1SG" and resid 18   and name HB  ))
      2.800     0.900     0.900 peak  1515 spectrum    1 weight  0.10000E+01 volume  0.20862E-02 ppm1      3.515 ppm2      1.933 CV     1
 ASSI { 1516}
   (( segid " 1SG" and resid 36   and name HB2 ))
   (( segid " 1SG" and resid 36   and name HG2 ))
      2.600     0.800     0.800 peak  1516 spectrum    1 weight  0.10000E+01 volume  0.20839E-02 ppm1      1.634 ppm2      1.985 CV     1
 ASSI { 1518}
   (( segid " 1SG" and resid 34   and name HA  ))
   (( segid " 1SG" and resid 94   and name HA  ))
      3.300     3.300     2.700 peak  1518 spectrum    1 weight  0.10000E+01 volume  0.20824E-02 ppm1      4.293 ppm2      4.063 CV     1
 ASSI { 1523}
   (( segid " 1SG" and resid 59   and name HG  ))
   (  segid " 1SG" and resid 57   and name HD1%)
      3.600     1.600     1.600 peak  1523 spectrum    1 weight  0.10000E+01 volume  0.20714E-02 ppm1      1.446 ppm2      0.612 CV     1
 OR { 1523}
   (( segid " 1SG" and resid 59   and name HG  ))
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI { 1529}
   (( segid " 1SG" and resid 25   and name HA  ))
   (( segid " 1SG" and resid 73   and name HA  ))
      2.500     0.800     0.800 peak  1529 spectrum    1 weight  0.10000E+01 volume  0.20614E-02 ppm1      5.692 ppm2      5.470 CV     1
 ASSI { 1539}
   (( segid " 1SG" and resid 106  and name HA  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      2.600     0.900     0.900 peak  1539 spectrum    1 weight  0.10000E+01 volume  0.20472E-02 ppm1      4.721 ppm2      0.624 CV     1
 ASSI { 1545}
   (( segid " 1SG" and resid 14   and name HA2 ))
   (  segid " 1SG" and resid 22   and name HD1%)
      3.600     1.600     1.600 peak  1545 spectrum    1 weight  0.10000E+01 volume  0.20258E-02 ppm1      4.934 ppm2      0.546 CV     1
 ASSI { 1547}
   (  segid " 1SG" and resid 18   and name HG2%)
   (( segid " 1SG" and resid 81   and name HD2 ))
      3.300     1.400     1.400 peak  1547 spectrum    1 weight  0.10000E+01 volume  0.20223E-02 ppm1      0.966 ppm2      3.590 CV     1
 ASSI { 1554}
   (  segid " 1SG" and resid 71   and name HD2%)
   (  segid " 1SG" and resid 74   and name HD2%)
      3.200     3.200     2.800 peak  1554 spectrum    1 weight  0.10000E+01 volume  0.20110E-02 ppm1      0.716 ppm2      0.408 CV     1
 OR { 1554}
   (  segid " 1SG" and resid 71   and name HD2%)
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI { 1572}
   (  segid " 1SG" and resid 79   and name HB% )
   (( segid " 1SG" and resid 18   and name HA  ))
      2.800     1.000     1.000 peak  1572 spectrum    1 weight  0.10000E+01 volume  0.19869E-02 ppm1      1.195 ppm2      3.508 CV     1
 ASSI { 1580}
   (( segid " 1SG" and resid 61   and name HB2 ))
   (( segid " 1SG" and resid 63   and name HB2 ))
      2.700     2.700     3.300 peak  1580 spectrum    1 weight  0.10000E+01 volume  0.19692E-02 ppm1      2.281 ppm2      2.543 CV     1
 ASSI { 1587}
   (  segid " 1SG" and resid 39   and name HG1%)
   (( segid " 1SG" and resid 39   and name HA  ))
      2.600     0.900     0.900 peak  1587 spectrum    1 weight  0.10000E+01 volume  0.19651E-02 ppm1     -0.057 ppm2      4.810 CV     1
 ASSI { 1598}
   (( segid " 1SG" and resid 53   and name HA  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      3.300     1.400     1.400 peak  1598 spectrum    1 weight  0.10000E+01 volume  0.19488E-02 ppm1      4.052 ppm2      1.467 CV     1
 ASSI { 1605}
   (( segid " 1SG" and resid 88   and name HB2 ))
   (( segid " 1SG" and resid 40   and name HD1 ))
      2.900     2.900     3.100 peak  1605 spectrum    1 weight  0.10000E+01 volume  0.19423E-02 ppm1      1.705 ppm2      1.711 CV     1
 OR { 1605}
   (( segid " 1SG" and resid 88   and name HB2 ))
   (( segid " 1SG" and resid 40   and name HD2 ))
 ASSI { 1616}
   (( segid " 1SG" and resid 108  and name HG2 ))
   (( segid " 1SG" and resid 108  and name HA  ))
      2.800     1.000     1.000 peak  1616 spectrum    1 weight  0.10000E+01 volume  0.19229E-02 ppm1      2.201 ppm2      4.149 CV     1
 OR { 1616}
   (( segid " 1SG" and resid 108  and name HG1 ))
   (( segid " 1SG" and resid 108  and name HA  ))
 ASSI { 1617}
   (( segid " 1SG" and resid 74   and name HB2 ))
   (  segid " 1SG" and resid 57   and name HD1%)
      3.700     1.700     1.700 peak  1617 spectrum    1 weight  0.10000E+01 volume  0.19225E-02 ppm1     -0.817 ppm2      0.626 CV     1
 OR { 1617}
   (( segid " 1SG" and resid 74   and name HB2 ))
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI { 1622}
   (( segid " 1SG" and resid 45   and name HG2 ))
   (( segid " 1SG" and resid 45   and name HA  ))
      2.800     1.000     1.000 peak  1622 spectrum    1 weight  0.10000E+01 volume  0.19190E-02 ppm1      0.599 ppm2      3.499 CV     1
 ASSI { 1624}
   (( segid " 1SG" and resid 68   and name HA  ))
   (( segid " 1SG" and resid 68   and name HB2 ))
      2.700     0.900     0.900 peak  1624 spectrum    1 weight  0.10000E+01 volume  0.19169E-02 ppm1      3.604 ppm2      1.772 CV     1
 ASSI { 1631}
   (( segid " 1SG" and resid 16   and name HB  ))
   (  segid " 1SG" and resid 22   and name HD1%)
      3.500     1.500     1.500 peak  1631 spectrum    1 weight  0.10000E+01 volume  0.19012E-02 ppm1      1.820 ppm2      0.552 CV     1
 ASSI { 1634}
   (  segid " 1SG" and resid 59   and name HD1%)
   (( segid " 1SG" and resid 43   and name HB2 ))
      3.700     1.700     1.700 peak  1634 spectrum    1 weight  0.10000E+01 volume  0.18919E-02 ppm1      0.832 ppm2      1.231 CV     1
 ASSI { 1636}
   (( segid " 1SG" and resid 8    and name HB  ))
   (( segid " 1SG" and resid 27   and name HB2 ))
      2.600     0.800     0.800 peak  1636 spectrum    1 weight  0.10000E+01 volume  0.18875E-02 ppm1      1.813 ppm2      1.600 CV     1
 OR { 1636}
   (( segid " 1SG" and resid 8    and name HB  ))
   (( segid " 1SG" and resid 27   and name HB1 ))
 ASSI { 1638}
   (( segid " 1SG" and resid 108  and name HA  ))
   (  segid " 1SG" and resid 18   and name HG1%)
      3.700     1.700     1.700 peak  1638 spectrum    1 weight  0.10000E+01 volume  0.18814E-02 ppm1      4.155 ppm2      1.005 CV     1
 ASSI { 1643}
   (( segid " 1SG" and resid 45   and name HB2 ))
   (( segid " 1SG" and resid 45   and name HA  ))
      2.800     1.000     1.000 peak  1643 spectrum    1 weight  0.10000E+01 volume  0.18764E-02 ppm1      0.604 ppm2      3.498 CV     1
 ASSI { 1653}
   (( segid " 1SG" and resid 4    and name HB  ))
   (( segid " 1SG" and resid 96   and name HB2 ))
      2.700     0.900     0.900 peak  1653 spectrum    1 weight  0.10000E+01 volume  0.18580E-02 ppm1      2.052 ppm2      1.589 CV     1
 ASSI { 1657}
   (( segid " 1SG" and resid 52   and name HD2 ))
   (( segid " 1SG" and resid 48   and name HB2 ))
      2.700     0.900     0.900 peak  1657 spectrum    1 weight  0.10000E+01 volume  0.18484E-02 ppm1      1.575 ppm2      2.922 CV     1
 OR { 1657}
   (( segid " 1SG" and resid 52   and name HD1 ))
   (( segid " 1SG" and resid 48   and name HB2 ))
 ASSI { 1660}
   (( segid " 1SG" and resid 76   and name HG12))
   (  segid " 1SG" and resid 57   and name HD1%)
      2.400     0.700     0.700 peak  1660 spectrum    1 weight  0.10000E+01 volume  0.18464E-02 ppm1      1.094 ppm2      0.621 CV     1
 OR { 1660}
   (( segid " 1SG" and resid 76   and name HG12))
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI { 1671}
   (( segid " 1SG" and resid 60   and name HB2 ))
   (( segid " 1SG" and resid 60   and name HA  ))
      3.000     1.100     1.100 peak  1671 spectrum    1 weight  0.10000E+01 volume  0.18312E-02 ppm1      2.975 ppm2      5.071 CV     1
 ASSI { 1672}
   (( segid " 1SG" and resid 43   and name HD1 ))
   (  segid " 1SG" and resid 49   and name HD1%)
      3.400     1.400     1.400 peak  1672 spectrum    1 weight  0.10000E+01 volume  0.18302E-02 ppm1      1.322 ppm2      1.761 CV     1
 OR { 1672}
   (( segid " 1SG" and resid 43   and name HD2 ))
   (  segid " 1SG" and resid 49   and name HD1%)
 ASSI { 1674}
   (( segid " 1SG" and resid 52   and name HB2 ))
   (( segid " 1SG" and resid 52   and name HG2 ))
      2.600     0.800     0.800 peak  1674 spectrum    1 weight  0.10000E+01 volume  0.18281E-02 ppm1      1.737 ppm2      1.330 CV     1
 OR { 1674}
   (( segid " 1SG" and resid 52   and name HB2 ))
   (( segid " 1SG" and resid 52   and name HG1 ))
 ASSI { 1676}
   (( segid " 1SG" and resid 36   and name HA  ))
   (( segid " 1SG" and resid 37   and name HD2 ))
      2.600     0.900     0.900 peak  1676 spectrum    1 weight  0.10000E+01 volume  0.18255E-02 ppm1      4.005 ppm2      2.360 CV     1
 ASSI { 1689}
   (( segid " 1SG" and resid 16   and name HA  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      3.200     1.300     1.300 peak  1689 spectrum    1 weight  0.10000E+01 volume  0.18083E-02 ppm1      4.604 ppm2      0.629 CV     1
 ASSI { 1694}
   (( segid " 1SG" and resid 57   and name HB2 ))
   (  segid " 1SG" and resid 57   and name HD1%)
      2.800     1.000     1.000 peak  1694 spectrum    1 weight  0.10000E+01 volume  0.17983E-02 ppm1      1.477 ppm2      0.615 CV     1
 OR { 1694}
   (( segid " 1SG" and resid 57   and name HB2 ))
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI { 1700}
   (( segid " 1SG" and resid 35   and name HG1 ))
   (( segid " 1SG" and resid 35   and name HA  ))
      3.200     1.300     1.300 peak  1700 spectrum    1 weight  0.10000E+01 volume  0.17923E-02 ppm1      1.361 ppm2      4.667 CV     1
 OR { 1700}
   (( segid " 1SG" and resid 35   and name HG2 ))
   (( segid " 1SG" and resid 35   and name HA  ))
 ASSI { 1703}
   (( segid " 1SG" and resid 25   and name HB2 ))
   (( segid " 1SG" and resid 25   and name HA  ))
      3.000     1.200     1.200 peak  1703 spectrum    1 weight  0.10000E+01 volume  0.17916E-02 ppm1      3.602 ppm2      5.692 CV     1
 ASSI { 1707}
   (( segid " 1SG" and resid 105  and name HA  ))
   (( segid " 1SG" and resid 84   and name HA  ))
      2.800     1.000     1.000 peak  1707 spectrum    1 weight  0.10000E+01 volume  0.17884E-02 ppm1      4.518 ppm2      4.230 CV     1
 ASSI { 1720}
   (( segid " 1SG" and resid 36   and name HA  ))
   (( segid " 1SG" and resid 36   and name HB2 ))
      3.100     1.200     1.200 peak  1720 spectrum    1 weight  0.10000E+01 volume  0.17747E-02 ppm1      4.007 ppm2      1.642 CV     1
 ASSI { 1727}
   (  segid " 1SG" and resid 104  and name HD1%)
   (  segid " 1SG" and resid 24   and name HE% )
      2.300     2.300     3.700 peak  1727 spectrum    1 weight  0.10000E+01 volume  0.17641E-02 ppm1      0.987 ppm2      7.171 CV     1
 ASSI { 1730}
   (  segid " 1SG" and resid 49   and name HD2%)
   (( segid " 1SG" and resid 59   and name HB2 ))
      2.400     0.700     0.700 peak  1730 spectrum    1 weight  0.10000E+01 volume  0.17633E-02 ppm1      1.042 ppm2      1.718 CV     1
 OR { 1730}
   (  segid " 1SG" and resid 49   and name HD2%)
   (( segid " 1SG" and resid 59   and name HB1 ))
 ASSI { 1748}
   (( segid " 1SG" and resid 23   and name HB  ))
   (( segid " 1SG" and resid 23   and name HA  ))
      2.900     1.000     1.000 peak  1748 spectrum    1 weight  0.10000E+01 volume  0.17366E-02 ppm1      3.583 ppm2      5.116 CV     1
 ASSI { 1752}
   (  segid " 1SG" and resid 74   and name HD1%)
   (  segid " 1SG" and resid 59   and name HD1%)
      3.300     1.400     1.400 peak  1752 spectrum    1 weight  0.10000E+01 volume  0.17270E-02 ppm1      0.412 ppm2      0.852 CV     1
 ASSI { 1760}
   (( segid " 1SG" and resid 49   and name HB2 ))
   (( segid " 1SG" and resid 52   and name HB2 ))
      3.600     1.600     1.600 peak  1760 spectrum    1 weight  0.10000E+01 volume  0.17142E-02 ppm1      1.571 ppm2      1.728 CV     1
 ASSI { 1764}
   (  segid " 1SG" and resid 76   and name HG2%)
   (( segid " 1SG" and resid 79   and name HA  ))
      2.800     1.000     1.000 peak  1764 spectrum    1 weight  0.10000E+01 volume  0.17086E-02 ppm1      0.825 ppm2      3.685 CV     1
 ASSI { 1771}
   (( segid " 1SG" and resid 36   and name HD2 ))
   (( segid " 1SG" and resid 36   and name HG2 ))
      2.600     0.900     0.900 peak  1771 spectrum    1 weight  0.10000E+01 volume  0.17031E-02 ppm1      3.510 ppm2      1.963 CV     1
 ASSI { 1789}
   (( segid " 1SG" and resid 9    and name HB2 ))
   (( segid " 1SG" and resid 9    and name HA  ))
      2.700     0.900     0.900 peak  1789 spectrum    1 weight  0.10000E+01 volume  0.16910E-02 ppm1      1.915 ppm2      4.655 CV     1
 ASSI { 1791}
   (( segid " 1SG" and resid 8    and name HB  ))
   (( segid " 1SG" and resid 8    and name HA  ))
      2.900     1.000     1.000 peak  1791 spectrum    1 weight  0.10000E+01 volume  0.16886E-02 ppm1      1.840 ppm2      4.168 CV     1
 ASSI { 1800}
   (  segid " 1SG" and resid 18   and name HG2%)
   (( segid " 1SG" and resid 80   and name HE21))
      3.400     3.400     2.600 peak  1800 spectrum    1 weight  0.10000E+01 volume  0.16783E-02 ppm1      0.979 ppm2      6.971 CV     1
 ASSI { 1802}
   (( segid " 1SG" and resid 72   and name HB2 ))
   (( segid " 1SG" and resid 72   and name HA  ))
      2.800     1.000     1.000 peak  1802 spectrum    1 weight  0.10000E+01 volume  0.16743E-02 ppm1      2.934 ppm2      5.351 CV     1
 ASSI { 1807}
   (( segid " 1SG" and resid 92   and name HB1 ))
   (  segid " 1SG" and resid 93   and name HG2%)
      3.300     3.300     2.700 peak  1807 spectrum    1 weight  0.10000E+01 volume  0.16690E-02 ppm1      3.877 ppm2      1.043 CV     1
 OR { 1807}
   (( segid " 1SG" and resid 92   and name HB2 ))
   (  segid " 1SG" and resid 93   and name HG2%)
 ASSI { 1808}
   (( segid " 1SG" and resid 6    and name HG  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      2.600     0.900     0.900 peak  1808 spectrum    1 weight  0.10000E+01 volume  0.16673E-02 ppm1      1.340 ppm2      0.494 CV     1
 ASSI { 1809}
   (( segid " 1SG" and resid 24   and name HA  ))
   (( segid " 1SG" and resid 24   and name HB2 ))
      3.000     1.100     1.100 peak  1809 spectrum    1 weight  0.10000E+01 volume  0.16672E-02 ppm1      4.619 ppm2      2.415 CV     1
 ASSI { 1812}
   (( segid " 1SG" and resid 103  and name HB2 ))
   (( segid " 1SG" and resid 103  and name HA  ))
      3.100     1.200     1.200 peak  1812 spectrum    1 weight  0.10000E+01 volume  0.16625E-02 ppm1      2.506 ppm2      5.551 CV     1
 ASSI { 1815}
   (( segid " 1SG" and resid 105  and name HA  ))
   (( segid " 1SG" and resid 105  and name HB  ))
      2.800     1.000     1.000 peak  1815 spectrum    1 weight  0.10000E+01 volume  0.16606E-02 ppm1      4.515 ppm2      3.913 CV     1
 ASSI { 1823}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 104  and name HB2 ))
      3.300     1.300     1.300 peak  1823 spectrum    1 weight  0.10000E+01 volume  0.16538E-02 ppm1      0.619 ppm2      1.254 CV     1
 ASSI { 1826}
   (  segid " 1SG" and resid 91   and name HG2%)
   (  segid " 1SG" and resid 93   and name HG2%)
      3.300     1.400     1.400 peak  1826 spectrum    1 weight  0.10000E+01 volume  0.16492E-02 ppm1      0.186 ppm2      1.045 CV     1
 OR { 1826}
   (  segid " 1SG" and resid 91   and name HG1%)
   (  segid " 1SG" and resid 93   and name HG2%)
 ASSI { 1831}
   (  segid " 1SG" and resid 49   and name HD2%)
   (( segid " 1SG" and resid 49   and name HB2 ))
      2.900     1.100     1.100 peak  1831 spectrum    1 weight  0.10000E+01 volume  0.16434E-02 ppm1      1.030 ppm2      1.580 CV     1
 ASSI { 1841}
   (( segid " 1SG" and resid 52   and name HB2 ))
   (( segid " 1SG" and resid 52   and name HA  ))
      3.100     1.200     1.200 peak  1841 spectrum    1 weight  0.10000E+01 volume  0.16308E-02 ppm1      1.738 ppm2      4.629 CV     1
 ASSI { 1843}
   (( segid " 1SG" and resid 58   and name HA  ))
   (( segid " 1SG" and resid 58   and name HG2 ))
      3.400     1.500     1.500 peak  1843 spectrum    1 weight  0.10000E+01 volume  0.16298E-02 ppm1      4.621 ppm2      1.817 CV     1
 ASSI { 1852}
   (( segid " 1SG" and resid 69   and name HA  ))
   (( segid " 1SG" and resid 29   and name HA  ))
      2.800     1.000     1.000 peak  1852 spectrum    1 weight  0.10000E+01 volume  0.16130E-02 ppm1      4.592 ppm2      4.392 CV     1
 ASSI { 1853}
   (( segid " 1SG" and resid 57   and name HG  ))
   (( segid " 1SG" and resid 49   and name HB2 ))
      3.400     1.400     1.400 peak  1853 spectrum    1 weight  0.10000E+01 volume  0.16123E-02 ppm1      0.753 ppm2      1.558 CV     1
 ASSI { 1858}
   (( segid " 1SG" and resid 96   and name HB2 ))
   (( segid " 1SG" and resid 4    and name HG12))
      2.700     0.900     0.900 peak  1858 spectrum    1 weight  0.10000E+01 volume  0.16056E-02 ppm1      1.612 ppm2      1.245 CV     1
 ASSI { 1870}
   (( segid " 1SG" and resid 15   and name HA  ))
   (( segid " 1SG" and resid 15   and name HG2 ))
      2.900     1.000     1.000 peak  1870 spectrum    1 weight  0.10000E+01 volume  0.15906E-02 ppm1      5.504 ppm2      2.280 CV     1
 OR { 1870}
   (( segid " 1SG" and resid 15   and name HA  ))
   (( segid " 1SG" and resid 15   and name HG1 ))
 ASSI { 1875}
   (( segid " 1SG" and resid 22   and name HB  ))
   (( segid " 1SG" and resid 104  and name HB2 ))
      3.200     1.300     1.300 peak  1875 spectrum    1 weight  0.10000E+01 volume  0.15877E-02 ppm1      1.541 ppm2      1.250 CV     1
 ASSI { 1880}
   (( segid " 1SG" and resid 56   and name HA  ))
   (( segid " 1SG" and resid 56   and name HB2 ))
      2.900     1.100     1.100 peak  1880 spectrum    1 weight  0.10000E+01 volume  0.15834E-02 ppm1      4.971 ppm2      3.108 CV     1
 ASSI { 1887}
   (( segid " 1SG" and resid 4    and name HB  ))
   (( segid " 1SG" and resid 4    and name HA  ))
      2.800     1.000     1.000 peak  1887 spectrum    1 weight  0.10000E+01 volume  0.15809E-02 ppm1      2.054 ppm2      4.033 CV     1
 ASSI { 1888}
   (( segid " 1SG" and resid 37   and name HB2 ))
   (( segid " 1SG" and resid 37   and name HA  ))
      2.900     1.100     1.100 peak  1888 spectrum    1 weight  0.10000E+01 volume  0.15801E-02 ppm1      1.383 ppm2      4.501 CV     1
 ASSI { 1889}
   (( segid " 1SG" and resid 91   and name HA  ))
   (( segid " 1SG" and resid 91   and name HB  ))
      2.600     0.800     0.800 peak  1889 spectrum    1 weight  0.10000E+01 volume  0.15797E-02 ppm1      4.743 ppm2      1.134 CV     1
 ASSI { 1895}
   (( segid " 1SG" and resid 6    and name HG  ))
   (  segid " 1SG" and resid 6    and name HD1%)
      2.600     0.900     0.900 peak  1895 spectrum    1 weight  0.10000E+01 volume  0.15747E-02 ppm1      1.341 ppm2      0.677 CV     1
 ASSI { 1898}
   (( segid " 1SG" and resid 49   and name HA  ))
   (( segid " 1SG" and resid 52   and name HB2 ))
      2.800     1.000     1.000 peak  1898 spectrum    1 weight  0.10000E+01 volume  0.15740E-02 ppm1      3.862 ppm2      1.730 CV     1
 ASSI { 1902}
   (( segid " 1SG" and resid 27   and name HA  ))
   (( segid " 1SG" and resid 71   and name HA  ))
      2.500     0.800     0.800 peak  1902 spectrum    1 weight  0.10000E+01 volume  0.15686E-02 ppm1      5.835 ppm2      5.076 CV     1
 ASSI { 1905}
   (  segid " 1SG" and resid 104  and name HD1%)
   (( segid " 1SG" and resid 14   and name HA1 ))
      3.000     1.100     1.100 peak  1905 spectrum    1 weight  0.10000E+01 volume  0.15635E-02 ppm1      0.975 ppm2      3.753 CV     1
 ASSI { 1907}
   (( segid " 1SG" and resid 4    and name HB  ))
   (( segid " 1SG" and resid 4    and name HG12))
      2.500     0.800     0.800 peak  1907 spectrum    1 weight  0.10000E+01 volume  0.15573E-02 ppm1      2.046 ppm2      1.247 CV     1
 ASSI { 1908}
   (( segid " 1SG" and resid 45   and name HG2 ))
   (( segid " 1SG" and resid 45   and name HD1 ))
      2.900     1.000     1.000 peak  1908 spectrum    1 weight  0.10000E+01 volume  0.15569E-02 ppm1      0.596 ppm2      1.238 CV     1
 OR { 1908}
   (( segid " 1SG" and resid 45   and name HG2 ))
   (( segid " 1SG" and resid 45   and name HD2 ))
 ASSI { 1924}
   (( segid " 1SG" and resid 43   and name HB2 ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      3.200     3.200     2.800 peak  1924 spectrum    1 weight  0.10000E+01 volume  0.15329E-02 ppm1      1.237 ppm2      1.469 CV     1
 ASSI { 1936}
   (  segid " 1SG" and resid 39   and name HG2%)
   (  segid " 1SG" and resid 28   and name HG2%)
      2.800     1.000     1.000 peak  1936 spectrum    1 weight  0.10000E+01 volume  0.15261E-02 ppm1     -0.444 ppm2      0.644 CV     1
 ASSI { 1950}
   (( segid " 1SG" and resid 24   and name HA  ))
   (( segid " 1SG" and resid 12   and name HG2 ))
      2.400     2.400     3.600 peak  1950 spectrum    1 weight  0.10000E+01 volume  0.15123E-02 ppm1      4.620 ppm2      2.453 CV     1
 OR { 1950}
   (( segid " 1SG" and resid 24   and name HA  ))
   (( segid " 1SG" and resid 12   and name HG1 ))
 ASSI { 1953}
   (  segid " 1SG" and resid 8    and name HG1%)
   (( segid " 1SG" and resid 27   and name HD1 ))
      3.100     1.200     1.200 peak  1953 spectrum    1 weight  0.10000E+01 volume  0.15104E-02 ppm1      0.980 ppm2      3.114 CV     1
 OR { 1953}
   (  segid " 1SG" and resid 8    and name HG1%)
   (( segid " 1SG" and resid 27   and name HD2 ))
 OR { 1953}
   (  segid " 1SG" and resid 8    and name HG2%)
   (( segid " 1SG" and resid 27   and name HD1 ))
 OR { 1953}
   (  segid " 1SG" and resid 8    and name HG2%)
   (( segid " 1SG" and resid 27   and name HD2 ))
 ASSI { 1956}
   (( segid " 1SG" and resid 83   and name HA  ))
   (( segid " 1SG" and resid 83   and name HB2 ))
      2.900     1.100     1.100 peak  1956 spectrum    1 weight  0.10000E+01 volume  0.15087E-02 ppm1      4.609 ppm2      3.190 CV     1
 ASSI { 1958}
   (( segid " 1SG" and resid 40   and name HA  ))
   (( segid " 1SG" and resid 40   and name HG2 ))
      3.300     1.400     1.400 peak  1958 spectrum    1 weight  0.10000E+01 volume  0.15043E-02 ppm1      4.545 ppm2      1.245 CV     1
 OR { 1958}
   (( segid " 1SG" and resid 40   and name HA  ))
   (( segid " 1SG" and resid 40   and name HG1 ))
 ASSI { 1965}
   (( segid " 1SG" and resid 83   and name HA  ))
   (( segid " 1SG" and resid 44   and name HA2 ))
      3.200     3.200     2.800 peak  1965 spectrum    1 weight  0.10000E+01 volume  0.15001E-02 ppm1      4.568 ppm2      3.808 CV     1
 ASSI { 1969}
   (( segid " 1SG" and resid 12   and name HB2 ))
   (  segid " 1SG" and resid 22   and name HD1%)
      2.900     2.900     3.100 peak  1969 spectrum    1 weight  0.10000E+01 volume  0.14951E-02 ppm1      1.944 ppm2      0.544 CV     1
 ASSI { 1970}
   (  segid " 1SG" and resid 91   and name HG2%)
   (( segid " 1SG" and resid 38   and name HA  ))
      3.300     1.300     1.300 peak  1970 spectrum    1 weight  0.10000E+01 volume  0.14932E-02 ppm1      0.115 ppm2      3.907 CV     1
 ASSI { 1987}
   (( segid " 1SG" and resid 36   and name HD2 ))
   (( segid " 1SG" and resid 35   and name HB2 ))
      2.800     1.000     1.000 peak  1987 spectrum    1 weight  0.10000E+01 volume  0.14744E-02 ppm1      3.509 ppm2      1.780 CV     1
 OR { 1987}
   (( segid " 1SG" and resid 36   and name HD2 ))
   (( segid " 1SG" and resid 35   and name HB1 ))
 ASSI { 1991}
   (  segid " 1SG" and resid 18   and name HG1%)
   (( segid " 1SG" and resid 81   and name HD2 ))
      3.900     1.900     1.900 peak  1991 spectrum    1 weight  0.10000E+01 volume  0.14698E-02 ppm1      1.013 ppm2      3.582 CV     1
 ASSI { 1993}
   (( segid " 1SG" and resid 71   and name HA  ))
   (( segid " 1SG" and resid 71   and name HB2 ))
      2.600     0.800     0.800 peak  1993 spectrum    1 weight  0.10000E+01 volume  0.14678E-02 ppm1      5.070 ppm2      1.269 CV     1
 ASSI { 1994}
   (( segid " 1SG" and resid 103  and name HA  ))
   (( segid " 1SG" and resid 86   and name HA2 ))
      2.600     0.900     0.900 peak  1994 spectrum    1 weight  0.10000E+01 volume  0.14673E-02 ppm1      5.554 ppm2      4.675 CV     1
 ASSI { 1996}
   (( segid " 1SG" and resid 81   and name HD2 ))
   (( segid " 1SG" and resid 80   and name HG1 ))
      2.800     1.000     1.000 peak  1996 spectrum    1 weight  0.10000E+01 volume  0.14660E-02 ppm1      3.576 ppm2      2.181 CV     1
 OR { 1996}
   (( segid " 1SG" and resid 81   and name HD2 ))
   (( segid " 1SG" and resid 80   and name HG2 ))
 ASSI { 2006}
   (( segid " 1SG" and resid 22   and name HA  ))
   (  segid " 1SG" and resid 22   and name HD1%)
      2.900     1.000     1.000 peak  2006 spectrum    1 weight  0.10000E+01 volume  0.14542E-02 ppm1      4.352 ppm2      0.547 CV     1
 ASSI { 2013}
   (( segid " 1SG" and resid 53   and name HB  ))
   (( segid " 1SG" and resid 52   and name HG2 ))
      3.500     1.600     1.600 peak  2013 spectrum    1 weight  0.10000E+01 volume  0.14490E-02 ppm1      2.167 ppm2      1.347 CV     1
 OR { 2013}
   (( segid " 1SG" and resid 53   and name HB  ))
   (( segid " 1SG" and resid 52   and name HG1 ))
 ASSI { 2016}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 22   and name HA  ))
      3.200     1.300     1.300 peak  2016 spectrum    1 weight  0.10000E+01 volume  0.14475E-02 ppm1      0.604 ppm2      4.356 CV     1
 ASSI { 2017}
   (( segid " 1SG" and resid 90   and name HA  ))
   (( segid " 1SG" and resid 99   and name HA  ))
      2.800     1.000     1.000 peak  2017 spectrum    1 weight  0.10000E+01 volume  0.14470E-02 ppm1      4.768 ppm2      5.709 CV     1
 ASSI { 2018}
   (( segid " 1SG" and resid 68   and name HE2 ))
   (( segid " 1SG" and resid 37   and name HG2 ))
      2.400     2.400     3.600 peak  2018 spectrum    1 weight  0.10000E+01 volume  0.14457E-02 ppm1      3.019 ppm2      1.361 CV     1
 OR { 2018}
   (( segid " 1SG" and resid 68   and name HE1 ))
   (( segid " 1SG" and resid 37   and name HG2 ))
 OR { 2018}
   (( segid " 1SG" and resid 68   and name HE2 ))
   (( segid " 1SG" and resid 37   and name HB2 ))
 OR { 2018}
   (( segid " 1SG" and resid 68   and name HE1 ))
   (( segid " 1SG" and resid 37   and name HB2 ))
 ASSI { 2024}
   (  segid " 1SG" and resid 49   and name HD2%)
   (  segid " 1SG" and resid 87   and name HD% )
      2.700     0.900     0.900 peak  2024 spectrum    1 weight  0.10000E+01 volume  0.14388E-02 ppm1      1.029 ppm2      6.809 CV     1
 ASSI { 2025}
   (( segid " 1SG" and resid 4    and name HA  ))
   (( segid " 1SG" and resid 4    and name HG12))
      3.700     1.700     1.700 peak  2025 spectrum    1 weight  0.10000E+01 volume  0.14382E-02 ppm1      4.024 ppm2      1.245 CV     1
 ASSI { 2029}
   (( segid " 1SG" and resid 56   and name HA  ))
   (  segid " 1SG" and resid 77   and name HG2%)
      3.200     1.300     1.300 peak  2029 spectrum    1 weight  0.10000E+01 volume  0.14371E-02 ppm1      4.981 ppm2      1.049 CV     1
 ASSI { 2030}
   (  segid " 1SG" and resid 104  and name HD1%)
   (( segid " 1SG" and resid 15   and name HA  ))
      3.000     1.100     1.100 peak  2030 spectrum    1 weight  0.10000E+01 volume  0.14368E-02 ppm1      0.983 ppm2      5.499 CV     1
 ASSI { 2047}
   (( segid " 1SG" and resid 40   and name HB2 ))
   (( segid " 1SG" and resid 40   and name HD2 ))
      2.800     1.000     1.000 peak  2047 spectrum    1 weight  0.10000E+01 volume  0.14210E-02 ppm1      1.370 ppm2      1.689 CV     1
 OR { 2047}
   (( segid " 1SG" and resid 40   and name HB2 ))
   (( segid " 1SG" and resid 40   and name HD1 ))
 ASSI { 2066}
   (( segid " 1SG" and resid 10   and name HB2 ))
   (  segid " 1SG" and resid 26   and name HB% )
      3.700     1.700     1.700 peak  2066 spectrum    1 weight  0.10000E+01 volume  0.14013E-02 ppm1      1.238 ppm2      1.481 CV     1
 ASSI { 2073}
   (  segid " 1SG" and resid 76   and name HD1%)
   (  segid " 1SG" and resid 24   and name HE% )
      2.800     1.000     1.000 peak  2073 spectrum    1 weight  0.10000E+01 volume  0.13942E-02 ppm1      0.676 ppm2      7.166 CV     1
 ASSI { 2077}
   (( segid " 1SG" and resid 50   and name HA  ))
   (( segid " 1SG" and resid 52   and name HD1 ))
      3.400     3.400     2.600 peak  2077 spectrum    1 weight  0.10000E+01 volume  0.13919E-02 ppm1      4.015 ppm2      1.596 CV     1
 OR { 2077}
   (( segid " 1SG" and resid 50   and name HA  ))
   (( segid " 1SG" and resid 52   and name HD2 ))
 OR { 2077}
   (( segid " 1SG" and resid 50   and name HB2 ))
   (( segid " 1SG" and resid 52   and name HD1 ))
 OR { 2077}
   (( segid " 1SG" and resid 50   and name HB2 ))
   (( segid " 1SG" and resid 52   and name HD2 ))
 ASSI { 2078}
   (  segid " 1SG" and resid 69   and name HG1%)
   (( segid " 1SG" and resid 27   and name HA  ))
      3.200     1.300     1.300 peak  2078 spectrum    1 weight  0.10000E+01 volume  0.13901E-02 ppm1      0.856 ppm2      5.839 CV     1
 ASSI { 2079}
   (  segid " 1SG" and resid 77   and name HG2%)
   (( segid " 1SG" and resid 21   and name HB2 ))
      3.100     1.200     1.200 peak  2079 spectrum    1 weight  0.10000E+01 volume  0.13891E-02 ppm1      1.049 ppm2      3.757 CV     1
 ASSI { 2082}
   (( segid " 1SG" and resid 21   and name HA  ))
   (( segid " 1SG" and resid 20   and name HN  ))
      3.100     3.100     2.900 peak  2082 spectrum    1 weight  0.10000E+01 volume  0.13876E-02 ppm1      5.517 ppm2      8.843 CV     1
 ASSI { 2087}
   (( segid " 1SG" and resid 58   and name HG2 ))
   (( segid " 1SG" and resid 75   and name HB2 ))
      3.200     1.300     1.300 peak  2087 spectrum    1 weight  0.10000E+01 volume  0.13814E-02 ppm1      1.816 ppm2      2.887 CV     1
 OR { 2087}
   (( segid " 1SG" and resid 58   and name HG2 ))
   (( segid " 1SG" and resid 75   and name HB1 ))
 ASSI { 2091}
   (( segid " 1SG" and resid 38   and name HA  ))
   (( segid " 1SG" and resid 38   and name HB  ))
      2.900     1.100     1.100 peak  2091 spectrum    1 weight  0.10000E+01 volume  0.13792E-02 ppm1      3.896 ppm2      1.900 CV     1
 ASSI { 2110}
   (( segid " 1SG" and resid 37   and name HD2 ))
   (( segid " 1SG" and resid 37   and name HG2 ))
      2.700     0.900     0.900 peak  2110 spectrum    1 weight  0.10000E+01 volume  0.13655E-02 ppm1      2.368 ppm2      1.373 CV     1
 OR { 2110}
   (( segid " 1SG" and resid 37   and name HD2 ))
   (( segid " 1SG" and resid 37   and name HB2 ))
 ASSI { 2121}
   (( segid " 1SG" and resid 76   and name HA  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      3.100     1.200     1.200 peak  2121 spectrum    1 weight  0.10000E+01 volume  0.13579E-02 ppm1      5.017 ppm2      1.434 CV     1
 ASSI { 2125}
   (( segid " 1SG" and resid 73   and name HB2 ))
   (  segid " 1SG" and resid 23   and name HG2%)
      3.200     1.300     1.300 peak  2125 spectrum    1 weight  0.10000E+01 volume  0.13544E-02 ppm1      1.540 ppm2      0.786 CV     1
 ASSI { 2146}
   (( segid " 1SG" and resid 65   and name HD1 ))
   (  segid " 1SG" and resid 31   and name HB% )
      3.300     3.300     2.700 peak  2146 spectrum    1 weight  0.10000E+01 volume  0.13400E-02 ppm1      3.242 ppm2      1.551 CV     1
 OR { 2146}
   (( segid " 1SG" and resid 65   and name HD2 ))
   (  segid " 1SG" and resid 31   and name HB% )
 ASSI { 2158}
   (( segid " 1SG" and resid 22   and name HA  ))
   (( segid " 1SG" and resid 22   and name HG12))
      3.500     1.500     1.500 peak  2158 spectrum    1 weight  0.10000E+01 volume  0.13342E-02 ppm1      4.352 ppm2      0.101 CV     1
 ASSI { 2171}
   (( segid " 1SG" and resid 83   and name HA  ))
   (  segid " 1SG" and resid 83   and name HD% )
      2.700     0.900     0.900 peak  2171 spectrum    1 weight  0.10000E+01 volume  0.13253E-02 ppm1      4.623 ppm2      7.128 CV     1
 ASSI { 2173}
   (( segid " 1SG" and resid 48   and name HA  ))
   (( segid " 1SG" and resid 42   and name HA  ))
      2.900     1.000     1.000 peak  2173 spectrum    1 weight  0.10000E+01 volume  0.13224E-02 ppm1      4.223 ppm2      5.804 CV     1
 ASSI { 2179}
   (( segid " 1SG" and resid 102  and name HB2 ))
   (( segid " 1SG" and resid 100  and name HB2 ))
      3.700     3.700     2.300 peak  2179 spectrum    1 weight  0.10000E+01 volume  0.13196E-02 ppm1      2.746 ppm2      2.972 CV     1
 ASSI { 2183}
   (( segid " 1SG" and resid 77   and name HA  ))
   (( segid " 1SG" and resid 21   and name HB2 ))
      3.300     1.400     1.400 peak  2183 spectrum    1 weight  0.10000E+01 volume  0.13166E-02 ppm1      4.660 ppm2      3.760 CV     1
 ASSI { 2186}
   (( segid " 1SG" and resid 80   and name HG1 ))
   (( segid " 1SG" and resid 106  and name HB  ))
      3.400     3.400     2.600 peak  2186 spectrum    1 weight  0.10000E+01 volume  0.13149E-02 ppm1      2.159 ppm2      1.868 CV     1
 OR { 2186}
   (( segid " 1SG" and resid 80   and name HG2 ))
   (( segid " 1SG" and resid 106  and name HB  ))
 ASSI { 2192}
   (  segid " 1SG" and resid 76   and name HG2%)
   (  segid " 1SG" and resid 83   and name HD% )
      3.000     1.100     1.100 peak  2192 spectrum    1 weight  0.10000E+01 volume  0.13089E-02 ppm1      0.821 ppm2      7.134 CV     1
 ASSI { 2197}
   (( segid " 1SG" and resid 27   and name HD2 ))
   (( segid " 1SG" and resid 9    and name HB2 ))
      2.800     1.000     1.000 peak  2197 spectrum    1 weight  0.10000E+01 volume  0.13060E-02 ppm1      3.125 ppm2      1.911 CV     1
 OR { 2197}
   (( segid " 1SG" and resid 27   and name HD1 ))
   (( segid " 1SG" and resid 9    and name HB2 ))
 ASSI { 2202}
   (  segid " 1SG" and resid 39   and name HG1%)
   (  segid " 1SG" and resid 91   and name HG2%)
      3.600     1.600     1.600 peak  2202 spectrum    1 weight  0.10000E+01 volume  0.13036E-02 ppm1     -0.058 ppm2      0.160 CV     1
 ASSI { 2207}
   (( segid " 1SG" and resid 65   and name HA  ))
   (( segid " 1SG" and resid 68   and name HA  ))
      2.900     1.000     1.000 peak  2207 spectrum    1 weight  0.10000E+01 volume  0.12988E-02 ppm1      3.454 ppm2      3.592 CV     1
 ASSI { 2222}
   (( segid " 1SG" and resid 48   and name HA  ))
   (( segid " 1SG" and resid 48   and name HB2 ))
      3.000     1.100     1.100 peak  2222 spectrum    1 weight  0.10000E+01 volume  0.12862E-02 ppm1      4.212 ppm2      2.933 CV     1
 ASSI { 2227}
   (( segid " 1SG" and resid 104  and name HA  ))
   (( segid " 1SG" and resid 104  and name HG  ))
      3.000     1.100     1.100 peak  2227 spectrum    1 weight  0.10000E+01 volume  0.12822E-02 ppm1      5.435 ppm2      1.354 CV     1
 ASSI { 2232}
   (  segid " 1SG" and resid 22   and name HD1%)
   (( segid " 1SG" and resid 22   and name HA  ))
      3.000     1.100     1.100 peak  2232 spectrum    1 weight  0.10000E+01 volume  0.12782E-02 ppm1      0.551 ppm2      4.359 CV     1
 OR { 2232}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 22   and name HA  ))
 ASSI { 2236}
   (  segid " 1SG" and resid 16   and name HG1%)
   (( segid " 1SG" and resid 22   and name HG12))
      3.600     1.600     1.600 peak  2236 spectrum    1 weight  0.10000E+01 volume  0.12756E-02 ppm1      0.978 ppm2      0.115 CV     1
 ASSI { 2241}
   (( segid " 1SG" and resid 27   and name HD2 ))
   (( segid " 1SG" and resid 9    and name HG2 ))
      3.200     1.300     1.300 peak  2241 spectrum    1 weight  0.10000E+01 volume  0.12739E-02 ppm1      3.123 ppm2      2.513 CV     1
 OR { 2241}
   (( segid " 1SG" and resid 27   and name HD1 ))
   (( segid " 1SG" and resid 9    and name HG2 ))
 ASSI { 2243}
   (( segid " 1SG" and resid 28   and name HB  ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      2.700     0.900     0.900 peak  2243 spectrum    1 weight  0.10000E+01 volume  0.12728E-02 ppm1      1.975 ppm2      2.823 CV     1
 ASSI { 2255}
   (  segid " 1SG" and resid 77   and name HG2%)
   (( segid " 1SG" and resid 75   and name HB1 ))
      2.800     1.000     1.000 peak  2255 spectrum    1 weight  0.10000E+01 volume  0.12672E-02 ppm1      1.046 ppm2      2.909 CV     1
 ASSI { 2258}
   (( segid " 1SG" and resid 6    and name HB2 ))
   (  segid " 1SG" and resid 6    and name HD1%)
      2.800     1.000     1.000 peak  2258 spectrum    1 weight  0.10000E+01 volume  0.12658E-02 ppm1      0.963 ppm2      0.668 CV     1
 ASSI { 2267}
   (( segid " 1SG" and resid 49   and name HA  ))
   (( segid " 1SG" and resid 52   and name HG2 ))
      2.800     1.000     1.000 peak  2267 spectrum    1 weight  0.10000E+01 volume  0.12606E-02 ppm1      3.862 ppm2      1.350 CV     1
 OR { 2267}
   (( segid " 1SG" and resid 49   and name HA  ))
   (( segid " 1SG" and resid 52   and name HG1 ))
 ASSI { 2271}
   (( segid " 1SG" and resid 76   and name HB  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      3.600     1.600     1.600 peak  2271 spectrum    1 weight  0.10000E+01 volume  0.12574E-02 ppm1      1.936 ppm2      1.428 CV     1
 ASSI { 2279}
   (( segid " 1SG" and resid 88   and name HA  ))
   (( segid " 1SG" and resid 99   and name HB2 ))
      3.300     3.300     2.700 peak  2279 spectrum    1 weight  0.10000E+01 volume  0.12502E-02 ppm1      5.350 ppm2      2.743 CV     1
 ASSI { 2289}
   (  segid " 1SG" and resid 28   and name HG2%)
   (( segid " 1SG" and resid 37   and name HB2 ))
      3.500     1.500     1.500 peak  2289 spectrum    1 weight  0.10000E+01 volume  0.12435E-02 ppm1      0.647 ppm2      1.378 CV     1
 OR { 2289}
   (  segid " 1SG" and resid 28   and name HG2%)
   (( segid " 1SG" and resid 37   and name HG2 ))
 ASSI { 2293}
   (( segid " 1SG" and resid 31   and name HA  ))
   (( segid " 1SG" and resid 68   and name HG2 ))
      3.200     1.300     1.300 peak  2293 spectrum    1 weight  0.10000E+01 volume  0.12411E-02 ppm1      4.171 ppm2      1.264 CV     1
 OR { 2293}
   (( segid " 1SG" and resid 31   and name HA  ))
   (( segid " 1SG" and resid 68   and name HG1 ))
 ASSI { 2296}
   (  segid " 1SG" and resid 59   and name HD2%)
   (( segid " 1SG" and resid 41   and name HD1 ))
      3.000     1.200     1.200 peak  2296 spectrum    1 weight  0.10000E+01 volume  0.12383E-02 ppm1      0.713 ppm2      7.136 CV     1
 ASSI { 2301}
   (( segid " 1SG" and resid 91   and name HB  ))
   (  segid " 1SG" and resid 39   and name HG2%)
      2.700     0.900     0.900 peak  2301 spectrum    1 weight  0.10000E+01 volume  0.12352E-02 ppm1      1.137 ppm2     -0.446 CV     1
 ASSI { 2310}
   (( segid " 1SG" and resid 70   and name HA  ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      3.200     1.300     1.300 peak  2310 spectrum    1 weight  0.10000E+01 volume  0.12288E-02 ppm1      4.744 ppm2      2.830 CV     1
 ASSI { 2317}
   (( segid " 1SG" and resid 93   and name HB  ))
   (  segid " 1SG" and resid 33   and name HD1%)
      3.100     1.200     1.200 peak  2317 spectrum    1 weight  0.10000E+01 volume  0.12257E-02 ppm1      4.559 ppm2      0.871 CV     1
 OR { 2317}
   (( segid " 1SG" and resid 93   and name HB  ))
   (  segid " 1SG" and resid 33   and name HD2%)
 ASSI { 2322}
   (( segid " 1SG" and resid 52   and name HD2 ))
   (  segid " 1SG" and resid 47   and name HG2%)
      3.400     1.500     1.500 peak  2322 spectrum    1 weight  0.10000E+01 volume  0.12232E-02 ppm1      1.614 ppm2      0.759 CV     1
 OR { 2322}
   (( segid " 1SG" and resid 52   and name HD1 ))
   (  segid " 1SG" and resid 47   and name HG2%)
 ASSI { 2331}
   (  segid " 1SG" and resid 106  and name HG1%)
   (( segid " 1SG" and resid 81   and name HA  ))
      2.700     0.900     0.900 peak  2331 spectrum    1 weight  0.10000E+01 volume  0.12190E-02 ppm1      0.693 ppm2      4.008 CV     1
 ASSI { 2335}
   (( segid " 1SG" and resid 39   and name HA  ))
   (( segid " 1SG" and resid 39   and name HB  ))
      2.900     1.100     1.100 peak  2335 spectrum    1 weight  0.10000E+01 volume  0.12143E-02 ppm1      4.804 ppm2      0.587 CV     1
 ASSI { 2340}
   (( segid " 1SG" and resid 98   and name HA  ))
   (( segid " 1SG" and resid 98   and name HB2 ))
      3.100     1.200     1.200 peak  2340 spectrum    1 weight  0.10000E+01 volume  0.12121E-02 ppm1      4.694 ppm2      2.296 CV     1
 ASSI { 2346}
   (( segid " 1SG" and resid 6    and name HB2 ))
   (  segid " 1SG" and resid 6    and name HD2%)
      2.900     1.000     1.000 peak  2346 spectrum    1 weight  0.10000E+01 volume  0.12080E-02 ppm1      0.963 ppm2      0.486 CV     1
 ASSI { 2362}
   (( segid " 1SG" and resid 7    and name HA  ))
   (( segid " 1SG" and resid 7    and name HB2 ))
      3.000     1.100     1.100 peak  2362 spectrum    1 weight  0.10000E+01 volume  0.12011E-02 ppm1      4.637 ppm2      2.585 CV     1
 ASSI { 2363}
   (( segid " 1SG" and resid 36   and name HA  ))
   (( segid " 1SG" and resid 36   and name HG2 ))
      3.700     1.700     1.700 peak  2363 spectrum    1 weight  0.10000E+01 volume  0.12003E-02 ppm1      4.009 ppm2      1.986 CV     1
 ASSI { 2364}
   (( segid " 1SG" and resid 81   and name HD2 ))
   (( segid " 1SG" and resid 80   and name HB1 ))
      3.300     1.400     1.400 peak  2364 spectrum    1 weight  0.10000E+01 volume  0.12001E-02 ppm1      3.586 ppm2      1.952 CV     1
 OR { 2364}
   (( segid " 1SG" and resid 81   and name HD2 ))
   (( segid " 1SG" and resid 80   and name HB2 ))
 ASSI { 2366}
   (  segid " 1SG" and resid 59   and name HD1%)
   (( segid " 1SG" and resid 59   and name HA  ))
      3.700     1.700     1.700 peak  2366 spectrum    1 weight  0.10000E+01 volume  0.11990E-02 ppm1      0.860 ppm2      5.189 CV     1
 ASSI { 2373}
   (( segid " 1SG" and resid 98   and name HB2 ))
   (( segid " 1SG" and resid 6    and name HB2 ))
      3.200     1.300     1.300 peak  2373 spectrum    1 weight  0.10000E+01 volume  0.11906E-02 ppm1      2.279 ppm2      0.921 CV     1
 ASSI { 2378}
   (( segid " 1SG" and resid 104  and name HA  ))
   (( segid " 1SG" and resid 104  and name HB2 ))
      2.700     0.900     0.900 peak  2378 spectrum    1 weight  0.10000E+01 volume  0.11880E-02 ppm1      5.436 ppm2      1.226 CV     1
 ASSI { 2382}
   (  segid " 1SG" and resid 76   and name HD1%)
   (( segid " 1SG" and resid 76   and name HA  ))
      3.600     1.600     1.600 peak  2382 spectrum    1 weight  0.10000E+01 volume  0.11851E-02 ppm1      0.679 ppm2      5.010 CV     1
 ASSI { 2392}
   (( segid " 1SG" and resid 43   and name HA  ))
   (( segid " 1SG" and resid 43   and name HB2 ))
      2.700     0.900     0.900 peak  2392 spectrum    1 weight  0.10000E+01 volume  0.11797E-02 ppm1      4.138 ppm2      1.232 CV     1
 ASSI { 2397}
   (( segid " 1SG" and resid 6    and name HA  ))
   (  segid " 1SG" and resid 29   and name HB% )
      2.800     1.000     1.000 peak  2397 spectrum    1 weight  0.10000E+01 volume  0.11781E-02 ppm1      4.459 ppm2      1.524 CV     1
 ASSI { 2402}
   (( segid " 1SG" and resid 101  and name HA  ))
   (( segid " 1SG" and resid 101  and name HB2 ))
      3.100     1.200     1.200 peak  2402 spectrum    1 weight  0.10000E+01 volume  0.11729E-02 ppm1      5.518 ppm2      2.697 CV     1
 ASSI { 2404}
   (  segid " 1SG" and resid 106  and name HG1%)
   (( segid " 1SG" and resid 83   and name HB2 ))
      2.900     1.100     1.100 peak  2404 spectrum    1 weight  0.10000E+01 volume  0.11722E-02 ppm1      0.689 ppm2      3.185 CV     1
 ASSI { 2405}
   (  segid " 1SG" and resid 26   and name HB% )
   (( segid " 1SG" and resid 72   and name HB2 ))
      3.100     1.200     1.200 peak  2405 spectrum    1 weight  0.10000E+01 volume  0.11716E-02 ppm1      1.468 ppm2      2.900 CV     1
 ASSI { 2415}
   (( segid " 1SG" and resid 43   and name HB2 ))
   (( segid " 1SG" and resid 43   and name HD1 ))
      2.800     1.000     1.000 peak  2415 spectrum    1 weight  0.10000E+01 volume  0.11627E-02 ppm1      1.235 ppm2      1.303 CV     1
 OR { 2415}
   (( segid " 1SG" and resid 43   and name HB2 ))
   (( segid " 1SG" and resid 43   and name HD2 ))
 ASSI { 2422}
   (( segid " 1SG" and resid 77   and name HB  ))
   (( segid " 1SG" and resid 20   and name HA1 ))
      3.700     3.700     2.300 peak  2422 spectrum    1 weight  0.10000E+01 volume  0.11594E-02 ppm1      4.020 ppm2      3.721 CV     1
 ASSI { 2432}
   (( segid " 1SG" and resid 9    and name HB2 ))
   (( segid " 1SG" and resid 27   and name HB2 ))
      3.200     1.300     1.300 peak  2432 spectrum    1 weight  0.10000E+01 volume  0.11526E-02 ppm1      1.915 ppm2      1.587 CV     1
 OR { 2432}
   (( segid " 1SG" and resid 9    and name HB2 ))
   (( segid " 1SG" and resid 27   and name HB1 ))
 ASSI { 2438}
   (( segid " 1SG" and resid 41   and name HB2 ))
   (  segid " 1SG" and resid 49   and name HD2%)
      3.200     1.300     1.300 peak  2438 spectrum    1 weight  0.10000E+01 volume  0.11483E-02 ppm1      3.149 ppm2      1.032 CV     1
 ASSI { 2472}
   (( segid " 1SG" and resid 41   and name HA  ))
   (( segid " 1SG" and resid 41   and name HB2 ))
      3.100     1.200     1.200 peak  2472 spectrum    1 weight  0.10000E+01 volume  0.11242E-02 ppm1      5.478 ppm2      3.157 CV     1
 ASSI { 2478}
   (  segid " 1SG" and resid 49   and name HD2%)
   (( segid " 1SG" and resid 53   and name HN  ))
      3.500     1.600     1.600 peak  2478 spectrum    1 weight  0.10000E+01 volume  0.11167E-02 ppm1      1.042 ppm2      6.757 CV     1
 ASSI { 2484}
   (( segid " 1SG" and resid 103  and name HA  ))
   (( segid " 1SG" and resid 86   and name HA1 ))
      3.900     1.900     1.900 peak  2484 spectrum    1 weight  0.10000E+01 volume  0.11148E-02 ppm1      5.555 ppm2      3.498 CV     1
 ASSI { 2491}
   (( segid " 1SG" and resid 76   and name HA  ))
   (( segid " 1SG" and resid 76   and name HG12))
      2.800     1.000     1.000 peak  2491 spectrum    1 weight  0.10000E+01 volume  0.11108E-02 ppm1      5.014 ppm2      1.107 CV     1
 ASSI { 2498}
   (( segid " 1SG" and resid 69   and name HA  ))
   (( segid " 1SG" and resid 69   and name HB  ))
      3.000     1.100     1.100 peak  2498 spectrum    1 weight  0.10000E+01 volume  0.11039E-02 ppm1      4.599 ppm2      1.771 CV     1
 ASSI { 2500}
   (( segid " 1SG" and resid 3    and name HD1 ))
   (( segid " 1SG" and resid 3    and name HB1 ))
      3.500     1.500     1.500 peak  2500 spectrum    1 weight  0.10000E+01 volume  0.11008E-02 ppm1      3.865 ppm2      2.293 CV     1
 OR { 2500}
   (( segid " 1SG" and resid 3    and name HD2 ))
   (( segid " 1SG" and resid 3    and name HB2 ))
 OR { 2500}
   (( segid " 1SG" and resid 3    and name HD2 ))
   (( segid " 1SG" and resid 3    and name HB1 ))
 OR { 2500}
   (( segid " 1SG" and resid 3    and name HD1 ))
   (( segid " 1SG" and resid 3    and name HB2 ))
 ASSI { 2501}
   (( segid " 1SG" and resid 42   and name HA  ))
   (  segid " 1SG" and resid 49   and name HD1%)
      2.900     1.100     1.100 peak  2501 spectrum    1 weight  0.10000E+01 volume  0.11007E-02 ppm1      5.813 ppm2      1.783 CV     1
 ASSI { 2511}
   (( segid " 1SG" and resid 16   and name HB  ))
   (( segid " 1SG" and resid 22   and name HB  ))
      3.700     1.700     1.700 peak  2511 spectrum    1 weight  0.10000E+01 volume  0.10885E-02 ppm1      1.814 ppm2      1.533 CV     1
 ASSI { 2523}
   (  segid " 1SG" and resid 53   and name HG2%)
   (( segid " 1SG" and resid 43   and name HB2 ))
      3.900     1.900     1.900 peak  2523 spectrum    1 weight  0.10000E+01 volume  0.10836E-02 ppm1      1.111 ppm2      1.209 CV     1
 OR { 2523}
   (  segid " 1SG" and resid 53   and name HG1%)
   (( segid " 1SG" and resid 43   and name HB2 ))
 ASSI { 2528}
   (( segid " 1SG" and resid 6    and name HA  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.700     1.700     1.700 peak  2528 spectrum    1 weight  0.10000E+01 volume  0.10804E-02 ppm1      4.452 ppm2      0.493 CV     1
 ASSI { 2536}
   (( segid " 1SG" and resid 59   and name HG  ))
   (  segid " 1SG" and resid 74   and name HD1%)
      2.800     0.900     0.900 peak  2536 spectrum    1 weight  0.10000E+01 volume  0.10738E-02 ppm1      1.444 ppm2      0.414 CV     1
 OR { 2536}
   (( segid " 1SG" and resid 59   and name HG  ))
   (  segid " 1SG" and resid 74   and name HD2%)
 ASSI { 2549}
   (  segid " 1SG" and resid 39   and name HG2%)
   (( segid " 1SG" and resid 37   and name HB2 ))
      2.800     1.000     1.000 peak  2549 spectrum    1 weight  0.10000E+01 volume  0.10660E-02 ppm1     -0.453 ppm2      1.391 CV     1
 ASSI { 2550}
   (( segid " 1SG" and resid 85   and name HA2 ))
   (( segid " 1SG" and resid 44   and name HA2 ))
      3.200     1.300     1.300 peak  2550 spectrum    1 weight  0.10000E+01 volume  0.10659E-02 ppm1      4.537 ppm2      3.813 CV     1
 ASSI { 2580}
   (  segid " 1SG" and resid 59   and name HD1%)
   (( segid " 1SG" and resid 41   and name HD1 ))
      2.900     1.100     1.100 peak  2580 spectrum    1 weight  0.10000E+01 volume  0.10419E-02 ppm1      0.866 ppm2      7.141 CV     1
 ASSI { 2591}
   (( segid " 1SG" and resid 43   and name HA  ))
   (( segid " 1SG" and resid 43   and name HG2 ))
      3.300     1.400     1.400 peak  2591 spectrum    1 weight  0.10000E+01 volume  0.10336E-02 ppm1      4.134 ppm2      0.081 CV     1
 ASSI { 2595}
   (( segid " 1SG" and resid 108  and name HA  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      4.000     2.000     2.000 peak  2595 spectrum    1 weight  0.10000E+01 volume  0.10319E-02 ppm1      4.150 ppm2      0.398 CV     1
 ASSI { 2607}
   (  segid " 1SG" and resid 104  and name HD2%)
   (( segid " 1SG" and resid 104  and name HA  ))
      3.900     1.900     1.900 peak  2607 spectrum    1 weight  0.10000E+01 volume  0.10218E-02 ppm1      0.833 ppm2      5.446 CV     1
 ASSI {   29}
   (  segid " 1SG" and resid 97   and name HD% )
   (  segid " 1SG" and resid 97   and name HE% )
      2.100     0.600     0.600 peak    29 spectrum    1 weight  0.10000E+01 volume  0.78714E-02 ppm1      7.085 ppm2      7.264 CV     1
 ASSI {   35}
   (  segid " 1SG" and resid 42   and name HE% )
   (( segid " 1SG" and resid 42   and name HZ  ))
      2.200     0.600     0.600 peak    35 spectrum    1 weight  0.10000E+01 volume  0.67816E-02 ppm1      7.079 ppm2      7.178 CV     1
 ASSI {   46}
   (  segid " 1SG" and resid 70   and name HD% )
   (( segid " 1SG" and resid 70   and name HB2 ))
      2.100     0.500     0.500 peak    46 spectrum    1 weight  0.10000E+01 volume  0.71529E-02 ppm1      7.029 ppm2      2.797 CV     1
 ASSI {   51}
   (  segid " 1SG" and resid 87   and name HD% )
   (  segid " 1SG" and resid 76   and name HD1%)
      2.200     2.200     3.800 peak    51 spectrum    1 weight  0.10000E+01 volume  0.71529E-02 ppm1      6.766 ppm2      0.633 CV     1
 ASSI {   53}
   (  segid " 1SG" and resid 42   and name HD% )
   (  segid " 1SG" and resid 42   and name HE% )
      2.400     0.700     0.700 peak    53 spectrum    1 weight  0.10000E+01 volume  0.35131E-02 ppm1      6.664 ppm2      7.098 CV     1
 ASSI {   63}
   (  segid " 1SG" and resid 87   and name HE% )
   (( segid " 1SG" and resid 57   and name HG  ))
      2.100     2.100     3.900 peak    63 spectrum    1 weight  0.10000E+01 volume  0.71529E-02 ppm1      6.553 ppm2      0.751 CV     1
 ASSI {   66}
   (  segid " 1SG" and resid 83   and name HE% )
   (( segid " 1SG" and resid 46   and name HZ2 ))
      2.100     2.100     3.900 peak    66 spectrum    1 weight  0.10000E+01 volume  0.25873E-02 ppm1      7.259 ppm2      7.400 CV     1
 ASSI {   77}
   (  segid " 1SG" and resid 63   and name HE% )
   (  segid " 1SG" and resid 63   and name HD% )
      2.600     0.900     0.900 peak    77 spectrum    1 weight  0.10000E+01 volume  0.19944E-02 ppm1      6.071 ppm2      5.874 CV     1
 ASSI {   87}
   (( segid " 1SG" and resid 46   and name HH2 ))
   (( segid " 1SG" and resid 46   and name HZ2 ))
      2.800     1.000     1.000 peak    87 spectrum    1 weight  0.10000E+01 volume  0.16849E-02 ppm1      7.111 ppm2      7.374 CV     1
 ASSI {   97}
   (  segid " 1SG" and resid 70   and name HE% )
   (  segid " 1SG" and resid 70   and name HD% )
      2.800     1.000     1.000 peak    97 spectrum    1 weight  0.10000E+01 volume  0.14259E-02 ppm1      6.595 ppm2      7.034 CV     1
 ASSI {  100}
   (( segid " 1SG" and resid 46   and name HD1 ))
   (( segid " 1SG" and resid 45   and name HA  ))
      2.400     2.400     3.600 peak   100 spectrum    1 weight  0.10000E+01 volume  0.71529E-02 ppm1      7.109 ppm2      3.482 CV     1
 ASSI {  104}
   (( segid " 1SG" and resid 46   and name HD1 ))
   (( segid " 1SG" and resid 46   and name HB2 ))
      2.600     0.800     0.800 peak   104 spectrum    1 weight  0.10000E+01 volume  0.71529E-02 ppm1      7.109 ppm2      3.051 CV     1
 ASSI {  109}
   (  segid " 1SG" and resid 87   and name HD% )
   (  segid " 1SG" and resid 87   and name HE% )
      2.700     0.900     0.900 peak   109 spectrum    1 weight  0.10000E+01 volume  0.12758E-02 ppm1      6.767 ppm2      6.573 CV     1
 ASSI {  120}
   (  segid " 1SG" and resid 102  and name HD% )
   (  segid " 1SG" and resid 102  and name HE% )
      2.100     0.500     0.500 peak   120 spectrum    1 weight  0.10000E+01 volume  0.71529E-02 ppm1      6.778 ppm2      7.092 CV     1
 ASSI {  125}
   (( segid " 1SG" and resid 56   and name HE1 ))
   (( segid " 1SG" and resid 57   and name HG  ))
      3.200     1.300     1.300 peak   125 spectrum    1 weight  0.10000E+01 volume  0.10808E-02 ppm1      7.630 ppm2      0.738 CV     1
 ASSI {  168}
   (  segid " 1SG" and resid 83   and name HD% )
   (( segid " 1SG" and resid 80   and name HN  ))
      2.000     0.500     0.500 peak   168 spectrum    1 weight  0.10000E+01 volume  0.71529E-02 ppm1      7.090 ppm2      5.565 CV     1
 ASSI {  180}
   (( segid " 1SG" and resid 75   and name HE1 ))
   (( segid " 1SG" and resid 75   and name HB2 ))
      2.200     2.200     3.800 peak   180 spectrum    1 weight  0.10000E+01 volume  0.70291E-02 ppm1      8.255 ppm2      2.876 CV     1
 OR {  180}
   (( segid " 1SG" and resid 75   and name HE1 ))
   (( segid " 1SG" and resid 75   and name HB1 ))
 ASSI {  187}
   (  segid " 1SG" and resid 24   and name HD% )
   (  segid " 1SG" and resid 24   and name HE% )
      2.100     0.500     0.500 peak   187 spectrum    1 weight  0.10000E+01 volume  0.70291E-02 ppm1      6.951 ppm2      7.189 CV     1
 ASSI {  189}
   (  segid " 1SG" and resid 83   and name HE% )
   (( segid " 1SG" and resid 57   and name HG  ))
      2.300     2.300     3.700 peak   189 spectrum    1 weight  0.10000E+01 volume  0.70291E-02 ppm1      7.258 ppm2      0.724 CV     1
 ASSI {  190}
   (  segid " 1SG" and resid 83   and name HD% )
   (  segid " 1SG" and resid 83   and name HE% )
      2.100     0.500     0.500 peak   190 spectrum    1 weight  0.10000E+01 volume  0.70580E-02 ppm1      7.090 ppm2      7.269 CV     1
 ASSI {  192}
   (  segid " 1SG" and resid 63   and name HE% )
   (( segid " 1SG" and resid 65   and name HG1 ))
      2.100     0.600     0.600 peak   192 spectrum    1 weight  0.10000E+01 volume  0.70580E-02 ppm1      6.071 ppm2      1.670 CV     1
 OR {  192}
   (  segid " 1SG" and resid 63   and name HE% )
   (( segid " 1SG" and resid 65   and name HG2 ))
 ASSI {  195}
   (( segid " 1SG" and resid 41   and name HZ2 ))
   (( segid " 1SG" and resid 41   and name HH2 ))
      2.000     0.500     0.500 peak   195 spectrum    1 weight  0.10000E+01 volume  0.70580E-02 ppm1      7.080 ppm2      6.606 CV     1
 ASSI {    7}
   (( segid " 1SG" and resid 12   and name HE22))
   (( segid " 1SG" and resid 12   and name HE21))
      1.400     0.300     0.800 peak     7 spectrum    1 weight  0.10000E+01 volume  0.66629E-01 ppm1      6.922 ppm2      7.453 CV     1
 ASSI {   15}
   (( segid " 1SG" and resid 103  and name HD21))
   (( segid " 1SG" and resid 103  and name HD22))
      1.600     0.300     0.600 peak    15 spectrum    1 weight  0.10000E+01 volume  0.32646E-01 ppm1      7.722 ppm2      6.746 CV     1
 ASSI {   22}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 58   and name HE22))
      1.600     0.300     0.600 peak    22 spectrum    1 weight  0.10000E+01 volume  0.25724E-01 ppm1      7.438 ppm2      6.684 CV     1
 ASSI {   38}
   (( segid " 1SG" and resid 80   and name HE21))
   (( segid " 1SG" and resid 80   and name HE22))
      1.700     0.400     0.500 peak    38 spectrum    1 weight  0.10000E+01 volume  0.19291E-01 ppm1      6.985 ppm2      6.648 CV     1
 ASSI {   41}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 107  and name HA  ))
      2.000     0.500     0.500 peak    41 spectrum    1 weight  0.10000E+01 volume  0.18581E-01 ppm1      8.564 ppm2      4.843 CV     1
 ASSI {   51}
   (( segid " 1SG" and resid 66   and name HN  ))
   (  segid " 1SG" and resid 66   and name HB% )
      2.200     0.600     0.600 peak    51 spectrum    1 weight  0.10000E+01 volume  0.16616E-01 ppm1      8.106 ppm2      1.408 CV     1
 ASSI {   59}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 46   and name HD1 ))
      2.200     0.600     0.600 peak    59 spectrum    1 weight  0.10000E+01 volume  0.14533E-01 ppm1     10.116 ppm2      7.133 CV     1
 ASSI {   60}
   (( segid " 1SG" and resid 61   and name HN  ))
   (( segid " 1SG" and resid 60   and name HA  ))
      2.200     0.600     0.600 peak    60 spectrum    1 weight  0.10000E+01 volume  0.14274E-01 ppm1      8.180 ppm2      5.068 CV     1
 ASSI {   62}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 38   and name HA  ))
      2.000     0.500     0.500 peak    62 spectrum    1 weight  0.10000E+01 volume  0.14092E-01 ppm1      7.892 ppm2      3.893 CV     1
 ASSI {   64}
   (( segid " 1SG" and resid 17   and name HN  ))
   (( segid " 1SG" and resid 16   and name HA  ))
      2.200     0.600     0.600 peak    64 spectrum    1 weight  0.10000E+01 volume  0.13776E-01 ppm1      7.900 ppm2      4.580 CV     1
 ASSI {   67}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (( segid " 1SG" and resid 41   and name HD1 ))
      2.200     0.600     0.600 peak    67 spectrum    1 weight  0.10000E+01 volume  0.13241E-01 ppm1     10.780 ppm2      7.129 CV     1
 ASSI {   72}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 12   and name HA  ))
      2.200     0.600     0.600 peak    72 spectrum    1 weight  0.10000E+01 volume  0.12099E-01 ppm1      8.312 ppm2      4.679 CV     1
 ASSI {   80}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 95   and name HA  ))
      2.100     2.100     3.900 peak    80 spectrum    1 weight  0.10000E+01 volume  0.11375E-01 ppm1      7.969 ppm2      4.735 CV     1
 ASSI {   81}
   (( segid " 1SG" and resid 53   and name HN  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      2.000     0.500     0.500 peak    81 spectrum    1 weight  0.10000E+01 volume  0.11199E-01 ppm1      6.764 ppm2      1.067 CV     1
 ASSI {   83}
   (( segid " 1SG" and resid 84   and name HN  ))
   (( segid " 1SG" and resid 84   and name HA  ))
      2.200     0.600     0.600 peak    83 spectrum    1 weight  0.10000E+01 volume  0.10731E-01 ppm1      7.867 ppm2      4.225 CV     1
 OR {   83}
   (( segid " 1SG" and resid 84   and name HN  ))
   (( segid " 1SG" and resid 84   and name HB  ))
 ASSI {   84}
   (( segid " 1SG" and resid 21   and name HN  ))
   (( segid " 1SG" and resid 20   and name HA1 ))
      2.100     0.500     0.500 peak    84 spectrum    1 weight  0.10000E+01 volume  0.10502E-01 ppm1      8.170 ppm2      3.727 CV     1
 ASSI {   85}
   (( segid " 1SG" and resid 79   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      2.300     0.600     0.600 peak    85 spectrum    1 weight  0.10000E+01 volume  0.10460E-01 ppm1      8.974 ppm2      1.174 CV     1
 ASSI {   88}
   (( segid " 1SG" and resid 18   and name HN  ))
   (( segid " 1SG" and resid 17   and name HA  ))
      2.100     0.600     0.600 peak    88 spectrum    1 weight  0.10000E+01 volume  0.10286E-01 ppm1      8.005 ppm2      4.728 CV     1
 ASSI {   95}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 53   and name HA  ))
      2.100     0.500     0.500 peak    95 spectrum    1 weight  0.10000E+01 volume  0.95589E-02 ppm1      9.019 ppm2      4.049 CV     1
 ASSI {  102}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 93   and name HA  ))
      2.600     2.600     3.400 peak   102 spectrum    1 weight  0.10000E+01 volume  0.93404E-02 ppm1      7.511 ppm2      4.762 CV     1
 ASSI {  111}
   (( segid " 1SG" and resid 93   and name HN  ))
   (( segid " 1SG" and resid 92   and name HA  ))
      2.300     0.700     0.700 peak   111 spectrum    1 weight  0.10000E+01 volume  0.88400E-02 ppm1      8.557 ppm2      5.243 CV     1
 ASSI {  112}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 58   and name HA  ))
      2.100     0.600     0.600 peak   112 spectrum    1 weight  0.10000E+01 volume  0.87837E-02 ppm1      8.381 ppm2      4.632 CV     1
 ASSI {  114}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 64   and name HA  ))
      2.200     0.600     0.600 peak   114 spectrum    1 weight  0.10000E+01 volume  0.85574E-02 ppm1      8.306 ppm2      4.576 CV     1
 ASSI {  116}
   (( segid " 1SG" and resid 48   and name HN  ))
   (( segid " 1SG" and resid 47   and name HA  ))
      2.300     0.700     0.700 peak   116 spectrum    1 weight  0.10000E+01 volume  0.84161E-02 ppm1      8.397 ppm2      4.057 CV     1
 ASSI {  117}
   (( segid " 1SG" and resid 21   and name HN  ))
   (( segid " 1SG" and resid 20   and name HA2 ))
      3.000     1.100     1.100 peak   117 spectrum    1 weight  0.10000E+01 volume  0.84148E-02 ppm1      8.169 ppm2      4.378 CV     1
 ASSI {  120}
   (( segid " 1SG" and resid 23   and name HN  ))
   (( segid " 1SG" and resid 22   and name HA  ))
      2.100     0.600     0.600 peak   120 spectrum    1 weight  0.10000E+01 volume  0.83480E-02 ppm1      7.914 ppm2      4.342 CV     1
 ASSI {  122}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 59   and name HA  ))
      2.200     0.600     0.600 peak   122 spectrum    1 weight  0.10000E+01 volume  0.83016E-02 ppm1      8.687 ppm2      5.184 CV     1
 ASSI {  123}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 21   and name HA  ))
      2.100     0.600     0.600 peak   123 spectrum    1 weight  0.10000E+01 volume  0.82394E-02 ppm1      8.888 ppm2      5.491 CV     1
 ASSI {  125}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 57   and name HA  ))
      2.000     0.500     0.500 peak   125 spectrum    1 weight  0.10000E+01 volume  0.81871E-02 ppm1      8.940 ppm2      5.399 CV     1
 ASSI {  126}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 61   and name HA  ))
      2.100     0.500     0.500 peak   126 spectrum    1 weight  0.10000E+01 volume  0.81655E-02 ppm1      8.849 ppm2      5.560 CV     1
 ASSI {  128}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 53   and name HB  ))
      2.300     0.700     0.700 peak   128 spectrum    1 weight  0.10000E+01 volume  0.80864E-02 ppm1      6.764 ppm2      2.128 CV     1
 ASSI {  130}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 4    and name HB  ))
      2.100     0.600     0.600 peak   130 spectrum    1 weight  0.10000E+01 volume  0.79830E-02 ppm1      8.264 ppm2      2.024 CV     1
 ASSI {  133}
   (( segid " 1SG" and resid 77   and name HN  ))
   (( segid " 1SG" and resid 76   and name HA  ))
      2.100     0.600     0.600 peak   133 spectrum    1 weight  0.10000E+01 volume  0.78338E-02 ppm1      8.717 ppm2      4.983 CV     1
 ASSI {  135}
   (( segid " 1SG" and resid 85   and name HN  ))
   (( segid " 1SG" and resid 84   and name HA  ))
      2.300     0.600     0.600 peak   135 spectrum    1 weight  0.10000E+01 volume  0.77828E-02 ppm1      9.407 ppm2      4.227 CV     1
 OR {  135}
   (( segid " 1SG" and resid 85   and name HN  ))
   (( segid " 1SG" and resid 84   and name HB  ))
 ASSI {  137}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 66   and name HA  ))
      2.500     0.800     0.800 peak   137 spectrum    1 weight  0.10000E+01 volume  0.77632E-02 ppm1      8.106 ppm2      4.123 CV     1
 ASSI {  140}
   (( segid " 1SG" and resid 29   and name HN  ))
   (  segid " 1SG" and resid 29   and name HB% )
      2.400     0.700     0.700 peak   140 spectrum    1 weight  0.10000E+01 volume  0.75303E-02 ppm1      8.854 ppm2      1.508 CV     1
 ASSI {  142}
   (( segid " 1SG" and resid 47   and name HN  ))
   (  segid " 1SG" and resid 47   and name HG1%)
      2.500     0.800     0.800 peak   142 spectrum    1 weight  0.10000E+01 volume  0.75002E-02 ppm1      7.291 ppm2      0.977 CV     1
 ASSI {  145}
   (( segid " 1SG" and resid 18   and name HN  ))
   (  segid " 1SG" and resid 18   and name HG2%)
      2.200     0.600     0.600 peak   145 spectrum    1 weight  0.10000E+01 volume  0.74335E-02 ppm1      8.005 ppm2      0.939 CV     1
 ASSI {  147}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 96   and name HA  ))
      2.300     0.600     0.600 peak   147 spectrum    1 weight  0.10000E+01 volume  0.73942E-02 ppm1      8.065 ppm2      4.772 CV     1
 ASSI {  148}
   (( segid " 1SG" and resid 12   and name HE21))
   (( segid " 1SG" and resid 12   and name HG2 ))
      2.400     0.700     0.700 peak   148 spectrum    1 weight  0.10000E+01 volume  0.73668E-02 ppm1      7.451 ppm2      2.471 CV     1
 OR {  148}
   (( segid " 1SG" and resid 12   and name HE21))
   (( segid " 1SG" and resid 12   and name HG1 ))
 ASSI {  150}
   (( segid " 1SG" and resid 101  and name HD22))
   (( segid " 1SG" and resid 12   and name HE21))
      2.100     2.100     3.900 peak   150 spectrum    1 weight  0.10000E+01 volume  0.73223E-02 ppm1      6.723 ppm2      7.459 CV     1
 ASSI {  152}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 108  and name HB2 ))
      2.400     0.700     0.700 peak   152 spectrum    1 weight  0.10000E+01 volume  0.72922E-02 ppm1      8.564 ppm2      1.911 CV     1
 ASSI {  155}
   (( segid " 1SG" and resid 19   and name HN  ))
   (( segid " 1SG" and resid 18   and name HA  ))
      2.100     0.600     0.600 peak   155 spectrum    1 weight  0.10000E+01 volume  0.71378E-02 ppm1      9.827 ppm2      3.479 CV     1
 ASSI {  156}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 14   and name HA2 ))
      2.300     0.700     0.700 peak   156 spectrum    1 weight  0.10000E+01 volume  0.70953E-02 ppm1      8.504 ppm2      4.931 CV     1
 ASSI {  159}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 78   and name HA  ))
      2.400     0.700     0.700 peak   159 spectrum    1 weight  0.10000E+01 volume  0.69854E-02 ppm1      8.974 ppm2      4.103 CV     1
 ASSI {  160}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 39   and name HA  ))
      2.100     0.600     0.600 peak   160 spectrum    1 weight  0.10000E+01 volume  0.68199E-02 ppm1      8.694 ppm2      4.799 CV     1
 ASSI {  161}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 37   and name HA  ))
      2.200     0.600     0.600 peak   161 spectrum    1 weight  0.10000E+01 volume  0.67734E-02 ppm1      8.374 ppm2      4.490 CV     1
 ASSI {  164}
   (( segid " 1SG" and resid 29   and name HN  ))
   (( segid " 1SG" and resid 28   and name HA  ))
      2.200     0.600     0.600 peak   164 spectrum    1 weight  0.10000E+01 volume  0.67047E-02 ppm1      8.854 ppm2      4.898 CV     1
 ASSI {  166}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 1    and name HA  ))
      2.100     0.600     0.600 peak   166 spectrum    1 weight  0.10000E+01 volume  0.66014E-02 ppm1      8.116 ppm2      4.614 CV     1
 ASSI {  167}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 24   and name HA  ))
      2.400     0.700     0.700 peak   167 spectrum    1 weight  0.10000E+01 volume  0.65497E-02 ppm1      8.399 ppm2      4.620 CV     1
 ASSI {  169}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 40   and name HA  ))
      2.200     0.600     0.600 peak   169 spectrum    1 weight  0.10000E+01 volume  0.65274E-02 ppm1      9.308 ppm2      4.547 CV     1
 ASSI {  170}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 107  and name HB2 ))
      3.100     1.200     1.200 peak   170 spectrum    1 weight  0.10000E+01 volume  0.64831E-02 ppm1      8.564 ppm2      3.074 CV     1
 OR {  170}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 107  and name HB1 ))
 ASSI {  175}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 23   and name HA  ))
      2.300     0.700     0.700 peak   175 spectrum    1 weight  0.10000E+01 volume  0.63548E-02 ppm1      9.240 ppm2      5.100 CV     1
 ASSI {  176}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 91   and name HA  ))
      2.200     0.600     0.600 peak   176 spectrum    1 weight  0.10000E+01 volume  0.63092E-02 ppm1      8.734 ppm2      4.747 CV     1
 ASSI {  177}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 78   and name HA  ))
      2.300     0.700     0.700 peak   177 spectrum    1 weight  0.10000E+01 volume  0.62009E-02 ppm1      8.053 ppm2      4.102 CV     1
 ASSI {  179}
   (( segid " 1SG" and resid 67   and name HN  ))
   (  segid " 1SG" and resid 66   and name HB% )
      2.600     0.900     0.900 peak   179 spectrum    1 weight  0.10000E+01 volume  0.61920E-02 ppm1      7.421 ppm2      1.408 CV     1
 ASSI {  180}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 3    and name HA  ))
      2.400     0.700     0.700 peak   180 spectrum    1 weight  0.10000E+01 volume  0.61348E-02 ppm1      8.264 ppm2      4.443 CV     1
 ASSI {  181}
   (( segid " 1SG" and resid 101  and name HD21))
   (( segid " 1SG" and resid 101  and name HD22))
      2.100     0.500     0.500 peak   181 spectrum    1 weight  0.10000E+01 volume  0.61176E-02 ppm1      7.438 ppm2      6.719 CV     1
 ASSI {  184}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 108  and name HA  ))
      2.500     0.800     0.800 peak   184 spectrum    1 weight  0.10000E+01 volume  0.59885E-02 ppm1      8.564 ppm2      4.141 CV     1
 ASSI {  186}
   (( segid " 1SG" and resid 30   and name HN  ))
   (( segid " 1SG" and resid 29   and name HA  ))
      2.300     0.600     0.600 peak   186 spectrum    1 weight  0.10000E+01 volume  0.59343E-02 ppm1      8.591 ppm2      4.384 CV     1
 ASSI {  189}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 77   and name HA  ))
      2.300     0.600     0.600 peak   189 spectrum    1 weight  0.10000E+01 volume  0.58146E-02 ppm1      8.053 ppm2      4.655 CV     1
 ASSI {  191}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 20   and name HA1 ))
      2.400     0.700     0.700 peak   191 spectrum    1 weight  0.10000E+01 volume  0.57235E-02 ppm1      8.825 ppm2      3.727 CV     1
 ASSI {  192}
   (( segid " 1SG" and resid 68   and name HN  ))
   (( segid " 1SG" and resid 68   and name HA  ))
      2.300     0.600     0.600 peak   192 spectrum    1 weight  0.10000E+01 volume  0.56951E-02 ppm1      7.877 ppm2      3.593 CV     1
 ASSI {  193}
   (( segid " 1SG" and resid 17   and name HN  ))
   (( segid " 1SG" and resid 17   and name HB  ))
      2.600     0.800     0.800 peak   193 spectrum    1 weight  0.10000E+01 volume  0.56798E-02 ppm1      7.899 ppm2      4.062 CV     1
 ASSI {  194}
   (( segid " 1SG" and resid 69   and name HN  ))
   (  segid " 1SG" and resid 69   and name HG2%)
      2.600     0.900     0.900 peak   194 spectrum    1 weight  0.10000E+01 volume  0.56714E-02 ppm1      6.899 ppm2      0.850 CV     1
 OR {  194}
   (( segid " 1SG" and resid 69   and name HN  ))
   (  segid " 1SG" and resid 69   and name HG1%)
 ASSI {  197}
   (( segid " 1SG" and resid 39   and name HN  ))
   (  segid " 1SG" and resid 38   and name HG2%)
      3.500     1.500     1.500 peak   197 spectrum    1 weight  0.10000E+01 volume  0.56127E-02 ppm1      7.892 ppm2      0.789 CV     1
 ASSI {  198}
   (( segid " 1SG" and resid 63   and name HN  ))
   (( segid " 1SG" and resid 62   and name HA  ))
      2.500     0.800     0.800 peak   198 spectrum    1 weight  0.10000E+01 volume  0.55677E-02 ppm1      8.517 ppm2      4.602 CV     1
 ASSI {  199}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 13   and name HA  ))
      2.800     1.000     1.000 peak   199 spectrum    1 weight  0.10000E+01 volume  0.55484E-02 ppm1      9.183 ppm2      5.338 CV     1
 ASSI {  200}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 72   and name HA  ))
      2.300     0.600     0.600 peak   200 spectrum    1 weight  0.10000E+01 volume  0.55214E-02 ppm1      9.450 ppm2      5.366 CV     1
 ASSI {  201}
   (( segid " 1SG" and resid 12   and name HN  ))
   (( segid " 1SG" and resid 11   and name HA  ))
      2.500     0.800     0.800 peak   201 spectrum    1 weight  0.10000E+01 volume  0.55165E-02 ppm1      8.345 ppm2      4.804 CV     1
 ASSI {  202}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 46   and name HZ2 ))
      2.700     0.900     0.900 peak   202 spectrum    1 weight  0.10000E+01 volume  0.55120E-02 ppm1     10.116 ppm2      7.380 CV     1
 ASSI {  203}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 52   and name HN  ))
      2.600     0.800     0.800 peak   203 spectrum    1 weight  0.10000E+01 volume  0.54860E-02 ppm1      6.764 ppm2      7.787 CV     1
 ASSI {  204}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 20   and name HA2 ))
      2.800     1.000     1.000 peak   204 spectrum    1 weight  0.10000E+01 volume  0.54641E-02 ppm1      8.825 ppm2      4.373 CV     1
 ASSI {  206}
   (( segid " 1SG" and resid 26   and name HN  ))
   (( segid " 1SG" and resid 25   and name HA  ))
      2.300     0.700     0.700 peak   206 spectrum    1 weight  0.10000E+01 volume  0.53606E-02 ppm1      9.497 ppm2      5.685 CV     1
 ASSI {  208}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 105  and name HA  ))
      2.400     0.700     0.700 peak   208 spectrum    1 weight  0.10000E+01 volume  0.53392E-02 ppm1      8.151 ppm2      4.533 CV     1
 ASSI {  211}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 14   and name HA1 ))
      3.000     1.100     1.100 peak   211 spectrum    1 weight  0.10000E+01 volume  0.53080E-02 ppm1      8.504 ppm2      3.743 CV     1
 ASSI {  212}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HB2 ))
      2.500     0.800     0.800 peak   212 spectrum    1 weight  0.10000E+01 volume  0.53032E-02 ppm1      8.305 ppm2      1.753 CV     1
 OR {  212}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HB1 ))
 ASSI {  216}
   (( segid " 1SG" and resid 12   and name HE22))
   (( segid " 1SG" and resid 12   and name HG2 ))
      3.200     1.300     1.300 peak   216 spectrum    1 weight  0.10000E+01 volume  0.52574E-02 ppm1      6.922 ppm2      2.472 CV     1
 OR {  216}
   (( segid " 1SG" and resid 12   and name HE22))
   (( segid " 1SG" and resid 12   and name HG1 ))
 ASSI {  217}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 76   and name HG12))
      3.400     3.400     2.600 peak   217 spectrum    1 weight  0.10000E+01 volume  0.52388E-02 ppm1      9.019 ppm2      1.097 CV     1
 ASSI {  219}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 67   and name HN  ))
      2.400     0.700     0.700 peak   219 spectrum    1 weight  0.10000E+01 volume  0.52148E-02 ppm1      8.106 ppm2      7.421 CV     1
 ASSI {  220}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 2    and name HB2 ))
      2.200     0.600     0.600 peak   220 spectrum    1 weight  0.10000E+01 volume  0.51564E-02 ppm1      8.116 ppm2      2.658 CV     1
 ASSI {  221}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 39   and name HB  ))
      2.600     0.800     0.800 peak   221 spectrum    1 weight  0.10000E+01 volume  0.50723E-02 ppm1      7.890 ppm2      0.582 CV     1
 ASSI {  222}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 35   and name HA  ))
      2.500     0.800     0.800 peak   222 spectrum    1 weight  0.10000E+01 volume  0.50341E-02 ppm1      7.511 ppm2      4.664 CV     1
 ASSI {  223}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 74   and name HA  ))
      2.300     0.700     0.700 peak   223 spectrum    1 weight  0.10000E+01 volume  0.50265E-02 ppm1      9.151 ppm2      4.330 CV     1
 ASSI {  228}
   (( segid " 1SG" and resid 15   and name HN  ))
   (  segid " 1SG" and resid 22   and name HD1%)
      3.000     1.200     1.200 peak   228 spectrum    1 weight  0.10000E+01 volume  0.48856E-02 ppm1      8.505 ppm2      0.527 CV     1
 ASSI {  229}
   (( segid " 1SG" and resid 85   and name HN  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      3.100     1.200     1.200 peak   229 spectrum    1 weight  0.10000E+01 volume  0.48709E-02 ppm1      9.407 ppm2      1.494 CV     1
 ASSI {  231}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 68   and name HN  ))
      2.100     0.600     0.600 peak   231 spectrum    1 weight  0.10000E+01 volume  0.48173E-02 ppm1      7.422 ppm2      7.877 CV     1
 ASSI {  232}
   (( segid " 1SG" and resid 38   and name HN  ))
   (  segid " 1SG" and resid 38   and name HG1%)
      3.300     1.400     1.400 peak   232 spectrum    1 weight  0.10000E+01 volume  0.48120E-02 ppm1      8.373 ppm2      0.842 CV     1
 ASSI {  235}
   (( segid " 1SG" and resid 18   and name HN  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      2.600     0.800     0.800 peak   235 spectrum    1 weight  0.10000E+01 volume  0.47446E-02 ppm1      8.004 ppm2      1.281 CV     1
 ASSI {  236}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 108  and name HG1 ))
      3.500     1.600     1.600 peak   236 spectrum    1 weight  0.10000E+01 volume  0.47360E-02 ppm1      8.564 ppm2      2.233 CV     1
 OR {  236}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 108  and name HG2 ))
 ASSI {  240}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 26   and name HA  ))
      2.500     0.800     0.800 peak   240 spectrum    1 weight  0.10000E+01 volume  0.46251E-02 ppm1      8.891 ppm2      4.916 CV     1
 ASSI {  243}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 47   and name HB  ))
      2.700     0.900     0.900 peak   243 spectrum    1 weight  0.10000E+01 volume  0.45712E-02 ppm1      7.291 ppm2      2.508 CV     1
 ASSI {  244}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 13   and name HB2 ))
      2.700     0.900     0.900 peak   244 spectrum    1 weight  0.10000E+01 volume  0.45642E-02 ppm1      8.312 ppm2      2.683 CV     1
 ASSI {  245}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      2.900     1.100     1.100 peak   245 spectrum    1 weight  0.10000E+01 volume  0.45365E-02 ppm1      7.198 ppm2      1.453 CV     1
 ASSI {  246}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 103  and name HA  ))
      2.400     0.700     0.700 peak   246 spectrum    1 weight  0.10000E+01 volume  0.45357E-02 ppm1      8.793 ppm2      5.542 CV     1
 ASSI {  247}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 98   and name HA  ))
      2.700     0.900     0.900 peak   247 spectrum    1 weight  0.10000E+01 volume  0.45345E-02 ppm1      9.228 ppm2      4.702 CV     1
 ASSI {  248}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 38   and name HB  ))
      2.700     0.900     0.900 peak   248 spectrum    1 weight  0.10000E+01 volume  0.45271E-02 ppm1      8.373 ppm2      1.890 CV     1
 ASSI {  250}
   (( segid " 1SG" and resid 70   and name HN  ))
   (( segid " 1SG" and resid 69   and name HA  ))
      2.400     0.700     0.700 peak   250 spectrum    1 weight  0.10000E+01 volume  0.44447E-02 ppm1      9.273 ppm2      4.579 CV     1
 ASSI {  251}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 84   and name HN  ))
      2.500     0.800     0.800 peak   251 spectrum    1 weight  0.10000E+01 volume  0.44371E-02 ppm1      8.255 ppm2      7.866 CV     1
 ASSI {  253}
   (( segid " 1SG" and resid 10   and name HN  ))
   (( segid " 1SG" and resid 9    and name HA  ))
      2.600     0.800     0.800 peak   253 spectrum    1 weight  0.10000E+01 volume  0.43870E-02 ppm1      8.853 ppm2      4.646 CV     1
 ASSI {  256}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 102  and name HA  ))
      2.500     0.800     0.800 peak   256 spectrum    1 weight  0.10000E+01 volume  0.43553E-02 ppm1      9.243 ppm2      4.989 CV     1
 ASSI {  259}
   (( segid " 1SG" and resid 23   and name HN  ))
   (( segid " 1SG" and resid 23   and name HB  ))
      2.600     0.800     0.800 peak   259 spectrum    1 weight  0.10000E+01 volume  0.42602E-02 ppm1      7.914 ppm2      3.583 CV     1
 ASSI {  265}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 35   and name HG1 ))
      2.500     0.800     0.800 peak   265 spectrum    1 weight  0.10000E+01 volume  0.41255E-02 ppm1      7.511 ppm2      1.348 CV     1
 OR {  265}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 35   and name HG2 ))
 ASSI {  266}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 79   and name HA  ))
      2.600     0.900     0.900 peak   266 spectrum    1 weight  0.10000E+01 volume  0.40763E-02 ppm1      8.973 ppm2      3.661 CV     1
 ASSI {  267}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HG1 ))
      3.300     1.400     1.400 peak   267 spectrum    1 weight  0.10000E+01 volume  0.40627E-02 ppm1      8.306 ppm2      1.685 CV     1
 OR {  267}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HG2 ))
 ASSI {  268}
   (( segid " 1SG" and resid 72   and name HN  ))
   (( segid " 1SG" and resid 71   and name HA  ))
      2.200     0.600     0.600 peak   268 spectrum    1 weight  0.10000E+01 volume  0.40474E-02 ppm1      9.295 ppm2      5.062 CV     1
 ASSI {  269}
   (( segid " 1SG" and resid 17   and name HN  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      3.200     1.300     1.300 peak   269 spectrum    1 weight  0.10000E+01 volume  0.40408E-02 ppm1      7.900 ppm2      1.280 CV     1
 ASSI {  270}
   (( segid " 1SG" and resid 29   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG2%)
      2.600     0.900     0.900 peak   270 spectrum    1 weight  0.10000E+01 volume  0.40277E-02 ppm1      8.855 ppm2      0.945 CV     1
 OR {  270}
   (( segid " 1SG" and resid 29   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG1%)
 ASSI {  271}
   (( segid " 1SG" and resid 94   and name HN  ))
   (( segid " 1SG" and resid 93   and name HA  ))
      2.600     0.800     0.800 peak   271 spectrum    1 weight  0.10000E+01 volume  0.40229E-02 ppm1      8.339 ppm2      4.764 CV     1
 ASSI {  272}
   (( segid " 1SG" and resid 93   and name HN  ))
   (( segid " 1SG" and resid 92   and name HB1 ))
      3.400     1.400     1.400 peak   272 spectrum    1 weight  0.10000E+01 volume  0.40097E-02 ppm1      8.558 ppm2      3.937 CV     1
 OR {  272}
   (( segid " 1SG" and resid 93   and name HN  ))
   (( segid " 1SG" and resid 92   and name HB2 ))
 ASSI {  273}
   (( segid " 1SG" and resid 77   and name HN  ))
   (  segid " 1SG" and resid 76   and name HG2%)
      3.000     1.200     1.200 peak   273 spectrum    1 weight  0.10000E+01 volume  0.39250E-02 ppm1      8.717 ppm2      0.785 CV     1
 ASSI {  274}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 95   and name HN  ))
      1.800     0.400     0.400 peak   274 spectrum    1 weight  0.10000E+01 volume  0.39074E-02 ppm1      7.549 ppm2      7.973 CV     1
 ASSI {  275}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB1 ))
      2.500     0.800     0.800 peak   275 spectrum    1 weight  0.10000E+01 volume  0.38941E-02 ppm1      8.381 ppm2      1.692 CV     1
 OR {  275}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB2 ))
 ASSI {  276}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 96   and name HB2 ))
      3.400     3.400     2.600 peak   276 spectrum    1 weight  0.10000E+01 volume  0.38683E-02 ppm1      8.263 ppm2      1.571 CV     1
 ASSI {  278}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 5    and name HN  ))
      2.500     0.800     0.800 peak   278 spectrum    1 weight  0.10000E+01 volume  0.38506E-02 ppm1      8.263 ppm2      8.143 CV     1
 ASSI {  279}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 68   and name HN  ))
      2.600     0.800     0.800 peak   279 spectrum    1 weight  0.10000E+01 volume  0.38399E-02 ppm1      6.899 ppm2      7.876 CV     1
 ASSI {  281}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 104  and name HA  ))
      2.500     0.800     0.800 peak   281 spectrum    1 weight  0.10000E+01 volume  0.38304E-02 ppm1      8.399 ppm2      5.431 CV     1
 ASSI {  285}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 4    and name HA  ))
      2.700     0.900     0.900 peak   285 spectrum    1 weight  0.10000E+01 volume  0.38031E-02 ppm1      8.264 ppm2      4.015 CV     1
 ASSI {  287}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 78   and name HN  ))
      2.700     0.900     0.900 peak   287 spectrum    1 weight  0.10000E+01 volume  0.37351E-02 ppm1      8.974 ppm2      8.055 CV     1
 ASSI {  288}
   (( segid " 1SG" and resid 86   and name HN  ))
   (( segid " 1SG" and resid 85   and name HA2 ))
      2.400     0.700     0.700 peak   288 spectrum    1 weight  0.10000E+01 volume  0.37312E-02 ppm1      7.948 ppm2      4.508 CV     1
 ASSI {  290}
   (( segid " 1SG" and resid 48   and name HN  ))
   (( segid " 1SG" and resid 48   and name HB2 ))
      2.700     0.900     0.900 peak   290 spectrum    1 weight  0.10000E+01 volume  0.37007E-02 ppm1      8.397 ppm2      2.936 CV     1
 ASSI {  291}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 65   and name HB1 ))
      2.900     1.100     1.100 peak   291 spectrum    1 weight  0.10000E+01 volume  0.36981E-02 ppm1      8.106 ppm2      1.756 CV     1
 OR {  291}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 65   and name HB2 ))
 ASSI {  294}
   (( segid " 1SG" and resid 98   and name HN  ))
   (( segid " 1SG" and resid 97   and name HA  ))
      2.700     0.900     0.900 peak   294 spectrum    1 weight  0.10000E+01 volume  0.36494E-02 ppm1      8.417 ppm2      5.247 CV     1
 ASSI {  295}
   (( segid " 1SG" and resid 86   and name HN  ))
   (( segid " 1SG" and resid 85   and name HA1 ))
      3.000     1.200     1.200 peak   295 spectrum    1 weight  0.10000E+01 volume  0.36486E-02 ppm1      7.948 ppm2      3.928 CV     1
 ASSI {  297}
   (( segid " 1SG" and resid 19   and name HN  ))
   (( segid " 1SG" and resid 19   and name HA1 ))
      2.900     1.100     1.100 peak   297 spectrum    1 weight  0.10000E+01 volume  0.36064E-02 ppm1      9.829 ppm2      4.250 CV     1
 ASSI {  298}
   (( segid " 1SG" and resid 19   and name HN  ))
   (  segid " 1SG" and resid 18   and name HG1%)
      3.300     1.400     1.400 peak   298 spectrum    1 weight  0.10000E+01 volume  0.36057E-02 ppm1      9.828 ppm2      0.981 CV     1
 ASSI {  300}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 27   and name HA  ))
      2.500     0.800     0.800 peak   300 spectrum    1 weight  0.10000E+01 volume  0.35499E-02 ppm1      9.673 ppm2      5.831 CV     1
 ASSI {  302}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 53   and name HA  ))
      2.300     0.700     0.700 peak   302 spectrum    1 weight  0.10000E+01 volume  0.35471E-02 ppm1      6.765 ppm2      4.049 CV     1
 ASSI {  303}
   (( segid " 1SG" and resid 84   and name HN  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      3.500     1.500     1.500 peak   303 spectrum    1 weight  0.10000E+01 volume  0.35315E-02 ppm1      7.866 ppm2      1.494 CV     1
 ASSI {  304}
   (( segid " 1SG" and resid 30   and name HN  ))
   (  segid " 1SG" and resid 29   and name HB% )
      3.500     1.500     1.500 peak   304 spectrum    1 weight  0.10000E+01 volume  0.35267E-02 ppm1      8.591 ppm2      1.513 CV     1
 ASSI {  305}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 51   and name HN  ))
      2.400     0.700     0.700 peak   305 spectrum    1 weight  0.10000E+01 volume  0.35154E-02 ppm1      7.784 ppm2      7.881 CV     1
 ASSI {  306}
   (( segid " 1SG" and resid 24   and name HN  ))
   (  segid " 1SG" and resid 23   and name HG2%)
      2.900     1.000     1.000 peak   306 spectrum    1 weight  0.10000E+01 volume  0.35028E-02 ppm1      9.240 ppm2      0.769 CV     1
 ASSI {  307}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 34   and name HA  ))
      3.000     1.100     1.100 peak   307 spectrum    1 weight  0.10000E+01 volume  0.34941E-02 ppm1      7.511 ppm2      4.289 CV     1
 ASSI {  308}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 2    and name HA  ))
      2.700     0.900     0.900 peak   308 spectrum    1 weight  0.10000E+01 volume  0.34919E-02 ppm1      8.115 ppm2      4.899 CV     1
 ASSI {  309}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 68   and name HA  ))
      2.700     0.900     0.900 peak   309 spectrum    1 weight  0.10000E+01 volume  0.34912E-02 ppm1      6.899 ppm2      3.593 CV     1
 ASSI {  310}
   (( segid " 1SG" and resid 90   and name HN  ))
   (( segid " 1SG" and resid 89   and name HA  ))
      2.600     0.900     0.900 peak   310 spectrum    1 weight  0.10000E+01 volume  0.34838E-02 ppm1      9.489 ppm2      4.946 CV     1
 ASSI {  311}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (  segid " 1SG" and resid 39   and name HG1%)
      2.800     1.000     1.000 peak   311 spectrum    1 weight  0.10000E+01 volume  0.34835E-02 ppm1     10.780 ppm2     -0.081 CV     1
 ASSI {  312}
   (( segid " 1SG" and resid 93   and name HN  ))
   (( segid " 1SG" and resid 93   and name HA  ))
      2.700     0.900     0.900 peak   312 spectrum    1 weight  0.10000E+01 volume  0.34679E-02 ppm1      8.558 ppm2      4.778 CV     1
 ASSI {  314}
   (( segid " 1SG" and resid 72   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD1%)
      2.800     1.000     1.000 peak   314 spectrum    1 weight  0.10000E+01 volume  0.34394E-02 ppm1      9.295 ppm2      0.842 CV     1
 ASSI {  315}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 67   and name HA  ))
      2.800     1.000     1.000 peak   315 spectrum    1 weight  0.10000E+01 volume  0.33984E-02 ppm1      7.421 ppm2      4.297 CV     1
 ASSI {  316}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 83   and name HA  ))
      2.700     0.900     0.900 peak   316 spectrum    1 weight  0.10000E+01 volume  0.33894E-02 ppm1      8.255 ppm2      4.603 CV     1
 ASSI {  318}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      3.500     1.500     1.500 peak   318 spectrum    1 weight  0.10000E+01 volume  0.33672E-02 ppm1      8.940 ppm2      1.448 CV     1
 ASSI {  319}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 48   and name HA  ))
      2.500     0.800     0.800 peak   319 spectrum    1 weight  0.10000E+01 volume  0.33654E-02 ppm1      9.288 ppm2      4.192 CV     1
 ASSI {  320}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 58   and name HB2 ))
      3.400     1.400     1.400 peak   320 spectrum    1 weight  0.10000E+01 volume  0.33631E-02 ppm1      7.438 ppm2      2.396 CV     1
 OR {  320}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 58   and name HB1 ))
 ASSI {  321}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 73   and name HA  ))
      2.400     0.700     0.700 peak   321 spectrum    1 weight  0.10000E+01 volume  0.33627E-02 ppm1      8.470 ppm2      5.470 CV     1
 ASSI {  322}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 52   and name HA  ))
      2.800     1.000     1.000 peak   322 spectrum    1 weight  0.10000E+01 volume  0.33618E-02 ppm1      7.785 ppm2      4.613 CV     1
 ASSI {  323}
   (( segid " 1SG" and resid 40   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG1%)
      3.000     1.100     1.100 peak   323 spectrum    1 weight  0.10000E+01 volume  0.33198E-02 ppm1      8.694 ppm2     -0.080 CV     1
 ASSI {  324}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 43   and name HA  ))
      2.500     0.800     0.800 peak   324 spectrum    1 weight  0.10000E+01 volume  0.33181E-02 ppm1      8.211 ppm2      4.128 CV     1
 ASSI {  325}
   (( segid " 1SG" and resid 4    and name HN  ))
   (  segid " 1SG" and resid 4    and name HG2%)
      3.600     1.600     1.600 peak   325 spectrum    1 weight  0.10000E+01 volume  0.33048E-02 ppm1      8.264 ppm2      0.922 CV     1
 ASSI {  326}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 83   and name HB2 ))
      2.400     0.700     0.700 peak   326 spectrum    1 weight  0.10000E+01 volume  0.32874E-02 ppm1      8.255 ppm2      3.172 CV     1
 ASSI {  327}
   (( segid " 1SG" and resid 75   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD1%)
      3.600     1.600     1.600 peak   327 spectrum    1 weight  0.10000E+01 volume  0.32699E-02 ppm1      9.151 ppm2      0.400 CV     1
 OR {  327}
   (( segid " 1SG" and resid 75   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD2%)
 ASSI {  328}
   (( segid " 1SG" and resid 107  and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      2.900     1.000     1.000 peak   328 spectrum    1 weight  0.10000E+01 volume  0.32676E-02 ppm1      8.822 ppm2      0.372 CV     1
 ASSI {  329}
   (( segid " 1SG" and resid 64   and name HN  ))
   (( segid " 1SG" and resid 64   and name HB2 ))
      2.800     1.000     1.000 peak   329 spectrum    1 weight  0.10000E+01 volume  0.32673E-02 ppm1      7.752 ppm2      2.335 CV     1
 ASSI {  332}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 75   and name HB2 ))
      2.700     0.900     0.900 peak   332 spectrum    1 weight  0.10000E+01 volume  0.32154E-02 ppm1      9.150 ppm2      2.889 CV     1
 OR {  332}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 75   and name HB1 ))
 ASSI {  333}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 15   and name HB1 ))
      2.900     1.000     1.000 peak   333 spectrum    1 weight  0.10000E+01 volume  0.32107E-02 ppm1      8.504 ppm2      2.013 CV     1
 OR {  333}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 15   and name HB2 ))
 ASSI {  335}
   (( segid " 1SG" and resid 5    and name HN  ))
   (( segid " 1SG" and resid 5    and name HA1 ))
      2.700     0.900     0.900 peak   335 spectrum    1 weight  0.10000E+01 volume  0.31714E-02 ppm1      8.144 ppm2      3.857 CV     1
 OR {  335}
   (( segid " 1SG" and resid 5    and name HN  ))
   (( segid " 1SG" and resid 5    and name HA2 ))
 ASSI {  336}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (  segid " 1SG" and resid 59   and name HD2%)
      2.800     1.000     1.000 peak   336 spectrum    1 weight  0.10000E+01 volume  0.31653E-02 ppm1     10.780 ppm2      0.692 CV     1
 ASSI {  339}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 19   and name HN  ))
      2.600     0.800     0.800 peak   339 spectrum    1 weight  0.10000E+01 volume  0.31407E-02 ppm1      8.825 ppm2      9.828 CV     1
 ASSI {  340}
   (( segid " 1SG" and resid 80   and name HE21))
   (( segid " 1SG" and resid 80   and name HG1 ))
      2.700     0.900     0.900 peak   340 spectrum    1 weight  0.10000E+01 volume  0.31358E-02 ppm1      6.984 ppm2      2.164 CV     1
 OR {  340}
   (( segid " 1SG" and resid 80   and name HE21))
   (( segid " 1SG" and resid 80   and name HG2 ))
 ASSI {  342}
   (( segid " 1SG" and resid 18   and name HN  ))
   (( segid " 1SG" and resid 17   and name HB  ))
      3.000     1.100     1.100 peak   342 spectrum    1 weight  0.10000E+01 volume  0.31277E-02 ppm1      8.006 ppm2      4.061 CV     1
 ASSI {  344}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 107  and name HB1 ))
      2.800     1.000     1.000 peak   344 spectrum    1 weight  0.10000E+01 volume  0.31174E-02 ppm1      8.825 ppm2      3.076 CV     1
 OR {  344}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 107  and name HB2 ))
 ASSI {  346}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HA  ))
      2.700     0.900     0.900 peak   346 spectrum    1 weight  0.10000E+01 volume  0.31036E-02 ppm1      8.305 ppm2      3.450 CV     1
 ASSI {  348}
   (( segid " 1SG" and resid 21   and name HN  ))
   (( segid " 1SG" and resid 20   and name HN  ))
      3.600     1.600     1.600 peak   348 spectrum    1 weight  0.10000E+01 volume  0.30818E-02 ppm1      8.168 ppm2      8.828 CV     1
 ASSI {  350}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 42   and name HA  ))
      2.700     0.900     0.900 peak   350 spectrum    1 weight  0.10000E+01 volume  0.30661E-02 ppm1      8.632 ppm2      5.786 CV     1
 ASSI {  351}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 54   and name HN  ))
      2.600     0.900     0.900 peak   351 spectrum    1 weight  0.10000E+01 volume  0.30487E-02 ppm1      7.198 ppm2      9.022 CV     1
 ASSI {  352}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 15   and name HB2 ))
      3.400     1.400     1.400 peak   352 spectrum    1 weight  0.10000E+01 volume  0.30474E-02 ppm1      8.593 ppm2      2.019 CV     1
 OR {  352}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 15   and name HB1 ))
 ASSI {  353}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 4    and name HG12))
      3.700     1.700     1.700 peak   353 spectrum    1 weight  0.10000E+01 volume  0.30474E-02 ppm1      8.263 ppm2      1.225 CV     1
 ASSI {  354}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 16   and name HA  ))
      2.800     1.000     1.000 peak   354 spectrum    1 weight  0.10000E+01 volume  0.30444E-02 ppm1      8.593 ppm2      4.581 CV     1
 ASSI {  355}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 52   and name HA  ))
      3.100     1.200     1.200 peak   355 spectrum    1 weight  0.10000E+01 volume  0.30426E-02 ppm1      6.764 ppm2      4.611 CV     1
 ASSI {  356}
   (( segid " 1SG" and resid 48   and name HN  ))
   (  segid " 1SG" and resid 47   and name HG2%)
      3.300     1.400     1.400 peak   356 spectrum    1 weight  0.10000E+01 volume  0.30351E-02 ppm1      8.397 ppm2      0.779 CV     1
 ASSI {  357}
   (( segid " 1SG" and resid 23   and name HN  ))
   (( segid " 1SG" and resid 22   and name HG12))
      3.600     1.700     1.700 peak   357 spectrum    1 weight  0.10000E+01 volume  0.30326E-02 ppm1      7.913 ppm2      0.071 CV     1
 ASSI {  358}
   (( segid " 1SG" and resid 39   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG2%)
      2.700     0.900     0.900 peak   358 spectrum    1 weight  0.10000E+01 volume  0.30315E-02 ppm1      7.891 ppm2     -0.459 CV     1
 ASSI {  362}
   (( segid " 1SG" and resid 18   and name HN  ))
   (( segid " 1SG" and resid 18   and name HA  ))
      2.600     0.900     0.900 peak   362 spectrum    1 weight  0.10000E+01 volume  0.29925E-02 ppm1      8.005 ppm2      3.479 CV     1
 ASSI {  363}
   (( segid " 1SG" and resid 47   and name HN  ))
   (  segid " 1SG" and resid 47   and name HG2%)
      2.700     0.900     0.900 peak   363 spectrum    1 weight  0.10000E+01 volume  0.29693E-02 ppm1      7.291 ppm2      0.780 CV     1
 ASSI {  364}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 65   and name HN  ))
      2.700     0.900     0.900 peak   364 spectrum    1 weight  0.10000E+01 volume  0.29638E-02 ppm1      8.106 ppm2      8.306 CV     1
 ASSI {  367}
   (( segid " 1SG" and resid 17   and name HN  ))
   (( segid " 1SG" and resid 16   and name HB  ))
      2.900     1.100     1.100 peak   367 spectrum    1 weight  0.10000E+01 volume  0.29494E-02 ppm1      7.901 ppm2      1.791 CV     1
 ASSI {  368}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 67   and name HB1 ))
      2.800     1.000     1.000 peak   368 spectrum    1 weight  0.10000E+01 volume  0.29466E-02 ppm1      7.421 ppm2      3.728 CV     1
 OR {  368}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 67   and name HB2 ))
 ASSI {  370}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 61   and name HB2 ))
      3.300     1.400     1.400 peak   370 spectrum    1 weight  0.10000E+01 volume  0.29388E-02 ppm1      8.849 ppm2      2.303 CV     1
 ASSI {  371}
   (( segid " 1SG" and resid 92   and name HN  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      2.600     0.800     0.800 peak   371 spectrum    1 weight  0.10000E+01 volume  0.29349E-02 ppm1      8.734 ppm2      0.173 CV     1
 ASSI {  372}
   (( segid " 1SG" and resid 64   and name HN  ))
   (( segid " 1SG" and resid 64   and name HA  ))
      2.800     1.000     1.000 peak   372 spectrum    1 weight  0.10000E+01 volume  0.29315E-02 ppm1      7.752 ppm2      4.579 CV     1
 ASSI {  373}
   (( segid " 1SG" and resid 64   and name HN  ))
   (  segid " 1SG" and resid 63   and name HD% )
      3.100     1.200     1.200 peak   373 spectrum    1 weight  0.10000E+01 volume  0.29205E-02 ppm1      7.752 ppm2      5.902 CV     1
 ASSI {  374}
   (( segid " 1SG" and resid 77   and name HN  ))
   (  segid " 1SG" and resid 77   and name HG2%)
      2.800     1.000     1.000 peak   374 spectrum    1 weight  0.10000E+01 volume  0.29075E-02 ppm1      8.717 ppm2      1.030 CV     1
 ASSI {  376}
   (( segid " 1SG" and resid 42   and name HN  ))
   (( segid " 1SG" and resid 41   and name HA  ))
      2.600     0.900     0.900 peak   376 spectrum    1 weight  0.10000E+01 volume  0.28995E-02 ppm1      9.447 ppm2      5.468 CV     1
 ASSI {  378}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 12   and name HB2 ))
      3.200     1.300     1.300 peak   378 spectrum    1 weight  0.10000E+01 volume  0.28906E-02 ppm1      8.312 ppm2      1.966 CV     1
 ASSI {  379}
   (( segid " 1SG" and resid 58   and name HE22))
   (( segid " 1SG" and resid 58   and name HB2 ))
      3.800     1.800     1.800 peak   379 spectrum    1 weight  0.10000E+01 volume  0.28834E-02 ppm1      6.684 ppm2      2.396 CV     1
 OR {  379}
   (( segid " 1SG" and resid 58   and name HE22))
   (( segid " 1SG" and resid 58   and name HB1 ))
 ASSI {  382}
   (( segid " 1SG" and resid 76   and name HN  ))
   (( segid " 1SG" and resid 76   and name HB  ))
      2.600     0.800     0.800 peak   382 spectrum    1 weight  0.10000E+01 volume  0.28640E-02 ppm1      8.925 ppm2      1.902 CV     1
 ASSI {  383}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 12   and name HG1 ))
      4.000     2.000     2.000 peak   383 spectrum    1 weight  0.10000E+01 volume  0.28608E-02 ppm1      8.312 ppm2      2.471 CV     1
 OR {  383}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 12   and name HG2 ))
 ASSI {  384}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 96   and name HG1 ))
      3.200     1.300     1.300 peak   384 spectrum    1 weight  0.10000E+01 volume  0.28579E-02 ppm1      7.548 ppm2      1.318 CV     1
 OR {  384}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 96   and name HG2 ))
 ASSI {  388}
   (( segid " 1SG" and resid 106  and name HN  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      3.600     1.600     1.600 peak   388 spectrum    1 weight  0.10000E+01 volume  0.28290E-02 ppm1      8.150 ppm2      1.495 CV     1
 ASSI {  389}
   (( segid " 1SG" and resid 26   and name HN  ))
   (  segid " 1SG" and resid 26   and name HB% )
      2.800     1.000     1.000 peak   389 spectrum    1 weight  0.10000E+01 volume  0.28261E-02 ppm1      9.497 ppm2      1.455 CV     1
 ASSI {  390}
   (( segid " 1SG" and resid 20   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      3.100     1.200     1.200 peak   390 spectrum    1 weight  0.10000E+01 volume  0.28227E-02 ppm1      8.825 ppm2      1.174 CV     1
 ASSI {  391}
   (( segid " 1SG" and resid 21   and name HN  ))
   (( segid " 1SG" and resid 21   and name HA  ))
      2.600     0.800     0.800 peak   391 spectrum    1 weight  0.10000E+01 volume  0.28186E-02 ppm1      8.169 ppm2      5.493 CV     1
 ASSI {  392}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 59   and name HG  ))
      3.600     1.600     1.600 peak   392 spectrum    1 weight  0.10000E+01 volume  0.28156E-02 ppm1      8.382 ppm2      1.425 CV     1
 ASSI {  393}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 57   and name HA  ))
      2.600     0.900     0.900 peak   393 spectrum    1 weight  0.10000E+01 volume  0.28155E-02 ppm1      7.198 ppm2      5.399 CV     1
 ASSI {  395}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 107  and name HA  ))
      2.800     1.000     1.000 peak   395 spectrum    1 weight  0.10000E+01 volume  0.28064E-02 ppm1      8.825 ppm2      4.841 CV     1
 ASSI {  396}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 53   and name HB  ))
      3.600     1.600     1.600 peak   396 spectrum    1 weight  0.10000E+01 volume  0.27977E-02 ppm1      9.019 ppm2      2.127 CV     1
 ASSI {  397}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 52   and name HG2 ))
      3.500     1.500     1.500 peak   397 spectrum    1 weight  0.10000E+01 volume  0.27962E-02 ppm1      7.786 ppm2      1.324 CV     1
 OR {  397}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 52   and name HG1 ))
 ASSI {  398}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 13   and name HA  ))
      2.800     1.000     1.000 peak   398 spectrum    1 weight  0.10000E+01 volume  0.27941E-02 ppm1      8.312 ppm2      5.337 CV     1
 ASSI {  399}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 44   and name HA1 ))
      2.700     0.900     0.900 peak   399 spectrum    1 weight  0.10000E+01 volume  0.27814E-02 ppm1      8.211 ppm2      3.463 CV     1
 ASSI {  400}
   (( segid " 1SG" and resid 70   and name HN  ))
   (  segid " 1SG" and resid 70   and name HD% )
      2.800     1.000     1.000 peak   400 spectrum    1 weight  0.10000E+01 volume  0.27769E-02 ppm1      9.270 ppm2      7.060 CV     1
 ASSI {  401}
   (( segid " 1SG" and resid 12   and name HN  ))
   (( segid " 1SG" and resid 12   and name HG2 ))
      2.900     1.100     1.100 peak   401 spectrum    1 weight  0.10000E+01 volume  0.27670E-02 ppm1      8.346 ppm2      2.468 CV     1
 OR {  401}
   (( segid " 1SG" and resid 12   and name HN  ))
   (( segid " 1SG" and resid 12   and name HG1 ))
 ASSI {  402}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 8    and name HN  ))
      2.700     0.900     0.900 peak   402 spectrum    1 weight  0.10000E+01 volume  0.27548E-02 ppm1      7.888 ppm2      9.053 CV     1
 ASSI {  403}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB1 ))
      3.500     1.600     1.600 peak   403 spectrum    1 weight  0.10000E+01 volume  0.27512E-02 ppm1      8.686 ppm2      1.687 CV     1
 OR {  403}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB2 ))
 ASSI {  404}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 62   and name HA  ))
      2.800     1.000     1.000 peak   404 spectrum    1 weight  0.10000E+01 volume  0.27499E-02 ppm1      8.849 ppm2      4.602 CV     1
 ASSI {  407}
   (( segid " 1SG" and resid 60   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD2%)
      3.000     1.100     1.100 peak   407 spectrum    1 weight  0.10000E+01 volume  0.27309E-02 ppm1      8.689 ppm2      0.691 CV     1
 ASSI {  408}
   (( segid " 1SG" and resid 106  and name HN  ))
   (  segid " 1SG" and resid 106  and name HG1%)
      2.600     0.900     0.900 peak   408 spectrum    1 weight  0.10000E+01 volume  0.27168E-02 ppm1      8.151 ppm2      0.679 CV     1
 ASSI {  409}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 41   and name HD1 ))
      2.800     1.000     1.000 peak   409 spectrum    1 weight  0.10000E+01 volume  0.27043E-02 ppm1      9.308 ppm2      7.130 CV     1
 ASSI {  411}
   (( segid " 1SG" and resid 51   and name HN  ))
   (( segid " 1SG" and resid 51   and name HA  ))
      2.900     1.100     1.100 peak   411 spectrum    1 weight  0.10000E+01 volume  0.26574E-02 ppm1      7.877 ppm2      4.560 CV     1
 ASSI {  413}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 15   and name HG1 ))
      3.200     1.300     1.300 peak   413 spectrum    1 weight  0.10000E+01 volume  0.26482E-02 ppm1      8.506 ppm2      2.277 CV     1
 OR {  413}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 15   and name HG2 ))
 ASSI {  415}
   (( segid " 1SG" and resid 17   and name HN  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      3.100     1.200     1.200 peak   415 spectrum    1 weight  0.10000E+01 volume  0.26477E-02 ppm1      7.900 ppm2      0.602 CV     1
 ASSI {  416}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 15   and name HA  ))
      2.800     1.000     1.000 peak   416 spectrum    1 weight  0.10000E+01 volume  0.26405E-02 ppm1      8.504 ppm2      5.491 CV     1
 ASSI {  417}
   (( segid " 1SG" and resid 103  and name HD21))
   (( segid " 1SG" and resid 103  and name HB2 ))
      2.800     1.000     1.000 peak   417 spectrum    1 weight  0.10000E+01 volume  0.26374E-02 ppm1      7.721 ppm2      2.502 CV     1
 ASSI {  421}
   (( segid " 1SG" and resid 80   and name HE22))
   (( segid " 1SG" and resid 80   and name HG1 ))
      3.600     1.700     1.700 peak   421 spectrum    1 weight  0.10000E+01 volume  0.26263E-02 ppm1      6.645 ppm2      2.164 CV     1
 OR {  421}
   (( segid " 1SG" and resid 80   and name HE22))
   (( segid " 1SG" and resid 80   and name HG2 ))
 ASSI {  422}
   (( segid " 1SG" and resid 100  and name HN  ))
   (( segid " 1SG" and resid 99   and name HA  ))
      2.800     1.000     1.000 peak   422 spectrum    1 weight  0.10000E+01 volume  0.26142E-02 ppm1      8.896 ppm2      5.700 CV     1
 ASSI {  424}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 38   and name HA  ))
      2.800     1.000     1.000 peak   424 spectrum    1 weight  0.10000E+01 volume  0.26010E-02 ppm1      8.372 ppm2      3.897 CV     1
 ASSI {  425}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 53   and name HB  ))
      3.000     3.000     3.000 peak   425 spectrum    1 weight  0.10000E+01 volume  0.25925E-02 ppm1      7.785 ppm2      2.145 CV     1
 ASSI {  426}
   (( segid " 1SG" and resid 78   and name HN  ))
   (  segid " 1SG" and resid 77   and name HG2%)
      3.900     1.900     1.900 peak   426 spectrum    1 weight  0.10000E+01 volume  0.25921E-02 ppm1      8.054 ppm2      1.025 CV     1
 ASSI {  427}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 103  and name HB2 ))
      2.900     1.000     1.000 peak   427 spectrum    1 weight  0.10000E+01 volume  0.25907E-02 ppm1      9.242 ppm2      2.501 CV     1
 ASSI {  430}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 50   and name HA  ))
      3.000     1.100     1.100 peak   430 spectrum    1 weight  0.10000E+01 volume  0.25617E-02 ppm1      8.940 ppm2      3.956 CV     1
 ASSI {  431}
   (( segid " 1SG" and resid 23   and name HN  ))
   (  segid " 1SG" and resid 22   and name HD1%)
      2.800     1.000     1.000 peak   431 spectrum    1 weight  0.10000E+01 volume  0.25586E-02 ppm1      7.912 ppm2      0.534 CV     1
 ASSI {  432}
   (( segid " 1SG" and resid 30   and name HN  ))
   (( segid " 1SG" and resid 69   and name HA  ))
      2.700     0.900     0.900 peak   432 spectrum    1 weight  0.10000E+01 volume  0.25513E-02 ppm1      8.591 ppm2      4.580 CV     1
 ASSI {  434}
   (( segid " 1SG" and resid 61   and name HN  ))
   (( segid " 1SG" and resid 61   and name HA  ))
      2.700     0.900     0.900 peak   434 spectrum    1 weight  0.10000E+01 volume  0.25396E-02 ppm1      8.180 ppm2      5.560 CV     1
 ASSI {  435}
   (( segid " 1SG" and resid 87   and name HN  ))
   (( segid " 1SG" and resid 86   and name HA2 ))
      2.600     0.800     0.800 peak   435 spectrum    1 weight  0.10000E+01 volume  0.25334E-02 ppm1      9.112 ppm2      4.658 CV     1
 ASSI {  437}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 13   and name HA  ))
      2.800     1.000     1.000 peak   437 spectrum    1 weight  0.10000E+01 volume  0.25275E-02 ppm1      9.242 ppm2      5.338 CV     1
 ASSI {  439}
   (( segid " 1SG" and resid 8    and name HN  ))
   (( segid " 1SG" and resid 7    and name HA  ))
      2.700     0.900     0.900 peak   439 spectrum    1 weight  0.10000E+01 volume  0.25222E-02 ppm1      9.052 ppm2      4.631 CV     1
 ASSI {  440}
   (( segid " 1SG" and resid 86   and name HN  ))
   (( segid " 1SG" and resid 86   and name HA2 ))
      3.000     1.100     1.100 peak   440 spectrum    1 weight  0.10000E+01 volume  0.25219E-02 ppm1      7.947 ppm2      4.658 CV     1
 ASSI {  443}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 77   and name HB  ))
      2.700     0.900     0.900 peak   443 spectrum    1 weight  0.10000E+01 volume  0.24928E-02 ppm1      8.053 ppm2      4.009 CV     1
 ASSI {  446}
   (( segid " 1SG" and resid 101  and name HN  ))
   (( segid " 1SG" and resid 100  and name HA  ))
      2.700     0.900     0.900 peak   446 spectrum    1 weight  0.10000E+01 volume  0.24556E-02 ppm1      9.045 ppm2      4.660 CV     1
 ASSI {  448}
   (( segid " 1SG" and resid 63   and name HN  ))
   (( segid " 1SG" and resid 62   and name HB2 ))
      3.500     1.500     1.500 peak   448 spectrum    1 weight  0.10000E+01 volume  0.24546E-02 ppm1      8.516 ppm2      3.810 CV     1
 ASSI {  449}
   (( segid " 1SG" and resid 8    and name HN  ))
   (  segid " 1SG" and resid 8    and name HG2%)
      2.800     1.000     1.000 peak   449 spectrum    1 weight  0.10000E+01 volume  0.24544E-02 ppm1      9.052 ppm2      0.947 CV     1
 OR {  449}
   (( segid " 1SG" and resid 8    and name HN  ))
   (  segid " 1SG" and resid 8    and name HG1%)
 ASSI {  450}
   (( segid " 1SG" and resid 9    and name HN  ))
   (  segid " 1SG" and resid 8    and name HG2%)
      3.500     1.600     1.600 peak   450 spectrum    1 weight  0.10000E+01 volume  0.24393E-02 ppm1      7.890 ppm2      0.950 CV     1
 OR {  450}
   (( segid " 1SG" and resid 9    and name HN  ))
   (  segid " 1SG" and resid 8    and name HG1%)
 ASSI {  453}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 52   and name HB2 ))
      2.400     0.700     0.700 peak   453 spectrum    1 weight  0.10000E+01 volume  0.24162E-02 ppm1      7.785 ppm2      1.718 CV     1
 ASSI {  454}
   (( segid " 1SG" and resid 39   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG1%)
      3.800     1.800     1.800 peak   454 spectrum    1 weight  0.10000E+01 volume  0.24118E-02 ppm1      7.892 ppm2     -0.081 CV     1
 ASSI {  456}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 37   and name HB2 ))
      3.200     1.300     1.300 peak   456 spectrum    1 weight  0.10000E+01 volume  0.23969E-02 ppm1      8.373 ppm2      1.365 CV     1
 OR {  456}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 37   and name HG2 ))
 ASSI {  458}
   (( segid " 1SG" and resid 48   and name HN  ))
   (  segid " 1SG" and resid 47   and name HG1%)
      3.400     1.500     1.500 peak   458 spectrum    1 weight  0.10000E+01 volume  0.23833E-02 ppm1      8.397 ppm2      0.978 CV     1
 ASSI {  460}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 54   and name HA1 ))
      2.800     1.000     1.000 peak   460 spectrum    1 weight  0.10000E+01 volume  0.23742E-02 ppm1      9.019 ppm2      3.910 CV     1
 ASSI {  461}
   (( segid " 1SG" and resid 93   and name HN  ))
   (  segid " 1SG" and resid 93   and name HG2%)
      3.400     1.500     1.500 peak   461 spectrum    1 weight  0.10000E+01 volume  0.23691E-02 ppm1      8.557 ppm2      1.024 CV     1
 ASSI {  463}
   (( segid " 1SG" and resid 84   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG1%)
      2.800     1.000     1.000 peak   463 spectrum    1 weight  0.10000E+01 volume  0.23286E-02 ppm1      7.866 ppm2      0.680 CV     1
 ASSI {  465}
   (( segid " 1SG" and resid 40   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG2%)
      4.000     2.000     2.000 peak   465 spectrum    1 weight  0.10000E+01 volume  0.23214E-02 ppm1      8.695 ppm2     -0.459 CV     1
 ASSI {  466}
   (( segid " 1SG" and resid 24   and name HN  ))
   (  segid " 1SG" and resid 24   and name HD% )
      3.100     1.200     1.200 peak   466 spectrum    1 weight  0.10000E+01 volume  0.23134E-02 ppm1      9.240 ppm2      6.937 CV     1
 ASSI {  468}
   (( segid " 1SG" and resid 83   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG1%)
      2.700     0.900     0.900 peak   468 spectrum    1 weight  0.10000E+01 volume  0.23112E-02 ppm1      8.255 ppm2      0.675 CV     1
 ASSI {  469}
   (( segid " 1SG" and resid 27   and name HN  ))
   (  segid " 1SG" and resid 26   and name HB% )
      3.300     1.400     1.400 peak   469 spectrum    1 weight  0.10000E+01 volume  0.23023E-02 ppm1      8.888 ppm2      1.455 CV     1
 ASSI {  470}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 47   and name HA  ))
      2.800     1.000     1.000 peak   470 spectrum    1 weight  0.10000E+01 volume  0.22986E-02 ppm1      7.291 ppm2      4.058 CV     1
 ASSI {  474}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 21   and name HB2 ))
      2.800     1.000     1.000 peak   474 spectrum    1 weight  0.10000E+01 volume  0.22908E-02 ppm1      8.888 ppm2      3.751 CV     1
 ASSI {  476}
   (( segid " 1SG" and resid 51   and name HN  ))
   (( segid " 1SG" and resid 50   and name HN  ))
      2.800     1.000     1.000 peak   476 spectrum    1 weight  0.10000E+01 volume  0.22829E-02 ppm1      7.880 ppm2      8.943 CV     1
 ASSI {  477}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 18   and name HA  ))
      3.900     1.900     1.900 peak   477 spectrum    1 weight  0.10000E+01 volume  0.22808E-02 ppm1      8.823 ppm2      3.479 CV     1
 ASSI {  479}
   (( segid " 1SG" and resid 76   and name HN  ))
   (  segid " 1SG" and resid 23   and name HG2%)
      3.600     1.700     1.700 peak   479 spectrum    1 weight  0.10000E+01 volume  0.22770E-02 ppm1      8.927 ppm2      0.780 CV     1
 ASSI {  480}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 22   and name HA  ))
      2.700     0.900     0.900 peak   480 spectrum    1 weight  0.10000E+01 volume  0.22650E-02 ppm1      8.888 ppm2      4.342 CV     1
 ASSI {  482}
   (( segid " 1SG" and resid 49   and name HN  ))
   (  segid " 1SG" and resid 49   and name HD1%)
      2.700     0.900     0.900 peak   482 spectrum    1 weight  0.10000E+01 volume  0.22591E-02 ppm1      9.288 ppm2      1.750 CV     1
 ASSI {  483}
   (( segid " 1SG" and resid 30   and name HN  ))
   (( segid " 1SG" and resid 30   and name HA1 ))
      2.800     1.000     1.000 peak   483 spectrum    1 weight  0.10000E+01 volume  0.22516E-02 ppm1      8.591 ppm2      3.945 CV     1
 ASSI {  484}
   (( segid " 1SG" and resid 18   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.100     1.200     1.200 peak   484 spectrum    1 weight  0.10000E+01 volume  0.22290E-02 ppm1      8.006 ppm2      0.372 CV     1
 ASSI {  487}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 69   and name HB  ))
      3.100     3.100     2.900 peak   487 spectrum    1 weight  0.10000E+01 volume  0.22043E-02 ppm1      8.723 ppm2      1.750 CV     1
 ASSI {  489}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 97   and name HB2 ))
      3.100     1.200     1.200 peak   489 spectrum    1 weight  0.10000E+01 volume  0.21993E-02 ppm1      8.062 ppm2      2.677 CV     1
 ASSI {  490}
   (( segid " 1SG" and resid 83   and name HN  ))
   (  segid " 1SG" and resid 83   and name HD% )
      3.700     1.700     1.700 peak   490 spectrum    1 weight  0.10000E+01 volume  0.21992E-02 ppm1      8.256 ppm2      7.116 CV     1
 ASSI {  493}
   (( segid " 1SG" and resid 23   and name HN  ))
   (( segid " 1SG" and resid 22   and name HB  ))
      3.700     1.700     1.700 peak   493 spectrum    1 weight  0.10000E+01 volume  0.21913E-02 ppm1      7.914 ppm2      1.515 CV     1
 ASSI {  495}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 44   and name HA2 ))
      2.900     1.000     1.000 peak   495 spectrum    1 weight  0.10000E+01 volume  0.21795E-02 ppm1      8.211 ppm2      3.816 CV     1
 ASSI {  498}
   (( segid " 1SG" and resid 52   and name HN  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      3.200     1.300     1.300 peak   498 spectrum    1 weight  0.10000E+01 volume  0.21706E-02 ppm1      7.782 ppm2      1.075 CV     1
 ASSI {  500}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 66   and name HA  ))
      3.100     1.200     1.200 peak   500 spectrum    1 weight  0.10000E+01 volume  0.21668E-02 ppm1      7.422 ppm2      4.123 CV     1
 ASSI {  501}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 106  and name HB  ))
      3.000     1.100     1.100 peak   501 spectrum    1 weight  0.10000E+01 volume  0.21635E-02 ppm1      8.151 ppm2      1.850 CV     1
 ASSI {  502}
   (( segid " 1SG" and resid 30   and name HN  ))
   (  segid " 1SG" and resid 69   and name HG1%)
      3.600     1.600     1.600 peak   502 spectrum    1 weight  0.10000E+01 volume  0.21558E-02 ppm1      8.591 ppm2      0.849 CV     1
 OR {  502}
   (( segid " 1SG" and resid 30   and name HN  ))
   (  segid " 1SG" and resid 69   and name HG2%)
 ASSI {  503}
   (( segid " 1SG" and resid 87   and name HN  ))
   (  segid " 1SG" and resid 87   and name HD% )
      2.600     0.800     0.800 peak   503 spectrum    1 weight  0.10000E+01 volume  0.21406E-02 ppm1      9.115 ppm2      6.800 CV     1
 ASSI {  504}
   (( segid " 1SG" and resid 61   and name HN  ))
   (( segid " 1SG" and resid 60   and name HB2 ))
      3.800     1.800     1.800 peak   504 spectrum    1 weight  0.10000E+01 volume  0.21325E-02 ppm1      8.180 ppm2      2.991 CV     1
 ASSI {  506}
   (( segid " 1SG" and resid 82   and name HN  ))
   (  segid " 1SG" and resid 82   and name HB% )
      3.200     1.300     1.300 peak   506 spectrum    1 weight  0.10000E+01 volume  0.21173E-02 ppm1      8.017 ppm2      1.312 CV     1
 ASSI {  508}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 96   and name HB2 ))
      3.800     1.800     1.800 peak   508 spectrum    1 weight  0.10000E+01 volume  0.21086E-02 ppm1      8.059 ppm2      1.560 CV     1
 ASSI {  509}
   (( segid " 1SG" and resid 80   and name HE21))
   (( segid " 1SG" and resid 80   and name HB2 ))
      3.000     1.100     1.100 peak   509 spectrum    1 weight  0.10000E+01 volume  0.21052E-02 ppm1      6.985 ppm2      1.949 CV     1
 OR {  509}
   (( segid " 1SG" and resid 80   and name HE21))
   (( segid " 1SG" and resid 80   and name HB1 ))
 ASSI {  510}
   (( segid " 1SG" and resid 85   and name HN  ))
   (( segid " 1SG" and resid 85   and name HA1 ))
      2.800     1.000     1.000 peak   510 spectrum    1 weight  0.10000E+01 volume  0.20956E-02 ppm1      9.407 ppm2      3.930 CV     1
 ASSI {  511}
   (( segid " 1SG" and resid 12   and name HN  ))
   (( segid " 1SG" and resid 12   and name HB2 ))
      3.000     1.100     1.100 peak   511 spectrum    1 weight  0.10000E+01 volume  0.20848E-02 ppm1      8.347 ppm2      1.969 CV     1
 ASSI {  512}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 102  and name HB2 ))
      3.300     1.400     1.400 peak   512 spectrum    1 weight  0.10000E+01 volume  0.20848E-02 ppm1      9.242 ppm2      2.724 CV     1
 ASSI {  515}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 20   and name HN  ))
      3.200     1.300     1.300 peak   515 spectrum    1 weight  0.10000E+01 volume  0.20775E-02 ppm1      8.972 ppm2      8.828 CV     1
 ASSI {  516}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 8    and name HB  ))
      2.900     1.000     1.000 peak   516 spectrum    1 weight  0.10000E+01 volume  0.20683E-02 ppm1      7.887 ppm2      1.807 CV     1
 ASSI {  518}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 87   and name HA  ))
      2.800     1.000     1.000 peak   518 spectrum    1 weight  0.10000E+01 volume  0.20617E-02 ppm1      9.108 ppm2      4.962 CV     1
 ASSI {  522}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB1 ))
      3.700     1.700     1.700 peak   522 spectrum    1 weight  0.10000E+01 volume  0.20454E-02 ppm1      8.381 ppm2      2.395 CV     1
 OR {  522}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB2 ))
 ASSI {  526}
   (( segid " 1SG" and resid 29   and name HN  ))
   (( segid " 1SG" and resid 29   and name HA  ))
      2.900     1.000     1.000 peak   526 spectrum    1 weight  0.10000E+01 volume  0.20058E-02 ppm1      8.854 ppm2      4.390 CV     1
 ASSI {  530}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 54   and name HA2 ))
      3.200     1.300     1.300 peak   530 spectrum    1 weight  0.10000E+01 volume  0.19839E-02 ppm1      9.019 ppm2      4.291 CV     1
 ASSI {  531}
   (( segid " 1SG" and resid 19   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      3.300     1.300     1.300 peak   531 spectrum    1 weight  0.10000E+01 volume  0.19701E-02 ppm1      9.828 ppm2      1.174 CV     1
 ASSI {  532}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 60   and name HB2 ))
      2.900     1.000     1.000 peak   532 spectrum    1 weight  0.10000E+01 volume  0.19682E-02 ppm1      8.687 ppm2      2.990 CV     1
 ASSI {  533}
   (( segid " 1SG" and resid 5    and name HN  ))
   (( segid " 1SG" and resid 4    and name HB  ))
      2.600     0.900     0.900 peak   533 spectrum    1 weight  0.10000E+01 volume  0.19592E-02 ppm1      8.144 ppm2      2.029 CV     1
 ASSI {  534}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 71   and name HN  ))
      2.900     1.100     1.100 peak   534 spectrum    1 weight  0.10000E+01 volume  0.19574E-02 ppm1      8.848 ppm2      8.722 CV     1
 ASSI {  535}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 105  and name HB  ))
      2.900     1.100     1.100 peak   535 spectrum    1 weight  0.10000E+01 volume  0.19481E-02 ppm1      8.398 ppm2      3.929 CV     1
 ASSI {  537}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 58   and name HA  ))
      2.800     1.000     1.000 peak   537 spectrum    1 weight  0.10000E+01 volume  0.19461E-02 ppm1      8.940 ppm2      4.631 CV     1
 ASSI {  539}
   (( segid " 1SG" and resid 28   and name HN  ))
   (  segid " 1SG" and resid 28   and name HG2%)
      3.000     1.200     1.200 peak   539 spectrum    1 weight  0.10000E+01 volume  0.19393E-02 ppm1      9.673 ppm2      0.631 CV     1
 ASSI {  540}
   (( segid " 1SG" and resid 48   and name HN  ))
   (( segid " 1SG" and resid 48   and name HA  ))
      2.900     1.100     1.100 peak   540 spectrum    1 weight  0.10000E+01 volume  0.19325E-02 ppm1      8.396 ppm2      4.191 CV     1
 ASSI {  541}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 40   and name HB2 ))
      3.600     1.600     1.600 peak   541 spectrum    1 weight  0.10000E+01 volume  0.19309E-02 ppm1      8.694 ppm2      1.340 CV     1
 ASSI {  542}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 59   and name HA  ))
      2.800     1.000     1.000 peak   542 spectrum    1 weight  0.10000E+01 volume  0.19294E-02 ppm1      8.380 ppm2      5.185 CV     1
 ASSI {  544}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 16   and name HN  ))
      3.300     1.300     1.300 peak   544 spectrum    1 weight  0.10000E+01 volume  0.19185E-02 ppm1      8.823 ppm2      8.584 CV     1
 ASSI {  545}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 93   and name HN  ))
      2.800     1.000     1.000 peak   545 spectrum    1 weight  0.10000E+01 volume  0.19172E-02 ppm1      7.548 ppm2      8.557 CV     1
 ASSI {  546}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 71   and name HB2 ))
      3.300     1.300     1.300 peak   546 spectrum    1 weight  0.10000E+01 volume  0.19119E-02 ppm1      8.723 ppm2      1.271 CV     1
 ASSI {  548}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 58   and name HG2 ))
      4.500     2.500     1.500 peak   548 spectrum    1 weight  0.10000E+01 volume  0.19052E-02 ppm1      8.378 ppm2      1.797 CV     1
 ASSI {  549}
   (( segid " 1SG" and resid 91   and name HN  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      3.800     1.800     1.800 peak   549 spectrum    1 weight  0.10000E+01 volume  0.19052E-02 ppm1      8.474 ppm2      0.179 CV     1
 ASSI {  550}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 14   and name HA2 ))
      2.900     1.000     1.000 peak   550 spectrum    1 weight  0.10000E+01 volume  0.19007E-02 ppm1      9.184 ppm2      4.939 CV     1
 ASSI {  551}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 40   and name HB2 ))
      3.500     1.500     1.500 peak   551 spectrum    1 weight  0.10000E+01 volume  0.18971E-02 ppm1      9.309 ppm2      1.344 CV     1
 ASSI {  554}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 88   and name HA  ))
      2.900     1.000     1.000 peak   554 spectrum    1 weight  0.10000E+01 volume  0.18880E-02 ppm1      8.977 ppm2      5.305 CV     1
 ASSI {  555}
   (( segid " 1SG" and resid 59   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD1%)
      4.000     2.000     2.000 peak   555 spectrum    1 weight  0.10000E+01 volume  0.18842E-02 ppm1      8.380 ppm2      0.859 CV     1
 ASSI {  558}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 49   and name HN  ))
      2.900     1.000     1.000 peak   558 spectrum    1 weight  0.10000E+01 volume  0.18678E-02 ppm1      8.941 ppm2      9.293 CV     1
 ASSI {  559}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 47   and name HB  ))
      3.300     1.400     1.400 peak   559 spectrum    1 weight  0.10000E+01 volume  0.18657E-02 ppm1      8.633 ppm2      2.501 CV     1
 ASSI {  560}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 92   and name HB2 ))
      3.100     1.200     1.200 peak   560 spectrum    1 weight  0.10000E+01 volume  0.18600E-02 ppm1      8.734 ppm2      3.936 CV     1
 OR {  560}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 92   and name HB1 ))
 ASSI {  561}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 96   and name HB2 ))
      2.500     0.800     0.800 peak   561 spectrum    1 weight  0.10000E+01 volume  0.18546E-02 ppm1      7.548 ppm2      1.566 CV     1
 ASSI {  563}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 64   and name HA  ))
      3.800     1.800     1.800 peak   563 spectrum    1 weight  0.10000E+01 volume  0.18449E-02 ppm1      8.107 ppm2      4.573 CV     1
 ASSI {  564}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 39   and name HA  ))
      2.900     1.000     1.000 peak   564 spectrum    1 weight  0.10000E+01 volume  0.18420E-02 ppm1      7.892 ppm2      4.799 CV     1
 ASSI {  565}
   (( segid " 1SG" and resid 72   and name HN  ))
   (  segid " 1SG" and resid 72   and name HD% )
      2.800     1.000     1.000 peak   565 spectrum    1 weight  0.10000E+01 volume  0.18409E-02 ppm1      9.296 ppm2      7.306 CV     1
 ASSI {  566}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 14   and name HA1 ))
      3.000     1.100     1.100 peak   566 spectrum    1 weight  0.10000E+01 volume  0.18320E-02 ppm1      9.184 ppm2      3.743 CV     1
 ASSI {  567}
   (( segid " 1SG" and resid 77   and name HN  ))
   (( segid " 1SG" and resid 77   and name HA  ))
      2.800     1.000     1.000 peak   567 spectrum    1 weight  0.10000E+01 volume  0.18318E-02 ppm1      8.715 ppm2      4.655 CV     1
 ASSI {  570}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 87   and name HA  ))
      3.100     1.200     1.200 peak   570 spectrum    1 weight  0.10000E+01 volume  0.18035E-02 ppm1      8.211 ppm2      4.972 CV     1
 ASSI {  571}
   (( segid " 1SG" and resid 30   and name HN  ))
   (( segid " 1SG" and resid 30   and name HA2 ))
      3.200     1.200     1.200 peak   571 spectrum    1 weight  0.10000E+01 volume  0.18014E-02 ppm1      8.590 ppm2      4.673 CV     1
 ASSI {  573}
   (( segid " 1SG" and resid 108  and name HN  ))
   (  segid " 1SG" and resid 18   and name HG2%)
      3.500     1.600     1.600 peak   573 spectrum    1 weight  0.10000E+01 volume  0.17787E-02 ppm1      8.565 ppm2      0.943 CV     1
 ASSI {  574}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 13   and name HB2 ))
      2.500     0.800     0.800 peak   574 spectrum    1 weight  0.10000E+01 volume  0.17772E-02 ppm1      9.184 ppm2      2.684 CV     1
 ASSI {  575}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 75   and name HB2 ))
      3.100     1.200     1.200 peak   575 spectrum    1 weight  0.10000E+01 volume  0.17767E-02 ppm1      8.941 ppm2      2.888 CV     1
 OR {  575}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 75   and name HB1 ))
 ASSI {  576}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 77   and name HA  ))
      2.800     1.000     1.000 peak   576 spectrum    1 weight  0.10000E+01 volume  0.17674E-02 ppm1      8.887 ppm2      4.655 CV     1
 ASSI {  578}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 40   and name HA  ))
      2.900     1.100     1.100 peak   578 spectrum    1 weight  0.10000E+01 volume  0.17669E-02 ppm1      8.696 ppm2      4.547 CV     1
 ASSI {  579}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 65   and name HA  ))
      3.200     1.300     1.300 peak   579 spectrum    1 weight  0.10000E+01 volume  0.17649E-02 ppm1      8.106 ppm2      3.452 CV     1
 ASSI {  581}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 84   and name HA  ))
      3.000     1.100     1.100 peak   581 spectrum    1 weight  0.10000E+01 volume  0.17471E-02 ppm1      8.151 ppm2      4.228 CV     1
 ASSI {  582}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 56   and name HN  ))
      2.900     1.000     1.000 peak   582 spectrum    1 weight  0.10000E+01 volume  0.17469E-02 ppm1      7.199 ppm2      8.391 CV     1
 ASSI {  584}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 96   and name HG1 ))
      3.900     1.900     1.900 peak   584 spectrum    1 weight  0.10000E+01 volume  0.17456E-02 ppm1      8.062 ppm2      1.318 CV     1
 OR {  584}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 96   and name HG2 ))
 ASSI {  585}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HB1 ))
      3.000     1.200     1.200 peak   585 spectrum    1 weight  0.10000E+01 volume  0.17431E-02 ppm1      8.888 ppm2      1.573 CV     1
 OR {  585}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HB2 ))
 ASSI {  586}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 27   and name HN  ))
      3.100     1.200     1.200 peak   586 spectrum    1 weight  0.10000E+01 volume  0.17413E-02 ppm1      7.890 ppm2      8.886 CV     1
 ASSI {  587}
   (( segid " 1SG" and resid 79   and name HN  ))
   (  segid " 1SG" and resid 76   and name HG2%)
      3.300     1.300     1.300 peak   587 spectrum    1 weight  0.10000E+01 volume  0.17361E-02 ppm1      8.974 ppm2      0.787 CV     1
 ASSI {  590}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 53   and name HA  ))
      3.800     1.800     1.800 peak   590 spectrum    1 weight  0.10000E+01 volume  0.17139E-02 ppm1      7.198 ppm2      4.042 CV     1
 ASSI {  592}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 94   and name HA  ))
      3.100     1.200     1.200 peak   592 spectrum    1 weight  0.10000E+01 volume  0.17110E-02 ppm1      7.971 ppm2      4.045 CV     1
 ASSI {  593}
   (( segid " 1SG" and resid 63   and name HN  ))
   (( segid " 1SG" and resid 63   and name HB2 ))
      3.700     1.700     1.700 peak   593 spectrum    1 weight  0.10000E+01 volume  0.17100E-02 ppm1      8.518 ppm2      2.529 CV     1
 ASSI {  595}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 76   and name HB  ))
      3.400     1.400     1.400 peak   595 spectrum    1 weight  0.10000E+01 volume  0.16985E-02 ppm1      8.888 ppm2      1.901 CV     1
 ASSI {  596}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 104  and name HA  ))
      2.900     1.100     1.100 peak   596 spectrum    1 weight  0.10000E+01 volume  0.16966E-02 ppm1      9.184 ppm2      5.418 CV     1
 ASSI {  597}
   (( segid " 1SG" and resid 18   and name HN  ))
   (( segid " 1SG" and resid 108  and name HA  ))
      3.300     1.400     1.400 peak   597 spectrum    1 weight  0.10000E+01 volume  0.16966E-02 ppm1      8.006 ppm2      4.146 CV     1
 ASSI {  599}
   (( segid " 1SG" and resid 80   and name HN  ))
   (( segid " 1SG" and resid 79   and name HA  ))
      2.900     1.000     1.000 peak   599 spectrum    1 weight  0.10000E+01 volume  0.16827E-02 ppm1      5.579 ppm2      3.659 CV     1
 ASSI {  601}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      4.100     2.100     1.900 peak   601 spectrum    1 weight  0.10000E+01 volume  0.16713E-02 ppm1      9.018 ppm2      1.461 CV     1
 ASSI {  603}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 38   and name HN  ))
      2.900     1.100     1.100 peak   603 spectrum    1 weight  0.10000E+01 volume  0.16626E-02 ppm1      8.735 ppm2      8.378 CV     1
 ASSI {  604}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 46   and name HN  ))
      2.600     0.800     0.800 peak   604 spectrum    1 weight  0.10000E+01 volume  0.16610E-02 ppm1      7.293 ppm2      8.221 CV     1
 ASSI {  608}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 78   and name HB2 ))
      3.100     1.200     1.200 peak   608 spectrum    1 weight  0.10000E+01 volume  0.16460E-02 ppm1      8.054 ppm2      2.374 CV     1
 ASSI {  611}
   (( segid " 1SG" and resid 23   and name HN  ))
   (  segid " 1SG" and resid 23   and name HG2%)
      3.800     1.800     1.800 peak   611 spectrum    1 weight  0.10000E+01 volume  0.16381E-02 ppm1      7.914 ppm2      0.771 CV     1
 ASSI {  612}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 28   and name HB  ))
      3.000     1.200     1.200 peak   612 spectrum    1 weight  0.10000E+01 volume  0.16308E-02 ppm1      9.674 ppm2      1.955 CV     1
 ASSI {  613}
   (( segid " 1SG" and resid 107  and name HN  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      3.500     1.600     1.600 peak   613 spectrum    1 weight  0.10000E+01 volume  0.16288E-02 ppm1      8.823 ppm2      0.606 CV     1
 ASSI {  614}
   (( segid " 1SG" and resid 17   and name HN  ))
   (( segid " 1SG" and resid 18   and name HN  ))
      3.600     1.600     1.600 peak   614 spectrum    1 weight  0.10000E+01 volume  0.16232E-02 ppm1      7.899 ppm2      7.995 CV     1
 ASSI {  619}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 2    and name HB2 ))
      4.400     2.400     1.600 peak   619 spectrum    1 weight  0.10000E+01 volume  0.15845E-02 ppm1      7.971 ppm2      2.674 CV     1
 ASSI {  620}
   (( segid " 1SG" and resid 107  and name HN  ))
   (  segid " 1SG" and resid 106  and name HG1%)
      4.000     2.000     2.000 peak   620 spectrum    1 weight  0.10000E+01 volume  0.15819E-02 ppm1      8.823 ppm2      0.675 CV     1
 ASSI {  622}
   (( segid " 1SG" and resid 61   and name HN  ))
   (( segid " 1SG" and resid 61   and name HB2 ))
      3.300     1.400     1.400 peak   622 spectrum    1 weight  0.10000E+01 volume  0.15714E-02 ppm1      8.177 ppm2      2.298 CV     1
 ASSI {  623}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 58   and name HG2 ))
      3.500     1.500     1.500 peak   623 spectrum    1 weight  0.10000E+01 volume  0.15710E-02 ppm1      8.941 ppm2      1.805 CV     1
 ASSI {  626}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 92   and name HA  ))
      3.100     1.200     1.200 peak   626 spectrum    1 weight  0.10000E+01 volume  0.15673E-02 ppm1      8.735 ppm2      5.242 CV     1
 ASSI {  627}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 68   and name HN  ))
      3.800     1.800     1.800 peak   627 spectrum    1 weight  0.10000E+01 volume  0.15671E-02 ppm1      8.106 ppm2      7.877 CV     1
 ASSI {  630}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 16   and name HB  ))
      3.600     1.600     1.600 peak   630 spectrum    1 weight  0.10000E+01 volume  0.15515E-02 ppm1      8.594 ppm2      1.795 CV     1
 ASSI {  631}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 97   and name HA  ))
      3.200     1.300     1.300 peak   631 spectrum    1 weight  0.10000E+01 volume  0.15514E-02 ppm1      8.062 ppm2      5.253 CV     1
 ASSI {  632}
   (( segid " 1SG" and resid 58   and name HE22))
   (( segid " 1SG" and resid 76   and name HG12))
      3.900     1.900     1.900 peak   632 spectrum    1 weight  0.10000E+01 volume  0.15500E-02 ppm1      6.684 ppm2      1.101 CV     1
 ASSI {  635}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB2 ))
      3.100     1.200     1.200 peak   635 spectrum    1 weight  0.10000E+01 volume  0.15426E-02 ppm1      8.944 ppm2      2.395 CV     1
 OR {  635}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB1 ))
 ASSI {  636}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 25   and name HB2 ))
      3.300     1.300     1.300 peak   636 spectrum    1 weight  0.10000E+01 volume  0.15367E-02 ppm1      8.404 ppm2      3.599 CV     1
 ASSI {  637}
   (( segid " 1SG" and resid 7    and name HN  ))
   (  segid " 1SG" and resid 7    and name HD% )
      3.800     1.800     1.800 peak   637 spectrum    1 weight  0.10000E+01 volume  0.15323E-02 ppm1      8.878 ppm2      7.307 CV     1
 ASSI {  638}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 75   and name HA  ))
      3.100     1.200     1.200 peak   638 spectrum    1 weight  0.10000E+01 volume  0.15305E-02 ppm1      9.154 ppm2      5.086 CV     1
 ASSI {  642}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 35   and name HD1 ))
      3.400     1.500     1.500 peak   642 spectrum    1 weight  0.10000E+01 volume  0.15179E-02 ppm1      8.373 ppm2      1.622 CV     1
 OR {  642}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 35   and name HD2 ))
 ASSI {  643}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 75   and name HN  ))
      2.900     1.100     1.100 peak   643 spectrum    1 weight  0.10000E+01 volume  0.15167E-02 ppm1      8.939 ppm2      9.154 CV     1
 ASSI {  644}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 19   and name HN  ))
      3.200     1.300     1.300 peak   644 spectrum    1 weight  0.10000E+01 volume  0.15000E-02 ppm1      8.973 ppm2      9.828 CV     1
 ASSI {  645}
   (( segid " 1SG" and resid 59   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD2%)
      3.900     1.900     1.900 peak   645 spectrum    1 weight  0.10000E+01 volume  0.14970E-02 ppm1      8.381 ppm2      0.692 CV     1
 ASSI {  646}
   (( segid " 1SG" and resid 5    and name HN  ))
   (( segid " 1SG" and resid 4    and name HA  ))
      3.400     1.400     1.400 peak   646 spectrum    1 weight  0.10000E+01 volume  0.14938E-02 ppm1      8.144 ppm2      4.009 CV     1
 ASSI {  647}
   (( segid " 1SG" and resid 77   and name HN  ))
   (( segid " 1SG" and resid 57   and name HA  ))
      4.000     2.000     2.000 peak   647 spectrum    1 weight  0.10000E+01 volume  0.14926E-02 ppm1      8.715 ppm2      5.396 CV     1
 ASSI {  649}
   (( segid " 1SG" and resid 80   and name HE22))
   (( segid " 1SG" and resid 80   and name HB2 ))
      3.900     1.900     1.900 peak   649 spectrum    1 weight  0.10000E+01 volume  0.14866E-02 ppm1      6.645 ppm2      1.953 CV     1
 OR {  649}
   (( segid " 1SG" and resid 80   and name HE22))
   (( segid " 1SG" and resid 80   and name HB1 ))
 ASSI {  651}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 94   and name HB2 ))
      2.800     1.000     1.000 peak   651 spectrum    1 weight  0.10000E+01 volume  0.14758E-02 ppm1      7.971 ppm2      1.782 CV     1
 ASSI {  652}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 11   and name HA  ))
      3.700     1.700     1.700 peak   652 spectrum    1 weight  0.10000E+01 volume  0.14696E-02 ppm1      8.398 ppm2      4.795 CV     1
 ASSI {  653}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 64   and name HB2 ))
      3.500     1.500     1.500 peak   653 spectrum    1 weight  0.10000E+01 volume  0.14656E-02 ppm1      6.898 ppm2      2.337 CV     1
 ASSI {  654}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 59   and name HG  ))
      4.000     2.000     2.000 peak   654 spectrum    1 weight  0.10000E+01 volume  0.14639E-02 ppm1      8.699 ppm2      1.425 CV     1
 ASSI {  655}
   (( segid " 1SG" and resid 7    and name HN  ))
   (( segid " 1SG" and resid 6    and name HG  ))
      3.800     1.800     1.800 peak   655 spectrum    1 weight  0.10000E+01 volume  0.14624E-02 ppm1      8.878 ppm2      1.313 CV     1
 ASSI {  656}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 68   and name HA  ))
      4.600     2.600     1.400 peak   656 spectrum    1 weight  0.10000E+01 volume  0.14599E-02 ppm1      7.420 ppm2      3.594 CV     1
 ASSI {  658}
   (( segid " 1SG" and resid 26   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD1%)
      3.200     1.300     1.300 peak   658 spectrum    1 weight  0.10000E+01 volume  0.14589E-02 ppm1      9.497 ppm2      0.841 CV     1
 ASSI {  659}
   (( segid " 1SG" and resid 103  and name HD22))
   (( segid " 1SG" and resid 103  and name HB2 ))
      4.200     2.200     1.800 peak   659 spectrum    1 weight  0.10000E+01 volume  0.14567E-02 ppm1      6.747 ppm2      2.501 CV     1
 ASSI {  660}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 24   and name HB2 ))
      3.800     1.800     1.800 peak   660 spectrum    1 weight  0.10000E+01 volume  0.14560E-02 ppm1      8.399 ppm2      2.394 CV     1
 ASSI {  661}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 45   and name HD2 ))
      3.600     1.600     1.600 peak   661 spectrum    1 weight  0.10000E+01 volume  0.14529E-02 ppm1     10.113 ppm2      1.215 CV     1
 OR {  661}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 45   and name HD1 ))
 ASSI {  662}
   (( segid " 1SG" and resid 34   and name HN  ))
   (( segid " 1SG" and resid 93   and name HA  ))
      3.800     3.800     2.200 peak   662 spectrum    1 weight  0.10000E+01 volume  0.14485E-02 ppm1      8.673 ppm2      4.763 CV     1
 ASSI {  663}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 73   and name HN  ))
      3.200     1.300     1.300 peak   663 spectrum    1 weight  0.10000E+01 volume  0.14460E-02 ppm1      8.686 ppm2      9.449 CV     1
 ASSI {  664}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 61   and name HA  ))
      3.600     1.700     1.700 peak   664 spectrum    1 weight  0.10000E+01 volume  0.14454E-02 ppm1      9.450 ppm2      5.557 CV     1
 ASSI {  665}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 24   and name HA  ))
      3.100     1.200     1.200 peak   665 spectrum    1 weight  0.10000E+01 volume  0.14452E-02 ppm1      9.240 ppm2      4.615 CV     1
 ASSI {  666}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 27   and name HB2 ))
      3.300     1.400     1.400 peak   666 spectrum    1 weight  0.10000E+01 volume  0.14333E-02 ppm1      9.672 ppm2      1.578 CV     1
 OR {  666}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 27   and name HB1 ))
 ASSI {  667}
   (( segid " 1SG" and resid 104  and name HN  ))
   (  segid " 1SG" and resid 87   and name HD% )
      3.300     1.300     1.300 peak   667 spectrum    1 weight  0.10000E+01 volume  0.14320E-02 ppm1      8.792 ppm2      6.806 CV     1
 ASSI {  668}
   (( segid " 1SG" and resid 26   and name HN  ))
   (( segid " 1SG" and resid 25   and name HB2 ))
      3.700     1.700     1.700 peak   668 spectrum    1 weight  0.10000E+01 volume  0.14276E-02 ppm1      9.497 ppm2      3.598 CV     1
 ASSI {  669}
   (( segid " 1SG" and resid 58   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
      3.300     1.300     1.300 peak   669 spectrum    1 weight  0.10000E+01 volume  0.14273E-02 ppm1      8.941 ppm2      0.604 CV     1
 OR {  669}
   (( segid " 1SG" and resid 58   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI {  670}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 3    and name HD2 ))
      4.000     2.000     2.000 peak   670 spectrum    1 weight  0.10000E+01 volume  0.14194E-02 ppm1      8.118 ppm2      3.845 CV     1
 OR {  670}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 3    and name HD1 ))
 ASSI {  672}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 93   and name HA  ))
      3.500     1.500     1.500 peak   672 spectrum    1 weight  0.10000E+01 volume  0.14156E-02 ppm1      8.375 ppm2      4.772 CV     1
 ASSI {  673}
   (( segid " 1SG" and resid 25   and name HN  ))
   (  segid " 1SG" and resid 24   and name HD% )
      4.000     2.000     2.000 peak   673 spectrum    1 weight  0.10000E+01 volume  0.14139E-02 ppm1      8.400 ppm2      6.932 CV     1
 ASSI {  676}
   (( segid " 1SG" and resid 68   and name HN  ))
   (( segid " 1SG" and resid 67   and name HA  ))
      3.500     1.500     1.500 peak   676 spectrum    1 weight  0.10000E+01 volume  0.14073E-02 ppm1      7.874 ppm2      4.297 CV     1
 ASSI {  678}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 107  and name HD2 ))
      3.200     1.300     1.300 peak   678 spectrum    1 weight  0.10000E+01 volume  0.14053E-02 ppm1      8.821 ppm2      6.922 CV     1
 ASSI {  679}
   (( segid " 1SG" and resid 8    and name HN  ))
   (( segid " 1SG" and resid 8    and name HB  ))
      3.200     1.300     1.300 peak   679 spectrum    1 weight  0.10000E+01 volume  0.14018E-02 ppm1      9.052 ppm2      1.821 CV     1
 ASSI {  680}
   (( segid " 1SG" and resid 77   and name HN  ))
   (( segid " 1SG" and resid 77   and name HB  ))
      3.600     1.700     1.700 peak   680 spectrum    1 weight  0.10000E+01 volume  0.14009E-02 ppm1      8.717 ppm2      4.008 CV     1
 ASSI {  681}
   (( segid " 1SG" and resid 23   and name HN  ))
   (( segid " 1SG" and resid 23   and name HA  ))
      3.000     1.100     1.100 peak   681 spectrum    1 weight  0.10000E+01 volume  0.13988E-02 ppm1      7.913 ppm2      5.100 CV     1
 ASSI {  682}
   (( segid " 1SG" and resid 100  and name HN  ))
   (( segid " 1SG" and resid 90   and name HA  ))
      3.600     1.600     1.600 peak   682 spectrum    1 weight  0.10000E+01 volume  0.13975E-02 ppm1      8.897 ppm2      4.788 CV     1
 ASSI {  683}
   (( segid " 1SG" and resid 76   and name HN  ))
   (( segid " 1SG" and resid 75   and name HB1 ))
      4.000     2.000     2.000 peak   683 spectrum    1 weight  0.10000E+01 volume  0.13957E-02 ppm1      8.925 ppm2      2.891 CV     1
 OR {  683}
   (( segid " 1SG" and resid 76   and name HN  ))
   (( segid " 1SG" and resid 75   and name HB2 ))
 ASSI {  684}
   (( segid " 1SG" and resid 102  and name HN  ))
   (( segid " 1SG" and resid 102  and name HA  ))
      3.200     1.300     1.300 peak   684 spectrum    1 weight  0.10000E+01 volume  0.13945E-02 ppm1      8.557 ppm2      4.989 CV     1
 ASSI {  686}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 49   and name HB2 ))
      3.700     1.700     1.700 peak   686 spectrum    1 weight  0.10000E+01 volume  0.13928E-02 ppm1      7.786 ppm2      1.548 CV     1
 ASSI {  690}
   (( segid " 1SG" and resid 64   and name HN  ))
   (( segid " 1SG" and resid 69   and name HN  ))
      3.200     1.300     1.300 peak   690 spectrum    1 weight  0.10000E+01 volume  0.13818E-02 ppm1      7.751 ppm2      6.898 CV     1
 ASSI {  691}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 33   and name HA  ))
      4.100     2.100     1.900 peak   691 spectrum    1 weight  0.10000E+01 volume  0.13810E-02 ppm1      7.509 ppm2      4.450 CV     1
 ASSI {  694}
   (( segid " 1SG" and resid 74   and name HN  ))
   (  segid " 1SG" and resid 23   and name HG2%)
      3.500     1.500     1.500 peak   694 spectrum    1 weight  0.10000E+01 volume  0.13752E-02 ppm1      8.470 ppm2      0.765 CV     1
 ASSI {  696}
   (( segid " 1SG" and resid 68   and name HN  ))
   (( segid " 1SG" and resid 65   and name HA  ))
      3.000     1.100     1.100 peak   696 spectrum    1 weight  0.10000E+01 volume  0.13688E-02 ppm1      7.878 ppm2      3.451 CV     1
 ASSI {  698}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 45   and name HB2 ))
      3.500     1.500     1.500 peak   698 spectrum    1 weight  0.10000E+01 volume  0.13604E-02 ppm1     10.115 ppm2      0.595 CV     1
 OR {  698}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 45   and name HG2 ))
 ASSI {  699}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 38   and name HB  ))
      3.900     1.900     1.900 peak   699 spectrum    1 weight  0.10000E+01 volume  0.13570E-02 ppm1      7.893 ppm2      1.891 CV     1
 ASSI {  700}
   (( segid " 1SG" and resid 26   and name HN  ))
   (( segid " 1SG" and resid 26   and name HA  ))
      3.200     1.200     1.200 peak   700 spectrum    1 weight  0.10000E+01 volume  0.13540E-02 ppm1      9.494 ppm2      4.916 CV     1
 ASSI {  701}
   (( segid " 1SG" and resid 106  and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      4.100     2.100     1.900 peak   701 spectrum    1 weight  0.10000E+01 volume  0.13534E-02 ppm1      8.148 ppm2      0.372 CV     1
 ASSI {  702}
   (( segid " 1SG" and resid 50   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD1%)
      3.500     1.500     1.500 peak   702 spectrum    1 weight  0.10000E+01 volume  0.13532E-02 ppm1      8.941 ppm2      0.855 CV     1
 ASSI {  703}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 21   and name HA  ))
      2.800     1.000     1.000 peak   703 spectrum    1 weight  0.10000E+01 volume  0.13532E-02 ppm1      8.053 ppm2      5.494 CV     1
 ASSI {  704}
   (( segid " 1SG" and resid 38   and name HN  ))
   (  segid " 1SG" and resid 93   and name HG2%)
      4.100     2.100     1.900 peak   704 spectrum    1 weight  0.10000E+01 volume  0.13511E-02 ppm1      8.372 ppm2      1.022 CV     1
 ASSI {  706}
   (( segid " 1SG" and resid 87   and name HN  ))
   (( segid " 1SG" and resid 103  and name HA  ))
      3.200     1.200     1.200 peak   706 spectrum    1 weight  0.10000E+01 volume  0.13491E-02 ppm1      9.115 ppm2      5.535 CV     1
 ASSI {  707}
   (( segid " 1SG" and resid 33   and name HN  ))
   (( segid " 1SG" and resid 33   and name HB2 ))
      3.800     1.800     1.800 peak   707 spectrum    1 weight  0.10000E+01 volume  0.13465E-02 ppm1      7.611 ppm2      1.718 CV     1
 ASSI {  708}
   (( segid " 1SG" and resid 71   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD2%)
      4.300     2.300     1.700 peak   708 spectrum    1 weight  0.10000E+01 volume  0.13449E-02 ppm1      8.723 ppm2      0.733 CV     1
 ASSI {  709}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 27   and name HB1 ))
      3.300     1.300     1.300 peak   709 spectrum    1 weight  0.10000E+01 volume  0.13442E-02 ppm1      7.888 ppm2      1.570 CV     1
 OR {  709}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 27   and name HB2 ))
 ASSI {  710}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 72   and name HA  ))
      3.500     1.600     1.600 peak   710 spectrum    1 weight  0.10000E+01 volume  0.13409E-02 ppm1      8.849 ppm2      5.367 CV     1
 ASSI {  711}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 24   and name HB2 ))
      3.000     1.100     1.100 peak   711 spectrum    1 weight  0.10000E+01 volume  0.13394E-02 ppm1      9.240 ppm2      2.394 CV     1
 ASSI {  712}
   (( segid " 1SG" and resid 19   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      4.000     2.000     2.000 peak   712 spectrum    1 weight  0.10000E+01 volume  0.13374E-02 ppm1      9.827 ppm2      0.372 CV     1
 ASSI {  713}
   (( segid " 1SG" and resid 72   and name HN  ))
   (( segid " 1SG" and resid 72   and name HB2 ))
      2.800     1.000     1.000 peak   713 spectrum    1 weight  0.10000E+01 volume  0.13361E-02 ppm1      9.295 ppm2      2.892 CV     1
 ASSI {  715}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 49   and name HA  ))
      3.300     1.400     1.400 peak   715 spectrum    1 weight  0.10000E+01 volume  0.13355E-02 ppm1      8.940 ppm2      3.867 CV     1
 ASSI {  716}
   (( segid " 1SG" and resid 42   and name HN  ))
   (  segid " 1SG" and resid 42   and name HD% )
      4.100     2.100     1.900 peak   716 spectrum    1 weight  0.10000E+01 volume  0.13351E-02 ppm1      9.448 ppm2      6.695 CV     1
 ASSI {  718}
   (( segid " 1SG" and resid 85   and name HN  ))
   (( segid " 1SG" and resid 104  and name HN  ))
      3.300     1.400     1.400 peak   718 spectrum    1 weight  0.10000E+01 volume  0.13317E-02 ppm1      9.408 ppm2      8.792 CV     1
 ASSI {  720}
   (( segid " 1SG" and resid 54   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
      3.700     1.700     1.700 peak   720 spectrum    1 weight  0.10000E+01 volume  0.13232E-02 ppm1      9.023 ppm2      0.598 CV     1
 OR {  720}
   (( segid " 1SG" and resid 54   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI {  725}
   (( segid " 1SG" and resid 74   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD2%)
      3.300     1.400     1.400 peak   725 spectrum    1 weight  0.10000E+01 volume  0.13190E-02 ppm1      8.471 ppm2      0.409 CV     1
 OR {  725}
   (( segid " 1SG" and resid 74   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI {  728}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (  segid " 1SG" and resid 72   and name HD% )
      3.200     1.300     1.300 peak   728 spectrum    1 weight  0.10000E+01 volume  0.13062E-02 ppm1     10.780 ppm2      7.306 CV     1
 ASSI {  729}
   (( segid " 1SG" and resid 44   and name HN  ))
   (  segid " 1SG" and resid 47   and name HG1%)
      3.900     1.900     1.900 peak   729 spectrum    1 weight  0.10000E+01 volume  0.13018E-02 ppm1      8.212 ppm2      0.992 CV     1
 ASSI {  730}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 107  and name HN  ))
      3.800     1.800     1.800 peak   730 spectrum    1 weight  0.10000E+01 volume  0.12981E-02 ppm1      8.563 ppm2      8.822 CV     1
 ASSI {  731}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (  segid " 1SG" and resid 59   and name HD1%)
      3.800     1.800     1.800 peak   731 spectrum    1 weight  0.10000E+01 volume  0.12974E-02 ppm1     10.780 ppm2      0.855 CV     1
 ASSI {  732}
   (( segid " 1SG" and resid 6    and name HN  ))
   (( segid " 1SG" and resid 7    and name HN  ))
      3.200     1.300     1.300 peak   732 spectrum    1 weight  0.10000E+01 volume  0.12957E-02 ppm1      8.450 ppm2      8.878 CV     1
 ASSI {  733}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 103  and name HB2 ))
      3.800     1.800     1.800 peak   733 spectrum    1 weight  0.10000E+01 volume  0.12946E-02 ppm1      8.794 ppm2      2.502 CV     1
 ASSI {  734}
   (( segid " 1SG" and resid 49   and name HN  ))
   (  segid " 1SG" and resid 49   and name HD2%)
      4.200     2.200     1.800 peak   734 spectrum    1 weight  0.10000E+01 volume  0.12863E-02 ppm1      9.288 ppm2      1.014 CV     1
 ASSI {  735}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (( segid " 1SG" and resid 72   and name HB2 ))
      3.400     1.500     1.500 peak   735 spectrum    1 weight  0.10000E+01 volume  0.12856E-02 ppm1     10.779 ppm2      2.895 CV     1
 ASSI {  736}
   (( segid " 1SG" and resid 19   and name HN  ))
   (( segid " 1SG" and resid 18   and name HB  ))
      4.000     2.000     2.000 peak   736 spectrum    1 weight  0.10000E+01 volume  0.12838E-02 ppm1      9.827 ppm2      1.919 CV     1
 ASSI {  737}
   (( segid " 1SG" and resid 63   and name HN  ))
   (  segid " 1SG" and resid 63   and name HD% )
      3.900     1.900     1.900 peak   737 spectrum    1 weight  0.10000E+01 volume  0.12784E-02 ppm1      8.518 ppm2      5.900 CV     1
 ASSI {  742}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 15   and name HG2 ))
      4.300     2.400     1.700 peak   742 spectrum    1 weight  0.10000E+01 volume  0.12682E-02 ppm1      8.593 ppm2      2.271 CV     1
 OR {  742}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 15   and name HG1 ))
 ASSI {  745}
   (( segid " 1SG" and resid 53   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
      3.200     1.300     1.300 peak   745 spectrum    1 weight  0.10000E+01 volume  0.12559E-02 ppm1      6.764 ppm2      0.597 CV     1
 OR {  745}
   (( segid " 1SG" and resid 53   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI {  746}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 3    and name HB2 ))
      4.200     2.200     1.800 peak   746 spectrum    1 weight  0.10000E+01 volume  0.12552E-02 ppm1      8.263 ppm2      2.285 CV     1
 OR {  746}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 3    and name HB1 ))
 ASSI {  747}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 49   and name HA  ))
      3.200     1.200     1.200 peak   747 spectrum    1 weight  0.10000E+01 volume  0.12543E-02 ppm1      7.785 ppm2      3.862 CV     1
 ASSI {  748}
   (( segid " 1SG" and resid 73   and name HN  ))
   (  segid " 1SG" and resid 72   and name HD% )
      4.100     2.100     1.900 peak   748 spectrum    1 weight  0.10000E+01 volume  0.12543E-02 ppm1      9.449 ppm2      7.306 CV     1
 ASSI {  751}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 18   and name HN  ))
      3.600     1.600     1.600 peak   751 spectrum    1 weight  0.10000E+01 volume  0.12499E-02 ppm1      8.821 ppm2      8.005 CV     1
 ASSI {  753}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 25   and name HA  ))
      3.100     1.200     1.200 peak   753 spectrum    1 weight  0.10000E+01 volume  0.12454E-02 ppm1      8.399 ppm2      5.688 CV     1
 ASSI {  754}
   (( segid " 1SG" and resid 31   and name HN  ))
   (( segid " 1SG" and resid 31   and name HA  ))
      3.100     1.200     1.200 peak   754 spectrum    1 weight  0.10000E+01 volume  0.12450E-02 ppm1      8.418 ppm2      4.164 CV     1
 ASSI {  755}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 22   and name HB  ))
      3.100     1.200     1.200 peak   755 spectrum    1 weight  0.10000E+01 volume  0.12439E-02 ppm1      8.887 ppm2      1.514 CV     1
 ASSI {  758}
   (( segid " 1SG" and resid 57   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
      4.000     2.000     2.000 peak   758 spectrum    1 weight  0.10000E+01 volume  0.12407E-02 ppm1      7.199 ppm2      0.601 CV     1
 OR {  758}
   (( segid " 1SG" and resid 57   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI {  759}
   (( segid " 1SG" and resid 83   and name HN  ))
   (  segid " 1SG" and resid 104  and name HD2%)
      4.200     2.200     1.800 peak   759 spectrum    1 weight  0.10000E+01 volume  0.12376E-02 ppm1      8.256 ppm2      0.808 CV     1
 ASSI {  760}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 9    and name HB2 ))
      3.600     1.600     1.600 peak   760 spectrum    1 weight  0.10000E+01 volume  0.12344E-02 ppm1      8.888 ppm2      1.892 CV     1
 ASSI {  762}
   (( segid " 1SG" and resid 68   and name HN  ))
   (  segid " 1SG" and resid 66   and name HB% )
      2.800     2.800     3.200 peak   762 spectrum    1 weight  0.10000E+01 volume  0.12262E-02 ppm1      7.875 ppm2      1.403 CV     1
 ASSI {  764}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 74   and name HB2 ))
      2.800     1.000     1.000 peak   764 spectrum    1 weight  0.10000E+01 volume  0.12226E-02 ppm1      8.470 ppm2     -0.840 CV     1
 ASSI {  765}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 8    and name HA  ))
      3.600     1.600     1.600 peak   765 spectrum    1 weight  0.10000E+01 volume  0.12225E-02 ppm1      7.888 ppm2      4.174 CV     1
 ASSI {  767}
   (( segid " 1SG" and resid 91   and name HN  ))
   (( segid " 1SG" and resid 91   and name HB  ))
      3.400     1.400     1.400 peak   767 spectrum    1 weight  0.10000E+01 volume  0.12158E-02 ppm1      8.474 ppm2      1.131 CV     1
 ASSI {  770}
   (( segid " 1SG" and resid 102  and name HN  ))
   (( segid " 1SG" and resid 88   and name HA  ))
      3.500     1.600     1.600 peak   770 spectrum    1 weight  0.10000E+01 volume  0.12076E-02 ppm1      8.557 ppm2      5.305 CV     1
 ASSI {  771}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 57   and name HG  ))
      4.300     2.300     1.700 peak   771 spectrum    1 weight  0.10000E+01 volume  0.12070E-02 ppm1      7.198 ppm2      0.750 CV     1
 ASSI {  772}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 73   and name HA  ))
      3.100     1.200     1.200 peak   772 spectrum    1 weight  0.10000E+01 volume  0.12068E-02 ppm1      9.448 ppm2      5.466 CV     1
 ASSI {  773}
   (( segid " 1SG" and resid 6    and name HN  ))
   (( segid " 1SG" and resid 6    and name HA  ))
      3.100     1.200     1.200 peak   773 spectrum    1 weight  0.10000E+01 volume  0.12053E-02 ppm1      8.450 ppm2      4.448 CV     1
 ASSI {  774}
   (( segid " 1SG" and resid 12   and name HE21))
   (( segid " 1SG" and resid 12   and name HA  ))
      3.000     1.100     1.100 peak   774 spectrum    1 weight  0.10000E+01 volume  0.12052E-02 ppm1      7.451 ppm2      4.687 CV     1
 ASSI {  775}
   (( segid " 1SG" and resid 10   and name HN  ))
   (( segid " 1SG" and resid 10   and name HB2 ))
      3.500     1.600     1.600 peak   775 spectrum    1 weight  0.10000E+01 volume  0.12036E-02 ppm1      8.853 ppm2      1.250 CV     1
 ASSI {  776}
   (( segid " 1SG" and resid 102  and name HN  ))
   (( segid " 1SG" and resid 87   and name HN  ))
      3.100     1.200     1.200 peak   776 spectrum    1 weight  0.10000E+01 volume  0.12021E-02 ppm1      8.557 ppm2      9.117 CV     1
 ASSI {  777}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 94   and name HG2 ))
      3.500     1.600     1.600 peak   777 spectrum    1 weight  0.10000E+01 volume  0.12007E-02 ppm1      7.971 ppm2      1.402 CV     1
 OR {  777}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 94   and name HG1 ))
 ASSI {  778}
   (( segid " 1SG" and resid 75   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
      3.400     1.500     1.500 peak   778 spectrum    1 weight  0.10000E+01 volume  0.11989E-02 ppm1      9.152 ppm2      0.609 CV     1
 OR {  778}
   (( segid " 1SG" and resid 75   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI {  779}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 49   and name HA  ))
      3.100     1.200     1.200 peak   779 spectrum    1 weight  0.10000E+01 volume  0.11965E-02 ppm1      9.288 ppm2      3.859 CV     1
 ASSI {  782}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 76   and name HG12))
      4.000     2.000     2.000 peak   782 spectrum    1 weight  0.10000E+01 volume  0.11940E-02 ppm1      7.440 ppm2      1.105 CV     1
 ASSI {  783}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 56   and name HB2 ))
      3.700     1.700     1.700 peak   783 spectrum    1 weight  0.10000E+01 volume  0.11938E-02 ppm1      7.198 ppm2      3.101 CV     1
 ASSI {  790}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 104  and name HA  ))
      3.100     1.200     1.200 peak   790 spectrum    1 weight  0.10000E+01 volume  0.11811E-02 ppm1      8.792 ppm2      5.431 CV     1
 ASSI {  791}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 53   and name HN  ))
      3.800     1.800     1.800 peak   791 spectrum    1 weight  0.10000E+01 volume  0.11801E-02 ppm1      9.018 ppm2      6.764 CV     1
 ASSI {  792}
   (( segid " 1SG" and resid 104  and name HN  ))
   (  segid " 1SG" and resid 87   and name HE% )
      3.500     1.500     1.500 peak   792 spectrum    1 weight  0.10000E+01 volume  0.11790E-02 ppm1      8.791 ppm2      6.590 CV     1
 ASSI {  794}
   (( segid " 1SG" and resid 84   and name HN  ))
   (( segid " 1SG" and resid 85   and name HN  ))
      3.300     1.400     1.400 peak   794 spectrum    1 weight  0.10000E+01 volume  0.11762E-02 ppm1      7.865 ppm2      9.407 CV     1
 ASSI {  799}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (  segid " 1SG" and resid 39   and name HG2%)
      3.800     1.800     1.800 peak   799 spectrum    1 weight  0.10000E+01 volume  0.11650E-02 ppm1     10.779 ppm2     -0.462 CV     1
 ASSI {  802}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 103  and name HA  ))
      3.100     1.200     1.200 peak   802 spectrum    1 weight  0.10000E+01 volume  0.11584E-02 ppm1      9.242 ppm2      5.536 CV     1
 ASSI {  803}
   (( segid " 1SG" and resid 8    and name HN  ))
   (( segid " 1SG" and resid 8    and name HA  ))
      3.300     1.400     1.400 peak   803 spectrum    1 weight  0.10000E+01 volume  0.11524E-02 ppm1      9.052 ppm2      4.174 CV     1
 ASSI {  805}
   (( segid " 1SG" and resid 30   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG2%)
      4.200     2.200     1.800 peak   805 spectrum    1 weight  0.10000E+01 volume  0.11496E-02 ppm1      8.593 ppm2      0.934 CV     1
 OR {  805}
   (( segid " 1SG" and resid 30   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG1%)
 ASSI {  807}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 57   and name HG  ))
      4.100     2.100     1.900 peak   807 spectrum    1 weight  0.10000E+01 volume  0.11423E-02 ppm1      8.941 ppm2      0.750 CV     1
 ASSI {  808}
   (( segid " 1SG" and resid 80   and name HE22))
   (  segid " 1SG" and resid 18   and name HG1%)
      4.900     3.000     1.100 peak   808 spectrum    1 weight  0.10000E+01 volume  0.11417E-02 ppm1      6.644 ppm2      0.986 CV     1
 ASSI {  810}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 59   and name HA  ))
      3.800     1.800     1.800 peak   810 spectrum    1 weight  0.10000E+01 volume  0.11363E-02 ppm1      9.150 ppm2      5.181 CV     1
 ASSI {  811}
   (( segid " 1SG" and resid 93   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.300     1.300     1.300 peak   811 spectrum    1 weight  0.10000E+01 volume  0.11350E-02 ppm1      8.558 ppm2      0.475 CV     1
 ASSI {  812}
   (( segid " 1SG" and resid 19   and name HN  ))
   (( segid " 1SG" and resid 78   and name HA  ))
      3.300     1.300     1.300 peak   812 spectrum    1 weight  0.10000E+01 volume  0.11344E-02 ppm1      9.829 ppm2      4.106 CV     1
 ASSI {  813}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 38   and name HB  ))
      3.300     1.400     1.400 peak   813 spectrum    1 weight  0.10000E+01 volume  0.11329E-02 ppm1      8.735 ppm2      1.891 CV     1
 ASSI {  814}
   (( segid " 1SG" and resid 43   and name HN  ))
   (  segid " 1SG" and resid 49   and name HD1%)
      3.500     1.500     1.500 peak   814 spectrum    1 weight  0.10000E+01 volume  0.11327E-02 ppm1      8.631 ppm2      1.759 CV     1
 ASSI {  815}
   (( segid " 1SG" and resid 6    and name HN  ))
   (( segid " 1SG" and resid 5    and name HA1 ))
      3.500     1.500     1.500 peak   815 spectrum    1 weight  0.10000E+01 volume  0.11315E-02 ppm1      8.450 ppm2      3.861 CV     1
 OR {  815}
   (( segid " 1SG" and resid 6    and name HN  ))
   (( segid " 1SG" and resid 5    and name HA2 ))
 ASSI {  816}
   (( segid " 1SG" and resid 26   and name HN  ))
   (( segid " 1SG" and resid 72   and name HN  ))
      3.200     1.300     1.300 peak   816 spectrum    1 weight  0.10000E+01 volume  0.11300E-02 ppm1      9.497 ppm2      9.294 CV     1
 ASSI {  817}
   (( segid " 1SG" and resid 46   and name HN  ))
   (( segid " 1SG" and resid 45   and name HA  ))
      3.300     1.400     1.400 peak   817 spectrum    1 weight  0.10000E+01 volume  0.11298E-02 ppm1      8.215 ppm2      3.494 CV     1
 ASSI {  819}
   (( segid " 1SG" and resid 47   and name HN  ))
   (  segid " 1SG" and resid 42   and name HD% )
      3.500     1.500     1.500 peak   819 spectrum    1 weight  0.10000E+01 volume  0.11277E-02 ppm1      7.293 ppm2      6.695 CV     1
 ASSI {  820}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 49   and name HB2 ))
      2.900     1.000     1.000 peak   820 spectrum    1 weight  0.10000E+01 volume  0.11254E-02 ppm1      9.288 ppm2      1.557 CV     1
 ASSI {  822}
   (( segid " 1SG" and resid 29   and name HN  ))
   (( segid " 1SG" and resid 7    and name HA  ))
      3.900     1.900     1.900 peak   822 spectrum    1 weight  0.10000E+01 volume  0.11173E-02 ppm1      8.855 ppm2      4.626 CV     1
 ASSI {  823}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 74   and name HN  ))
      3.400     1.400     1.400 peak   823 spectrum    1 weight  0.10000E+01 volume  0.11170E-02 ppm1      9.240 ppm2      8.469 CV     1
 ASSI {  825}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 40   and name HG2 ))
      4.400     2.500     1.600 peak   825 spectrum    1 weight  0.10000E+01 volume  0.11158E-02 ppm1      9.308 ppm2      1.241 CV     1
 OR {  825}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 40   and name HG1 ))
 ASSI {  828}
   (( segid " 1SG" and resid 58   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD1%)
      4.200     2.200     1.800 peak   828 spectrum    1 weight  0.10000E+01 volume  0.11124E-02 ppm1      8.945 ppm2      0.402 CV     1
 OR {  828}
   (( segid " 1SG" and resid 58   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD2%)
 ASSI {  829}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 42   and name HA  ))
      3.300     1.400     1.400 peak   829 spectrum    1 weight  0.10000E+01 volume  0.11113E-02 ppm1      9.289 ppm2      5.784 CV     1
 ASSI {  830}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 78   and name HB2 ))
      4.200     2.200     1.800 peak   830 spectrum    1 weight  0.10000E+01 volume  0.11083E-02 ppm1      8.973 ppm2      2.375 CV     1
 ASSI {  831}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB1 ))
      4.100     2.100     1.900 peak   831 spectrum    1 weight  0.10000E+01 volume  0.11083E-02 ppm1      8.941 ppm2      1.687 CV     1
 OR {  831}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB2 ))
 ASSI {  832}
   (( segid " 1SG" and resid 70   and name HN  ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      3.100     1.200     1.200 peak   832 spectrum    1 weight  0.10000E+01 volume  0.11074E-02 ppm1      9.273 ppm2      2.816 CV     1
 ASSI {  833}
   (( segid " 1SG" and resid 87   and name HN  ))
   (( segid " 1SG" and resid 87   and name HB2 ))
      3.200     1.300     1.300 peak   833 spectrum    1 weight  0.10000E+01 volume  0.11047E-02 ppm1      9.112 ppm2      0.700 CV     1
 ASSI {  838}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 64   and name HB2 ))
      4.300     2.300     1.700 peak   838 spectrum    1 weight  0.10000E+01 volume  0.10989E-02 ppm1      8.307 ppm2      2.338 CV     1
 ASSI {  839}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 90   and name HN  ))
      3.200     1.300     1.300 peak   839 spectrum    1 weight  0.10000E+01 volume  0.10977E-02 ppm1      8.694 ppm2      9.477 CV     1
 ASSI {  840}
   (( segid " 1SG" and resid 92   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG2%)
      4.300     2.300     1.700 peak   840 spectrum    1 weight  0.10000E+01 volume  0.10966E-02 ppm1      8.735 ppm2     -0.459 CV     1
 ASSI {  843}
   (( segid " 1SG" and resid 7    and name HN  ))
   (( segid " 1SG" and resid 7    and name HB2 ))
      3.000     1.100     1.100 peak   843 spectrum    1 weight  0.10000E+01 volume  0.10922E-02 ppm1      8.878 ppm2      2.581 CV     1
 ASSI {  844}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 69   and name HN  ))
      3.900     1.900     1.900 peak   844 spectrum    1 weight  0.10000E+01 volume  0.10909E-02 ppm1      7.422 ppm2      6.897 CV     1
 ASSI {  847}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 4    and name HN  ))
      3.700     1.700     1.700 peak   847 spectrum    1 weight  0.10000E+01 volume  0.10862E-02 ppm1      8.112 ppm2      8.269 CV     1
 ASSI {  848}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 39   and name HB  ))
      3.900     1.900     1.900 peak   848 spectrum    1 weight  0.10000E+01 volume  0.10832E-02 ppm1      8.696 ppm2      0.582 CV     1
 ASSI {  852}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 71   and name HA  ))
      3.100     1.200     1.200 peak   852 spectrum    1 weight  0.10000E+01 volume  0.10739E-02 ppm1      8.722 ppm2      5.068 CV     1
 ASSI {  853}
   (( segid " 1SG" and resid 31   and name HN  ))
   (( segid " 1SG" and resid 30   and name HN  ))
      3.200     1.300     1.300 peak   853 spectrum    1 weight  0.10000E+01 volume  0.10736E-02 ppm1      8.414 ppm2      8.590 CV     1
 ASSI {  854}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 80   and name HN  ))
      4.200     2.300     1.800 peak   854 spectrum    1 weight  0.10000E+01 volume  0.10728E-02 ppm1      8.971 ppm2      5.576 CV     1
 ASSI {  859}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 41   and name HA  ))
      3.200     1.300     1.300 peak   859 spectrum    1 weight  0.10000E+01 volume  0.10644E-02 ppm1      9.309 ppm2      5.470 CV     1
 ASSI {  860}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 73   and name HB2 ))
      3.600     1.600     1.600 peak   860 spectrum    1 weight  0.10000E+01 volume  0.10620E-02 ppm1      9.449 ppm2      1.556 CV     1
 ASSI {  861}
   (( segid " 1SG" and resid 20   and name HN  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      3.800     1.800     1.800 peak   861 spectrum    1 weight  0.10000E+01 volume  0.10609E-02 ppm1      8.825 ppm2      1.280 CV     1
 ASSI {  863}
   (( segid " 1SG" and resid 16   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      4.000     2.000     2.000 peak   863 spectrum    1 weight  0.10000E+01 volume  0.10591E-02 ppm1      8.593 ppm2      0.375 CV     1
 ASSI {  864}
   (( segid " 1SG" and resid 26   and name HN  ))
   (( segid " 1SG" and resid 73   and name HA  ))
      3.700     1.700     1.700 peak   864 spectrum    1 weight  0.10000E+01 volume  0.10568E-02 ppm1      9.497 ppm2      5.471 CV     1
 ASSI {  865}
   (( segid " 1SG" and resid 46   and name HN  ))
   (  segid " 1SG" and resid 47   and name HG1%)
      4.300     2.300     1.700 peak   865 spectrum    1 weight  0.10000E+01 volume  0.10563E-02 ppm1      8.216 ppm2      0.967 CV     1
 ASSI {  866}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 46   and name HA  ))
      3.700     1.700     1.700 peak   866 spectrum    1 weight  0.10000E+01 volume  0.10548E-02 ppm1      7.291 ppm2      4.989 CV     1
 ASSI {  872}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 52   and name HB2 ))
      2.700     0.900     0.900 peak   872 spectrum    1 weight  0.10000E+01 volume  0.10489E-02 ppm1      6.764 ppm2      1.716 CV     1
 ASSI {  873}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 76   and name HG12))
      4.200     2.200     1.800 peak   873 spectrum    1 weight  0.10000E+01 volume  0.10479E-02 ppm1      7.198 ppm2      1.092 CV     1
 ASSI {  874}
   (( segid " 1SG" and resid 71   and name HN  ))
   (  segid " 1SG" and resid 63   and name HD% )
      2.800     2.800     3.200 peak   874 spectrum    1 weight  0.10000E+01 volume  0.10454E-02 ppm1      8.724 ppm2      5.900 CV     1
 ASSI {  875}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 104  and name HB2 ))
      3.800     1.800     1.800 peak   875 spectrum    1 weight  0.10000E+01 volume  0.10447E-02 ppm1      8.793 ppm2      1.229 CV     1
 ASSI {  877}
   (( segid " 1SG" and resid 24   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD2%)
      4.400     2.400     1.600 peak   877 spectrum    1 weight  0.10000E+01 volume  0.10420E-02 ppm1      9.239 ppm2      0.410 CV     1
 OR {  877}
   (( segid " 1SG" and resid 24   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI {  879}
   (( segid " 1SG" and resid 96   and name HN  ))
   (  segid " 1SG" and resid 93   and name HG2%)
      2.800     2.800     3.200 peak   879 spectrum    1 weight  0.10000E+01 volume  0.10392E-02 ppm1      7.548 ppm2      1.025 CV     1
 ASSI {  880}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 78   and name HA  ))
      3.500     1.600     1.600 peak   880 spectrum    1 weight  0.10000E+01 volume  0.10383E-02 ppm1      8.826 ppm2      4.088 CV     1
 ASSI {  881}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 41   and name HB2 ))
      3.000     1.100     1.100 peak   881 spectrum    1 weight  0.10000E+01 volume  0.10375E-02 ppm1      9.312 ppm2      3.155 CV     1
 ASSI {  885}
   (( segid " 1SG" and resid 86   and name HN  ))
   (( segid " 1SG" and resid 87   and name HN  ))
      3.400     1.400     1.400 peak   885 spectrum    1 weight  0.10000E+01 volume  0.10315E-02 ppm1      7.947 ppm2      9.112 CV     1
 ASSI {  886}
   (( segid " 1SG" and resid 24   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
      4.600     2.700     1.400 peak   886 spectrum    1 weight  0.10000E+01 volume  0.10308E-02 ppm1      9.239 ppm2      0.619 CV     1
 OR {  886}
   (( segid " 1SG" and resid 24   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI {  888}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 105  and name HA  ))
      3.200     1.300     1.300 peak   888 spectrum    1 weight  0.10000E+01 volume  0.10290E-02 ppm1      8.397 ppm2      4.536 CV     1
 ASSI {  889}
   (( segid " 1SG" and resid 58   and name HE22))
   (  segid " 1SG" and resid 77   and name HG2%)
      3.500     1.500     1.500 peak   889 spectrum    1 weight  0.10000E+01 volume  0.10260E-02 ppm1      6.684 ppm2      1.034 CV     1
 ASSI {  890}
   (( segid " 1SG" and resid 58   and name HN  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      4.100     2.100     1.900 peak   890 spectrum    1 weight  0.10000E+01 volume  0.10251E-02 ppm1      8.939 ppm2      1.056 CV     1
 ASSI {  891}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 38   and name HN  ))
      3.900     1.900     1.900 peak   891 spectrum    1 weight  0.10000E+01 volume  0.10239E-02 ppm1      7.893 ppm2      8.374 CV     1
 ASSI {  892}
   (( segid " 1SG" and resid 14   and name HN  ))
   (  segid " 1SG" and resid 22   and name HD1%)
      4.200     2.200     1.800 peak   892 spectrum    1 weight  0.10000E+01 volume  0.10235E-02 ppm1      9.186 ppm2      0.528 CV     1
 ASSI {  894}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 28   and name HA  ))
      3.300     1.300     1.300 peak   894 spectrum    1 weight  0.10000E+01 volume  0.10208E-02 ppm1      9.673 ppm2      4.901 CV     1
 ASSI {  896}
   (( segid " 1SG" and resid 98   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.600     1.600     1.600 peak   896 spectrum    1 weight  0.10000E+01 volume  0.10204E-02 ppm1      8.417 ppm2      0.476 CV     1
 ASSI {  897}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 45   and name HA  ))
      4.500     2.500     1.500 peak   897 spectrum    1 weight  0.10000E+01 volume  0.10200E-02 ppm1      7.291 ppm2      3.498 CV     1
 ASSI {  899}
   (( segid " 1SG" and resid 80   and name HE21))
   (  segid " 1SG" and resid 18   and name HG1%)
      4.300     2.300     1.700 peak   899 spectrum    1 weight  0.10000E+01 volume  0.10190E-02 ppm1      6.984 ppm2      0.990 CV     1
 ASSI {  900}
   (( segid " 1SG" and resid 85   and name HN  ))
   (  segid " 1SG" and resid 87   and name HE% )
      4.000     2.000     2.000 peak   900 spectrum    1 weight  0.10000E+01 volume  0.10184E-02 ppm1      9.408 ppm2      6.590 CV     1
 ASSI {  902}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 14   and name HN  ))
      4.000     2.000     2.000 peak   902 spectrum    1 weight  0.10000E+01 volume  0.10174E-02 ppm1      8.503 ppm2      9.185 CV     1
 ASSI {  905}
   (( segid " 1SG" and resid 8    and name HN  ))
   (( segid " 1SG" and resid 28   and name HA  ))
      3.300     1.400     1.400 peak   905 spectrum    1 weight  0.10000E+01 volume  0.10142E-02 ppm1      9.051 ppm2      4.900 CV     1
 ASSI {  906}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 61   and name HN  ))
      4.100     2.100     1.900 peak   906 spectrum    1 weight  0.10000E+01 volume  0.10131E-02 ppm1      8.846 ppm2      8.182 CV     1
 ASSI {  911}
   (( segid " 1SG" and resid 7    and name HN  ))
   (( segid " 1SG" and resid 7    and name HA  ))
      3.400     1.400     1.400 peak   911 spectrum    1 weight  0.10000E+01 volume  0.10057E-02 ppm1      8.874 ppm2      4.632 CV     1
 ASSI {  913}
   (( segid " 1SG" and resid 100  and name HN  ))
   (( segid " 1SG" and resid 90   and name HB2 ))
      2.900     2.900     3.100 peak   913 spectrum    1 weight  0.10000E+01 volume  0.10027E-02 ppm1      8.888 ppm2      2.040 CV     1
 ASSI {  914}
   (( segid " 1SG" and resid 100  and name HN  ))
   (( segid " 1SG" and resid 99   and name HB2 ))
      3.500     1.500     1.500 peak   914 spectrum    1 weight  0.10000E+01 volume  0.10002E-02 ppm1      8.896 ppm2      2.735 CV     1
 ASSI {  915}
   (( segid " 1SG" and resid 68   and name HN  ))
   (( segid " 1SG" and resid 67   and name HB2 ))
      4.000     2.000     2.000 peak   915 spectrum    1 weight  0.10000E+01 volume  0.99756E-03 ppm1      7.872 ppm2      3.727 CV     1
 OR {  915}
   (( segid " 1SG" and resid 68   and name HN  ))
   (( segid " 1SG" and resid 67   and name HB1 ))
 ASSI {  916}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 36   and name HD2 ))
      4.300     2.400     1.700 peak   916 spectrum    1 weight  0.10000E+01 volume  0.99599E-03 ppm1      7.511 ppm2      3.495 CV     1
 ASSI {  919}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 103  and name HD22))
      3.600     1.700     1.700 peak   919 spectrum    1 weight  0.10000E+01 volume  0.99259E-03 ppm1      9.241 ppm2      6.759 CV     1
 ASSI {  920}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 16   and name HN  ))
      4.000     2.000     2.000 peak   920 spectrum    1 weight  0.10000E+01 volume  0.99240E-03 ppm1      8.401 ppm2      8.591 CV     1
 ASSI {  922}
   (( segid " 1SG" and resid 84   and name HN  ))
   (( segid " 1SG" and resid 106  and name HB  ))
      4.200     2.200     1.800 peak   922 spectrum    1 weight  0.10000E+01 volume  0.98998E-03 ppm1      7.867 ppm2      1.848 CV     1
 ASSI {  929}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 62   and name HB2 ))
      3.300     1.400     1.400 peak   929 spectrum    1 weight  0.10000E+01 volume  0.98409E-03 ppm1      8.847 ppm2      3.809 CV     1
 ASSI {  930}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 43   and name HN  ))
      3.400     1.400     1.400 peak   930 spectrum    1 weight  0.10000E+01 volume  0.98317E-03 ppm1      7.291 ppm2      8.632 CV     1
 ASSI {  931}
   (( segid " 1SG" and resid 59   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
      3.500     1.500     1.500 peak   931 spectrum    1 weight  0.10000E+01 volume  0.98291E-03 ppm1      8.380 ppm2      0.601 CV     1
 OR {  931}
   (( segid " 1SG" and resid 59   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI {  939}
   (( segid " 1SG" and resid 84   and name HN  ))
   (( segid " 1SG" and resid 81   and name HA  ))
      4.900     3.000     1.100 peak   939 spectrum    1 weight  0.10000E+01 volume  0.97526E-03 ppm1      7.866 ppm2      3.996 CV     1
 ASSI {  940}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 96   and name HG1 ))
      3.200     1.300     1.300 peak   940 spectrum    1 weight  0.10000E+01 volume  0.97519E-03 ppm1      8.106 ppm2      1.324 CV     1
 OR {  940}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 96   and name HG2 ))
 ASSI {  941}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 25   and name HA  ))
      3.600     1.600     1.600 peak   941 spectrum    1 weight  0.10000E+01 volume  0.97441E-03 ppm1      8.472 ppm2      5.686 CV     1
 ASSI {  943}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 43   and name HG2 ))
      3.400     1.500     1.500 peak   943 spectrum    1 weight  0.10000E+01 volume  0.96878E-03 ppm1      8.211 ppm2      0.071 CV     1
 ASSI {  944}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 59   and name HN  ))
      3.700     1.700     1.700 peak   944 spectrum    1 weight  0.10000E+01 volume  0.96309E-03 ppm1      8.685 ppm2      8.389 CV     1
 ASSI {  946}
   (( segid " 1SG" and resid 90   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG2%)
      4.400     2.400     1.600 peak   946 spectrum    1 weight  0.10000E+01 volume  0.95687E-03 ppm1      9.489 ppm2     -0.473 CV     1
 ASSI {  947}
   (( segid " 1SG" and resid 23   and name HN  ))
   (( segid " 1SG" and resid 22   and name HN  ))
      3.900     1.900     1.900 peak   947 spectrum    1 weight  0.10000E+01 volume  0.95472E-03 ppm1      7.911 ppm2      8.899 CV     1
 ASSI {  951}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 73   and name HB2 ))
      3.900     1.900     1.900 peak   951 spectrum    1 weight  0.10000E+01 volume  0.94942E-03 ppm1      8.467 ppm2      1.552 CV     1
 ASSI {  952}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 72   and name HB2 ))
      4.000     2.000     2.000 peak   952 spectrum    1 weight  0.10000E+01 volume  0.94830E-03 ppm1      8.896 ppm2      2.884 CV     1
 ASSI {  953}
   (( segid " 1SG" and resid 82   and name HN  ))
   (( segid " 1SG" and resid 82   and name HA  ))
      3.500     1.500     1.500 peak   953 spectrum    1 weight  0.10000E+01 volume  0.94785E-03 ppm1      8.017 ppm2      4.202 CV     1
 ASSI {  955}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 91   and name HB  ))
      4.100     2.100     1.900 peak   955 spectrum    1 weight  0.10000E+01 volume  0.94680E-03 ppm1      8.733 ppm2      1.128 CV     1
 ASSI {  958}
   (( segid " 1SG" and resid 18   and name HN  ))
   (( segid " 1SG" and resid 19   and name HN  ))
      4.000     2.000     2.000 peak   958 spectrum    1 weight  0.10000E+01 volume  0.94117E-03 ppm1      8.005 ppm2      9.828 CV     1
 ASSI {  963}
   (( segid " 1SG" and resid 72   and name HN  ))
   (( segid " 1SG" and resid 72   and name HA  ))
      3.100     1.200     1.200 peak   963 spectrum    1 weight  0.10000E+01 volume  0.93659E-03 ppm1      9.295 ppm2      5.368 CV     1
 ASSI {  964}
   (( segid " 1SG" and resid 87   and name HN  ))
   (( segid " 1SG" and resid 87   and name HA  ))
      3.300     1.400     1.400 peak   964 spectrum    1 weight  0.10000E+01 volume  0.93522E-03 ppm1      9.110 ppm2      4.975 CV     1
 ASSI {  967}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 17   and name HN  ))
      4.100     2.100     1.900 peak   967 spectrum    1 weight  0.10000E+01 volume  0.93169E-03 ppm1      8.592 ppm2      7.900 CV     1
 ASSI {  968}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 40   and name HN  ))
      4.000     2.000     2.000 peak   968 spectrum    1 weight  0.10000E+01 volume  0.92927E-03 ppm1      7.893 ppm2      8.706 CV     1
 ASSI {  971}
   (( segid " 1SG" and resid 33   and name HN  ))
   (  segid " 1SG" and resid 33   and name HD2%)
      3.800     1.800     1.800 peak   971 spectrum    1 weight  0.10000E+01 volume  0.92645E-03 ppm1      7.611 ppm2      0.876 CV     1
 OR {  971}
   (( segid " 1SG" and resid 33   and name HN  ))
   (  segid " 1SG" and resid 33   and name HD1%)
 ASSI {  972}
   (( segid " 1SG" and resid 72   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD2%)
      4.200     2.200     1.800 peak   972 spectrum    1 weight  0.10000E+01 volume  0.92619E-03 ppm1      9.295 ppm2      0.738 CV     1
 ASSI {  973}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 104  and name HG  ))
      3.400     1.500     1.500 peak   973 spectrum    1 weight  0.10000E+01 volume  0.92587E-03 ppm1      8.401 ppm2      1.329 CV     1
 ASSI {  975}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 42   and name HN  ))
      3.300     1.400     1.400 peak   975 spectrum    1 weight  0.10000E+01 volume  0.92358E-03 ppm1      9.108 ppm2      9.450 CV     1
 ASSI {  976}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 74   and name HB2 ))
      4.100     2.100     1.900 peak   976 spectrum    1 weight  0.10000E+01 volume  0.92194E-03 ppm1      9.150 ppm2     -0.838 CV     1
 ASSI {  977}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 87   and name HB2 ))
      4.100     2.100     1.900 peak   977 spectrum    1 weight  0.10000E+01 volume  0.91717E-03 ppm1      9.107 ppm2      0.710 CV     1
 ASSI {  979}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 46   and name HB2 ))
      3.800     1.800     1.800 peak   979 spectrum    1 weight  0.10000E+01 volume  0.91278E-03 ppm1      7.292 ppm2      3.055 CV     1
 ASSI {  980}
   (( segid " 1SG" and resid 10   and name HN  ))
   (( segid " 1SG" and resid 9    and name HG2 ))
      3.800     1.800     1.800 peak   980 spectrum    1 weight  0.10000E+01 volume  0.91259E-03 ppm1      8.851 ppm2      2.507 CV     1
 ASSI {  984}
   (( segid " 1SG" and resid 107  and name HN  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      4.300     2.400     1.700 peak   984 spectrum    1 weight  0.10000E+01 volume  0.90565E-03 ppm1      8.820 ppm2      1.285 CV     1
 ASSI {  990}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 77   and name HN  ))
      4.000     2.000     2.000 peak   990 spectrum    1 weight  0.10000E+01 volume  0.89937E-03 ppm1      8.053 ppm2      8.718 CV     1
 ASSI {  991}
   (( segid " 1SG" and resid 97   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.800     1.800     1.800 peak   991 spectrum    1 weight  0.10000E+01 volume  0.89898E-03 ppm1      8.063 ppm2      0.474 CV     1
 ASSI {  992}
   (( segid " 1SG" and resid 90   and name HN  ))
   (( segid " 1SG" and resid 90   and name HB2 ))
      3.500     1.500     1.500 peak   992 spectrum    1 weight  0.10000E+01 volume  0.89865E-03 ppm1      9.489 ppm2      2.034 CV     1
 ASSI {  994}
   (( segid " 1SG" and resid 22   and name HN  ))
   (  segid " 1SG" and resid 77   and name HG2%)
      3.900     1.900     1.900 peak   994 spectrum    1 weight  0.10000E+01 volume  0.89623E-03 ppm1      8.888 ppm2      1.018 CV     1
 ASSI {  996}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 43   and name HB2 ))
      3.500     1.500     1.500 peak   996 spectrum    1 weight  0.10000E+01 volume  0.89473E-03 ppm1      8.628 ppm2      1.216 CV     1
 ASSI {  997}
   (( segid " 1SG" and resid 20   and name HN  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      3.600     1.600     1.600 peak   997 spectrum    1 weight  0.10000E+01 volume  0.89381E-03 ppm1      8.825 ppm2      0.602 CV     1
 ASSI {  998}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 18   and name HA  ))
      3.900     1.900     1.900 peak   998 spectrum    1 weight  0.10000E+01 volume  0.88753E-03 ppm1      8.973 ppm2      3.481 CV     1
 ASSI { 1001}
   (( segid " 1SG" and resid 28   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG2%)
      3.800     1.800     1.800 peak  1001 spectrum    1 weight  0.10000E+01 volume  0.88439E-03 ppm1      9.673 ppm2      0.941 CV     1
 OR { 1001}
   (( segid " 1SG" and resid 28   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG1%)
 ASSI { 1002}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 2    and name HA  ))
      3.800     1.800     1.800 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.88302E-03 ppm1      8.264 ppm2      4.901 CV     1
 ASSI { 1003}
   (( segid " 1SG" and resid 105  and name HN  ))
   (  segid " 1SG" and resid 104  and name HD2%)
      4.300     2.300     1.700 peak  1003 spectrum    1 weight  0.10000E+01 volume  0.87602E-03 ppm1      8.399 ppm2      0.818 CV     1
 ASSI { 1004}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 57   and name HG  ))
      3.900     1.900     1.900 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.87536E-03 ppm1      6.764 ppm2      0.753 CV     1
 ASSI { 1008}
   (( segid " 1SG" and resid 78   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      4.200     2.200     1.800 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.87281E-03 ppm1      8.053 ppm2      1.176 CV     1
 ASSI { 1009}
   (( segid " 1SG" and resid 27   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG2%)
      4.300     2.300     1.700 peak  1009 spectrum    1 weight  0.10000E+01 volume  0.87268E-03 ppm1      8.893 ppm2      0.948 CV     1
 OR { 1009}
   (( segid " 1SG" and resid 27   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG1%)
 ASSI { 1010}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 61   and name HN  ))
      4.500     2.500     1.500 peak  1010 spectrum    1 weight  0.10000E+01 volume  0.87262E-03 ppm1      8.686 ppm2      8.184 CV     1
 ASSI { 1013}
   (( segid " 1SG" and resid 46   and name HN  ))
   (( segid " 1SG" and resid 46   and name HA  ))
      3.400     1.500     1.500 peak  1013 spectrum    1 weight  0.10000E+01 volume  0.87065E-03 ppm1      8.217 ppm2      4.976 CV     1
 ASSI { 1014}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 21   and name HN  ))
      4.100     2.100     1.900 peak  1014 spectrum    1 weight  0.10000E+01 volume  0.87019E-03 ppm1      8.891 ppm2      8.169 CV     1
 ASSI { 1015}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 74   and name HA  ))
      3.200     1.300     1.300 peak  1015 spectrum    1 weight  0.10000E+01 volume  0.86967E-03 ppm1      8.470 ppm2      4.333 CV     1
 ASSI { 1016}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (  segid " 1SG" and resid 47   and name HG1%)
      3.800     1.800     1.800 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.86830E-03 ppm1     10.115 ppm2      0.962 CV     1
 ASSI { 1017}
   (( segid " 1SG" and resid 38   and name HN  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      3.500     1.600     1.600 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.86542E-03 ppm1      8.375 ppm2      0.173 CV     1
 ASSI { 1018}
   (( segid " 1SG" and resid 98   and name HN  ))
   (  segid " 1SG" and resid 97   and name HD% )
      3.800     1.800     1.800 peak  1018 spectrum    1 weight  0.10000E+01 volume  0.86352E-03 ppm1      8.417 ppm2      7.087 CV     1
 ASSI { 1019}
   (( segid " 1SG" and resid 104  and name HN  ))
   (  segid " 1SG" and resid 104  and name HD2%)
      4.100     2.100     1.900 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.86091E-03 ppm1      8.795 ppm2      0.813 CV     1
 ASSI { 1020}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 57   and name HN  ))
      3.200     1.300     1.300 peak  1020 spectrum    1 weight  0.10000E+01 volume  0.86038E-03 ppm1      7.433 ppm2      7.207 CV     1
 ASSI { 1022}
   (( segid " 1SG" and resid 101  and name HN  ))
   (( segid " 1SG" and resid 101  and name HB2 ))
      4.100     2.100     1.900 peak  1022 spectrum    1 weight  0.10000E+01 volume  0.85875E-03 ppm1      9.044 ppm2      2.699 CV     1
 ASSI { 1023}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 58   and name HN  ))
      4.000     2.000     2.000 peak  1023 spectrum    1 weight  0.10000E+01 volume  0.85822E-03 ppm1      8.380 ppm2      8.945 CV     1
 ASSI { 1026}
   (( segid " 1SG" and resid 91   and name HN  ))
   (( segid " 1SG" and resid 99   and name HA  ))
      3.700     1.800     1.800 peak  1026 spectrum    1 weight  0.10000E+01 volume  0.85404E-03 ppm1      8.474 ppm2      5.702 CV     1
 ASSI { 1027}
   (( segid " 1SG" and resid 18   and name HN  ))
   (( segid " 1SG" and resid 107  and name HB1 ))
      4.200     2.200     1.800 peak  1027 spectrum    1 weight  0.10000E+01 volume  0.85351E-03 ppm1      8.006 ppm2      3.075 CV     1
 OR { 1027}
   (( segid " 1SG" and resid 18   and name HN  ))
   (( segid " 1SG" and resid 107  and name HB2 ))
 ASSI { 1028}
   (( segid " 1SG" and resid 12   and name HN  ))
   (( segid " 1SG" and resid 11   and name HB2 ))
      3.400     1.400     1.400 peak  1028 spectrum    1 weight  0.10000E+01 volume  0.85188E-03 ppm1      8.345 ppm2      0.920 CV     1
 ASSI { 1029}
   (( segid " 1SG" and resid 42   and name HN  ))
   (( segid " 1SG" and resid 42   and name HB2 ))
      3.500     1.500     1.500 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.85181E-03 ppm1      9.448 ppm2      2.466 CV     1
 ASSI { 1031}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 70   and name HN  ))
      4.100     2.100     1.900 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.85057E-03 ppm1      6.898 ppm2      9.268 CV     1
 ASSI { 1035}
   (( segid " 1SG" and resid 84   and name HN  ))
   (( segid " 1SG" and resid 106  and name HN  ))
      3.700     1.700     1.700 peak  1035 spectrum    1 weight  0.10000E+01 volume  0.84553E-03 ppm1      7.865 ppm2      8.160 CV     1
 ASSI { 1036}
   (( segid " 1SG" and resid 51   and name HN  ))
   (( segid " 1SG" and resid 49   and name HA  ))
      3.700     1.700     1.700 peak  1036 spectrum    1 weight  0.10000E+01 volume  0.84305E-03 ppm1      7.877 ppm2      3.864 CV     1
 ASSI { 1039}
   (( segid " 1SG" and resid 65   and name HN  ))
   (  segid " 1SG" and resid 66   and name HB% )
      4.400     2.400     1.600 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.83932E-03 ppm1      8.306 ppm2      1.408 CV     1
 ASSI { 1040}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      4.200     2.200     1.800 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.83866E-03 ppm1      8.721 ppm2      2.808 CV     1
 ASSI { 1041}
   (( segid " 1SG" and resid 70   and name HN  ))
   (( segid " 1SG" and resid 69   and name HB  ))
      3.900     1.900     1.900 peak  1041 spectrum    1 weight  0.10000E+01 volume  0.83611E-03 ppm1      9.274 ppm2      1.751 CV     1
 ASSI { 1042}
   (( segid " 1SG" and resid 84   and name HN  ))
   (( segid " 1SG" and resid 83   and name HB2 ))
      3.900     1.900     1.900 peak  1042 spectrum    1 weight  0.10000E+01 volume  0.83572E-03 ppm1      7.868 ppm2      3.172 CV     1
 ASSI { 1043}
   (( segid " 1SG" and resid 30   and name HN  ))
   (  segid " 1SG" and resid 70   and name HD% )
      3.800     1.800     1.800 peak  1043 spectrum    1 weight  0.10000E+01 volume  0.83448E-03 ppm1      8.592 ppm2      7.062 CV     1
 ASSI { 1045}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 81   and name HA  ))
      3.900     1.900     1.900 peak  1045 spectrum    1 weight  0.10000E+01 volume  0.83003E-03 ppm1      8.255 ppm2      3.992 CV     1
 ASSI { 1046}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 99   and name HA  ))
      3.500     1.500     1.500 peak  1046 spectrum    1 weight  0.10000E+01 volume  0.82695E-03 ppm1      9.230 ppm2      5.702 CV     1
 ASSI { 1047}
   (( segid " 1SG" and resid 84   and name HN  ))
   (  segid " 1SG" and resid 104  and name HD2%)
      3.900     1.900     1.900 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.82663E-03 ppm1      7.867 ppm2      0.812 CV     1
 ASSI { 1049}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 54   and name HN  ))
      3.600     1.600     1.600 peak  1049 spectrum    1 weight  0.10000E+01 volume  0.82407E-03 ppm1      7.434 ppm2      9.012 CV     1
 ASSI { 1051}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 19   and name HA1 ))
      4.600     2.700     1.400 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.82231E-03 ppm1      8.051 ppm2      4.254 CV     1
 ASSI { 1052}
   (( segid " 1SG" and resid 46   and name HN  ))
   (( segid " 1SG" and resid 46   and name HB2 ))
      4.000     2.000     2.000 peak  1052 spectrum    1 weight  0.10000E+01 volume  0.82100E-03 ppm1      8.216 ppm2      3.056 CV     1
 ASSI { 1054}
   (( segid " 1SG" and resid 62   and name HN  ))
   (  segid " 1SG" and resid 72   and name HD% )
      4.100     2.100     1.900 peak  1054 spectrum    1 weight  0.10000E+01 volume  0.81838E-03 ppm1      8.848 ppm2      7.306 CV     1
 ASSI { 1055}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HD1 ))
      4.400     2.400     1.600 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.81793E-03 ppm1      8.305 ppm2      3.228 CV     1
 OR { 1055}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HD2 ))
 ASSI { 1057}
   (( segid " 1SG" and resid 72   and name HN  ))
   (  segid " 1SG" and resid 26   and name HB% )
      3.800     1.800     1.800 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.81622E-03 ppm1      9.293 ppm2      1.455 CV     1
 ASSI { 1059}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 23   and name HB  ))
      4.300     2.300     1.700 peak  1059 spectrum    1 weight  0.10000E+01 volume  0.81289E-03 ppm1      9.239 ppm2      3.585 CV     1
 ASSI { 1060}
   (( segid " 1SG" and resid 70   and name HN  ))
   (( segid " 1SG" and resid 28   and name HN  ))
      3.300     1.400     1.400 peak  1060 spectrum    1 weight  0.10000E+01 volume  0.81250E-03 ppm1      9.269 ppm2      9.678 CV     1
 ASSI { 1061}
   (( segid " 1SG" and resid 46   and name HN  ))
   (( segid " 1SG" and resid 45   and name HB2 ))
      3.700     1.700     1.700 peak  1061 spectrum    1 weight  0.10000E+01 volume  0.81138E-03 ppm1      8.213 ppm2      0.596 CV     1
 OR { 1061}
   (( segid " 1SG" and resid 46   and name HN  ))
   (( segid " 1SG" and resid 45   and name HG2 ))
 ASSI { 1062}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 74   and name HA  ))
      3.600     1.600     1.600 peak  1062 spectrum    1 weight  0.10000E+01 volume  0.81021E-03 ppm1      8.687 ppm2      4.333 CV     1
 ASSI { 1064}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 48   and name HN  ))
      4.300     2.300     1.700 peak  1064 spectrum    1 weight  0.10000E+01 volume  0.80739E-03 ppm1      7.293 ppm2      8.400 CV     1
 ASSI { 1065}
   (( segid " 1SG" and resid 85   and name HN  ))
   (( segid " 1SG" and resid 104  and name HG  ))
      3.800     1.800     1.800 peak  1065 spectrum    1 weight  0.10000E+01 volume  0.80589E-03 ppm1      9.407 ppm2      1.334 CV     1
 ASSI { 1071}
   (( segid " 1SG" and resid 7    and name HN  ))
   (( segid " 1SG" and resid 6    and name HA  ))
      3.600     1.600     1.600 peak  1071 spectrum    1 weight  0.10000E+01 volume  0.79928E-03 ppm1      8.878 ppm2      4.443 CV     1
 ASSI { 1077}
   (( segid " 1SG" and resid 62   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD2%)
      4.200     2.200     1.800 peak  1077 spectrum    1 weight  0.10000E+01 volume  0.79032E-03 ppm1      8.848 ppm2      0.735 CV     1
 ASSI { 1078}
   (( segid " 1SG" and resid 72   and name HN  ))
   (( segid " 1SG" and resid 27   and name HA  ))
      3.800     1.900     1.900 peak  1078 spectrum    1 weight  0.10000E+01 volume  0.78973E-03 ppm1      9.296 ppm2      5.831 CV     1
 ASSI { 1079}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 67   and name HB2 ))
      3.900     1.900     1.900 peak  1079 spectrum    1 weight  0.10000E+01 volume  0.78855E-03 ppm1      6.900 ppm2      3.732 CV     1
 OR { 1079}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 67   and name HB1 ))
 ASSI { 1080}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 55   and name HA  ))
      3.500     1.600     1.600 peak  1080 spectrum    1 weight  0.10000E+01 volume  0.78777E-03 ppm1      7.434 ppm2      3.988 CV     1
 ASSI { 1081}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 105  and name HB  ))
      4.100     2.100     1.900 peak  1081 spectrum    1 weight  0.10000E+01 volume  0.78738E-03 ppm1      8.593 ppm2      3.930 CV     1
 ASSI { 1082}
   (( segid " 1SG" and resid 77   and name HN  ))
   (( segid " 1SG" and resid 76   and name HB  ))
      4.100     2.100     1.900 peak  1082 spectrum    1 weight  0.10000E+01 volume  0.78718E-03 ppm1      8.711 ppm2      1.910 CV     1
 ASSI { 1083}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 21   and name HA  ))
      3.700     1.700     1.700 peak  1083 spectrum    1 weight  0.10000E+01 volume  0.78652E-03 ppm1      8.972 ppm2      5.495 CV     1
 ASSI { 1084}
   (( segid " 1SG" and resid 80   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      4.200     2.200     1.800 peak  1084 spectrum    1 weight  0.10000E+01 volume  0.78626E-03 ppm1      5.579 ppm2      1.174 CV     1
 ASSI { 1086}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 58   and name HA  ))
      3.500     1.600     1.600 peak  1086 spectrum    1 weight  0.10000E+01 volume  0.78528E-03 ppm1      9.017 ppm2      4.624 CV     1
 ASSI { 1088}
   (( segid " 1SG" and resid 85   and name HN  ))
   (  segid " 1SG" and resid 104  and name HD2%)
      3.300     1.400     1.400 peak  1088 spectrum    1 weight  0.10000E+01 volume  0.78338E-03 ppm1      9.407 ppm2      0.814 CV     1
 ASSI { 1092}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 72   and name HB2 ))
      4.300     2.300     1.700 peak  1092 spectrum    1 weight  0.10000E+01 volume  0.77900E-03 ppm1      9.451 ppm2      2.893 CV     1
 ASSI { 1095}
   (( segid " 1SG" and resid 90   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG1%)
      2.800     1.000     1.000 peak  1095 spectrum    1 weight  0.10000E+01 volume  0.36248E-02 ppm1      9.489 ppm2     -0.081 CV     1
 ASSI { 1099}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 46   and name HD1 ))
      4.200     2.200     1.800 peak  1099 spectrum    1 weight  0.10000E+01 volume  0.76801E-03 ppm1      7.291 ppm2      7.129 CV     1
 ASSI { 1101}
   (( segid " 1SG" and resid 43   and name HN  ))
   (  segid " 1SG" and resid 42   and name HD% )
      3.700     1.700     1.700 peak  1101 spectrum    1 weight  0.10000E+01 volume  0.76657E-03 ppm1      8.628 ppm2      6.700 CV     1
 ASSI { 1102}
   (( segid " 1SG" and resid 93   and name HN  ))
   (( segid " 1SG" and resid 92   and name HN  ))
      4.000     2.000     2.000 peak  1102 spectrum    1 weight  0.10000E+01 volume  0.76605E-03 ppm1      8.556 ppm2      8.734 CV     1
 ASSI { 1105}
   (( segid " 1SG" and resid 48   and name HN  ))
   (  segid " 1SG" and resid 42   and name HD% )
      4.000     2.000     2.000 peak  1105 spectrum    1 weight  0.10000E+01 volume  0.75846E-03 ppm1      8.396 ppm2      6.693 CV     1
 ASSI { 1106}
   (( segid " 1SG" and resid 90   and name HN  ))
   (( segid " 1SG" and resid 89   and name HB2 ))
      4.400     2.400     1.600 peak  1106 spectrum    1 weight  0.10000E+01 volume  0.75833E-03 ppm1      9.488 ppm2      2.324 CV     1
 ASSI { 1109}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 89   and name HB2 ))
      3.500     1.500     1.500 peak  1109 spectrum    1 weight  0.10000E+01 volume  0.75624E-03 ppm1      8.977 ppm2      2.309 CV     1
 ASSI { 1114}
   (( segid " 1SG" and resid 40   and name HN  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      5.000     3.200     1.000 peak  1114 spectrum    1 weight  0.10000E+01 volume  0.74930E-03 ppm1      8.695 ppm2      0.172 CV     1
 ASSI { 1115}
   (( segid " 1SG" and resid 96   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.700     1.700     1.700 peak  1115 spectrum    1 weight  0.10000E+01 volume  0.74583E-03 ppm1      7.545 ppm2      0.466 CV     1
 ASSI { 1116}
   (( segid " 1SG" and resid 78   and name HN  ))
   (  segid " 1SG" and resid 76   and name HG2%)
      4.000     2.000     2.000 peak  1116 spectrum    1 weight  0.10000E+01 volume  0.74237E-03 ppm1      8.055 ppm2      0.789 CV     1
 ASSI { 1117}
   (( segid " 1SG" and resid 64   and name HN  ))
   (( segid " 1SG" and resid 63   and name HB2 ))
      4.800     2.900     1.200 peak  1117 spectrum    1 weight  0.10000E+01 volume  0.74086E-03 ppm1      7.754 ppm2      2.540 CV     1
 ASSI { 1118}
   (( segid " 1SG" and resid 33   and name HN  ))
   (( segid " 1SG" and resid 32   and name HA  ))
      3.700     1.700     1.700 peak  1118 spectrum    1 weight  0.10000E+01 volume  0.73975E-03 ppm1      7.614 ppm2      4.515 CV     1
 ASSI { 1119}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 72   and name HN  ))
      4.200     2.200     1.800 peak  1119 spectrum    1 weight  0.10000E+01 volume  0.73890E-03 ppm1      9.450 ppm2      9.298 CV     1
 ASSI { 1120}
   (( segid " 1SG" and resid 50   and name HN  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      3.900     1.900     1.900 peak  1120 spectrum    1 weight  0.10000E+01 volume  0.73655E-03 ppm1      8.939 ppm2      1.056 CV     1
 ASSI { 1122}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 40   and name HD2 ))
      4.000     2.000     2.000 peak  1122 spectrum    1 weight  0.10000E+01 volume  0.73465E-03 ppm1      8.978 ppm2      1.704 CV     1
 OR { 1122}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 40   and name HD1 ))
 ASSI { 1124}
   (( segid " 1SG" and resid 84   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      5.100     3.300     0.900 peak  1124 spectrum    1 weight  0.10000E+01 volume  0.73386E-03 ppm1      7.861 ppm2      0.372 CV     1
 ASSI { 1127}
   (( segid " 1SG" and resid 30   and name HN  ))
   (  segid " 1SG" and resid 70   and name HE% )
      4.000     2.000     2.000 peak  1127 spectrum    1 weight  0.10000E+01 volume  0.73026E-03 ppm1      8.590 ppm2      6.626 CV     1
 ASSI { 1128}
   (( segid " 1SG" and resid 6    and name HN  ))
   (  segid " 1SG" and resid 6    and name HD1%)
      4.100     2.100     1.900 peak  1128 spectrum    1 weight  0.10000E+01 volume  0.72909E-03 ppm1      8.452 ppm2      0.650 CV     1
 ASSI { 1130}
   (( segid " 1SG" and resid 52   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
      4.600     2.600     1.400 peak  1130 spectrum    1 weight  0.10000E+01 volume  0.72798E-03 ppm1      7.782 ppm2      0.598 CV     1
 OR { 1130}
   (( segid " 1SG" and resid 52   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI { 1134}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 43   and name HA  ))
      3.400     1.400     1.400 peak  1134 spectrum    1 weight  0.10000E+01 volume  0.72588E-03 ppm1      8.628 ppm2      4.137 CV     1
 ASSI { 1135}
   (( segid " 1SG" and resid 102  and name HN  ))
   (  segid " 1SG" and resid 102  and name HD% )
      3.600     1.700     1.700 peak  1135 spectrum    1 weight  0.10000E+01 volume  0.72575E-03 ppm1      8.559 ppm2      6.774 CV     1
 ASSI { 1136}
   (( segid " 1SG" and resid 85   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG1%)
      4.100     2.100     1.900 peak  1136 spectrum    1 weight  0.10000E+01 volume  0.72484E-03 ppm1      9.402 ppm2      0.679 CV     1
 ASSI { 1139}
   (( segid " 1SG" and resid 97   and name HN  ))
   (  segid " 1SG" and resid 97   and name HD% )
      4.400     2.400     1.600 peak  1139 spectrum    1 weight  0.10000E+01 volume  0.72359E-03 ppm1      8.059 ppm2      7.095 CV     1
 ASSI { 1147}
   (( segid " 1SG" and resid 6    and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      4.400     2.400     1.600 peak  1147 spectrum    1 weight  0.10000E+01 volume  0.71816E-03 ppm1      8.450 ppm2      0.473 CV     1
 ASSI { 1148}
   (( segid " 1SG" and resid 100  and name HN  ))
   (( segid " 1SG" and resid 100  and name HB2 ))
      4.100     2.100     1.900 peak  1148 spectrum    1 weight  0.10000E+01 volume  0.71738E-03 ppm1      8.896 ppm2      2.949 CV     1
 ASSI { 1149}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 94   and name HD2 ))
      2.700     2.700     3.300 peak  1149 spectrum    1 weight  0.10000E+01 volume  0.71607E-03 ppm1      7.966 ppm2      1.675 CV     1
 OR { 1149}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 94   and name HD1 ))
 ASSI { 1150}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 7    and name HB2 ))
      4.600     2.700     1.400 peak  1150 spectrum    1 weight  0.10000E+01 volume  0.71581E-03 ppm1      7.886 ppm2      2.575 CV     1
 ASSI { 1151}
   (( segid " 1SG" and resid 105  and name HN  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      4.200     2.200     1.800 peak  1151 spectrum    1 weight  0.10000E+01 volume  0.71515E-03 ppm1      8.397 ppm2      0.598 CV     1
 ASSI { 1153}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 49   and name HB2 ))
      4.500     2.500     1.500 peak  1153 spectrum    1 weight  0.10000E+01 volume  0.71116E-03 ppm1      6.765 ppm2      1.541 CV     1
 ASSI { 1154}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 104  and name HG  ))
      4.000     2.000     2.000 peak  1154 spectrum    1 weight  0.10000E+01 volume  0.71064E-03 ppm1      8.795 ppm2      1.331 CV     1
 ASSI { 1155}
   (( segid " 1SG" and resid 17   and name HN  ))
   (( segid " 1SG" and resid 20   and name HA1 ))
      3.700     1.700     1.700 peak  1155 spectrum    1 weight  0.10000E+01 volume  0.70835E-03 ppm1      7.901 ppm2      3.729 CV     1
 ASSI { 1156}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 94   and name HA  ))
      4.700     2.700     1.300 peak  1156 spectrum    1 weight  0.10000E+01 volume  0.70822E-03 ppm1      7.545 ppm2      4.046 CV     1
 ASSI { 1159}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (  segid " 1SG" and resid 47   and name HG2%)
      4.000     2.000     2.000 peak  1159 spectrum    1 weight  0.10000E+01 volume  0.70737E-03 ppm1     10.119 ppm2      0.784 CV     1
 ASSI { 1161}
   (( segid " 1SG" and resid 21   and name HN  ))
   (( segid " 1SG" and resid 77   and name HA  ))
      4.700     2.800     1.300 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.70573E-03 ppm1      8.164 ppm2      4.654 CV     1
 ASSI { 1162}
   (( segid " 1SG" and resid 64   and name HN  ))
   (( segid " 1SG" and resid 68   and name HN  ))
      4.000     2.000     2.000 peak  1162 spectrum    1 weight  0.10000E+01 volume  0.70501E-03 ppm1      7.762 ppm2      7.885 CV     1
 ASSI { 1163}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 48   and name HB2 ))
      4.300     2.300     1.700 peak  1163 spectrum    1 weight  0.10000E+01 volume  0.70462E-03 ppm1      9.289 ppm2      2.942 CV     1
 ASSI { 1166}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 104  and name HB2 ))
      4.500     2.500     1.500 peak  1166 spectrum    1 weight  0.10000E+01 volume  0.70259E-03 ppm1      8.397 ppm2      1.239 CV     1
 ASSI { 1167}
   (( segid " 1SG" and resid 8    and name HN  ))
   (  segid " 1SG" and resid 7    and name HD% )
      4.800     2.900     1.200 peak  1167 spectrum    1 weight  0.10000E+01 volume  0.70115E-03 ppm1      9.051 ppm2      7.309 CV     1
 ASSI { 1168}
   (( segid " 1SG" and resid 67   and name HN  ))
   (  segid " 1SG" and resid 69   and name HG2%)
      4.300     2.300     1.700 peak  1168 spectrum    1 weight  0.10000E+01 volume  0.70102E-03 ppm1      7.424 ppm2      0.850 CV     1
 OR { 1168}
   (( segid " 1SG" and resid 67   and name HN  ))
   (  segid " 1SG" and resid 69   and name HG1%)
 ASSI { 1170}
   (( segid " 1SG" and resid 12   and name HE21))
   (  segid " 1SG" and resid 102  and name HE% )
      3.900     3.900     2.100 peak  1170 spectrum    1 weight  0.10000E+01 volume  0.70037E-03 ppm1      7.462 ppm2      7.083 CV     1
 ASSI { 1172}
   (( segid " 1SG" and resid 86   and name HN  ))
   (( segid " 1SG" and resid 85   and name HN  ))
      4.000     2.000     2.000 peak  1172 spectrum    1 weight  0.10000E+01 volume  0.70017E-03 ppm1      7.948 ppm2      9.406 CV     1
 ASSI { 1173}
   (( segid " 1SG" and resid 90   and name HN  ))
   (( segid " 1SG" and resid 41   and name HA  ))
      4.200     2.200     1.800 peak  1173 spectrum    1 weight  0.10000E+01 volume  0.69828E-03 ppm1      9.490 ppm2      5.471 CV     1
 ASSI { 1174}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB1 ))
      4.600     2.700     1.400 peak  1174 spectrum    1 weight  0.10000E+01 volume  0.69821E-03 ppm1      7.198 ppm2      2.395 CV     1
 OR { 1174}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB2 ))
 ASSI { 1175}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 73   and name HB2 ))
      3.800     1.800     1.800 peak  1175 spectrum    1 weight  0.10000E+01 volume  0.69814E-03 ppm1      8.688 ppm2      1.552 CV     1
 ASSI { 1181}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 99   and name HB2 ))
      3.900     1.900     1.900 peak  1181 spectrum    1 weight  0.10000E+01 volume  0.69396E-03 ppm1      9.230 ppm2      2.737 CV     1
 ASSI { 1183}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HA  ))
      3.400     1.500     1.500 peak  1183 spectrum    1 weight  0.10000E+01 volume  0.69370E-03 ppm1      8.888 ppm2      5.828 CV     1
 ASSI { 1184}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 105  and name HN  ))
      3.900     1.900     1.900 peak  1184 spectrum    1 weight  0.10000E+01 volume  0.69363E-03 ppm1      9.178 ppm2      8.396 CV     1
 ASSI { 1187}
   (( segid " 1SG" and resid 17   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      4.300     2.400     1.700 peak  1187 spectrum    1 weight  0.10000E+01 volume  0.69265E-03 ppm1      7.900 ppm2      1.179 CV     1
 ASSI { 1192}
   (( segid " 1SG" and resid 9    and name HN  ))
   (  segid " 1SG" and resid 7    and name HD% )
      4.200     2.200     1.800 peak  1192 spectrum    1 weight  0.10000E+01 volume  0.69043E-03 ppm1      7.892 ppm2      7.309 CV     1
 ASSI { 1193}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 96   and name HG1 ))
      4.700     2.800     1.300 peak  1193 spectrum    1 weight  0.10000E+01 volume  0.68768E-03 ppm1      7.973 ppm2      1.317 CV     1
 OR { 1193}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 96   and name HG2 ))
 ASSI { 1194}
   (( segid " 1SG" and resid 60   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD2%)
      4.300     2.300     1.700 peak  1194 spectrum    1 weight  0.10000E+01 volume  0.68565E-03 ppm1      8.688 ppm2      0.407 CV     1
 OR { 1194}
   (( segid " 1SG" and resid 60   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI { 1198}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 76   and name HN  ))
      4.300     2.300     1.700 peak  1198 spectrum    1 weight  0.10000E+01 volume  0.68532E-03 ppm1      9.238 ppm2      8.919 CV     1
 ASSI { 1199}
   (( segid " 1SG" and resid 70   and name HN  ))
   (( segid " 1SG" and resid 29   and name HA  ))
      4.200     2.200     1.800 peak  1199 spectrum    1 weight  0.10000E+01 volume  0.68500E-03 ppm1      9.269 ppm2      4.385 CV     1
 ASSI { 1201}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 81   and name HA  ))
      5.600     3.900     0.400 peak  1201 spectrum    1 weight  0.10000E+01 volume  0.68356E-03 ppm1      8.150 ppm2      3.988 CV     1
 ASSI { 1205}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (  segid " 1SG" and resid 74   and name HD2%)
      4.100     2.100     1.900 peak  1205 spectrum    1 weight  0.10000E+01 volume  0.68238E-03 ppm1     10.782 ppm2      0.402 CV     1
 OR { 1205}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI { 1210}
   (( segid " 1SG" and resid 29   and name HN  ))
   (( segid " 1SG" and resid 28   and name HB  ))
      4.200     2.200     1.800 peak  1210 spectrum    1 weight  0.10000E+01 volume  0.67767E-03 ppm1      8.854 ppm2      1.961 CV     1
 ASSI { 1211}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 82   and name HN  ))
      3.400     1.500     1.500 peak  1211 spectrum    1 weight  0.10000E+01 volume  0.67747E-03 ppm1      8.254 ppm2      8.025 CV     1
 ASSI { 1213}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 43   and name HB2 ))
      4.200     2.200     1.800 peak  1213 spectrum    1 weight  0.10000E+01 volume  0.67387E-03 ppm1      8.211 ppm2      1.213 CV     1
 ASSI { 1214}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 15   and name HB2 ))
      4.700     2.800     1.300 peak  1214 spectrum    1 weight  0.10000E+01 volume  0.67355E-03 ppm1      8.404 ppm2      2.024 CV     1
 OR { 1214}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 15   and name HB1 ))
 ASSI { 1217}
   (( segid " 1SG" and resid 76   and name HN  ))
   (( segid " 1SG" and resid 77   and name HN  ))
      4.000     2.000     2.000 peak  1217 spectrum    1 weight  0.10000E+01 volume  0.67152E-03 ppm1      8.925 ppm2      8.720 CV     1
 ASSI { 1218}
   (( segid " 1SG" and resid 80   and name HE21))
   (( segid " 1SG" and resid 80   and name HA  ))
      4.300     2.300     1.700 peak  1218 spectrum    1 weight  0.10000E+01 volume  0.67034E-03 ppm1      6.979 ppm2      4.637 CV     1
 ASSI { 1219}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 26   and name HN  ))
      4.300     2.300     1.700 peak  1219 spectrum    1 weight  0.10000E+01 volume  0.67015E-03 ppm1      8.401 ppm2      9.500 CV     1
 ASSI { 1222}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 93   and name HB  ))
      3.700     1.800     1.800 peak  1222 spectrum    1 weight  0.10000E+01 volume  0.66759E-03 ppm1      7.972 ppm2      4.556 CV     1
 ASSI { 1224}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 68   and name HG1 ))
      5.500     3.700     0.500 peak  1224 spectrum    1 weight  0.10000E+01 volume  0.66681E-03 ppm1      7.423 ppm2      1.256 CV     1
 OR { 1224}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 68   and name HG2 ))
 ASSI { 1225}
   (( segid " 1SG" and resid 96   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD1%)
      4.000     2.000     2.000 peak  1225 spectrum    1 weight  0.10000E+01 volume  0.66629E-03 ppm1      7.544 ppm2      0.653 CV     1
 ASSI { 1226}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 60   and name HB2 ))
      3.500     1.600     1.600 peak  1226 spectrum    1 weight  0.10000E+01 volume  0.66485E-03 ppm1      9.449 ppm2      2.977 CV     1
 ASSI { 1228}
   (( segid " 1SG" and resid 108  and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.900     1.900     1.900 peak  1228 spectrum    1 weight  0.10000E+01 volume  0.66216E-03 ppm1      8.564 ppm2      0.370 CV     1
 ASSI { 1230}
   (( segid " 1SG" and resid 30   and name HN  ))
   (( segid " 1SG" and resid 70   and name HN  ))
      4.100     2.100     1.900 peak  1230 spectrum    1 weight  0.10000E+01 volume  0.65922E-03 ppm1      8.593 ppm2      9.275 CV     1
 ASSI { 1231}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 24   and name HN  ))
      4.300     2.300     1.700 peak  1231 spectrum    1 weight  0.10000E+01 volume  0.65909E-03 ppm1      8.400 ppm2      9.240 CV     1
 ASSI { 1232}
   (( segid " 1SG" and resid 83   and name HN  ))
   (  segid " 1SG" and resid 83   and name HE% )
      5.000     3.100     1.000 peak  1232 spectrum    1 weight  0.10000E+01 volume  0.65896E-03 ppm1      8.256 ppm2      7.263 CV     1
 ASSI { 1238}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 58   and name HG2 ))
      4.600     2.600     1.400 peak  1238 spectrum    1 weight  0.10000E+01 volume  0.65484E-03 ppm1      9.148 ppm2      1.803 CV     1
 ASSI { 1239}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 40   and name HD1 ))
      4.100     2.100     1.900 peak  1239 spectrum    1 weight  0.10000E+01 volume  0.65322E-03 ppm1      9.110 ppm2      1.698 CV     1
 OR { 1239}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 40   and name HD2 ))
 ASSI { 1241}
   (( segid " 1SG" and resid 108  and name HN  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      4.400     2.400     1.600 peak  1241 spectrum    1 weight  0.10000E+01 volume  0.65284E-03 ppm1      8.565 ppm2      1.285 CV     1
 ASSI { 1245}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 41   and name HD1 ))
      4.200     2.200     1.800 peak  1245 spectrum    1 weight  0.10000E+01 volume  0.65094E-03 ppm1      8.690 ppm2      7.122 CV     1
 ASSI { 1247}
   (( segid " 1SG" and resid 58   and name HE22))
   (( segid " 1SG" and resid 77   and name HB  ))
      4.400     2.500     1.600 peak  1247 spectrum    1 weight  0.10000E+01 volume  0.65022E-03 ppm1      6.686 ppm2      4.009 CV     1
 ASSI { 1249}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 7    and name HB2 ))
      3.100     3.100     2.900 peak  1249 spectrum    1 weight  0.10000E+01 volume  0.64946E-03 ppm1      9.229 ppm2      2.578 CV     1
 ASSI { 1250}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 77   and name HN  ))
      4.900     3.000     1.100 peak  1250 spectrum    1 weight  0.10000E+01 volume  0.64915E-03 ppm1      8.944 ppm2      8.717 CV     1
 ASSI { 1258}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 74   and name HN  ))
      4.300     2.300     1.700 peak  1258 spectrum    1 weight  0.10000E+01 volume  0.64434E-03 ppm1      9.450 ppm2      8.472 CV     1
 ASSI { 1260}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 42   and name HB2 ))
      4.500     2.600     1.500 peak  1260 spectrum    1 weight  0.10000E+01 volume  0.64325E-03 ppm1      9.287 ppm2      2.479 CV     1
 ASSI { 1263}
   (( segid " 1SG" and resid 73   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD2%)
      4.300     2.300     1.700 peak  1263 spectrum    1 weight  0.10000E+01 volume  0.64047E-03 ppm1      9.448 ppm2      0.742 CV     1
 ASSI { 1264}
   (( segid " 1SG" and resid 80   and name HE22))
   (( segid " 1SG" and resid 80   and name HA  ))
      5.500     3.800     0.500 peak  1264 spectrum    1 weight  0.10000E+01 volume  0.63931E-03 ppm1      6.643 ppm2      4.635 CV     1
 ASSI { 1268}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 89   and name HA  ))
      3.600     1.600     1.600 peak  1268 spectrum    1 weight  0.10000E+01 volume  0.63830E-03 ppm1      8.977 ppm2      4.944 CV     1
 ASSI { 1269}
   (( segid " 1SG" and resid 73   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD1%)
      4.000     2.000     2.000 peak  1269 spectrum    1 weight  0.10000E+01 volume  0.63822E-03 ppm1      9.452 ppm2      0.839 CV     1
 ASSI { 1270}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 57   and name HG  ))
      4.700     2.700     1.300 peak  1270 spectrum    1 weight  0.10000E+01 volume  0.63801E-03 ppm1      9.018 ppm2      0.750 CV     1
 ASSI { 1272}
   (( segid " 1SG" and resid 53   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD1%)
      5.200     3.300     0.800 peak  1272 spectrum    1 weight  0.10000E+01 volume  0.63718E-03 ppm1      6.765 ppm2      0.861 CV     1
 ASSI { 1273}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 98   and name HB2 ))
      4.700     2.700     1.300 peak  1273 spectrum    1 weight  0.10000E+01 volume  0.63672E-03 ppm1      9.229 ppm2      2.289 CV     1
 ASSI { 1274}
   (( segid " 1SG" and resid 16   and name HN  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      4.500     2.600     1.500 peak  1274 spectrum    1 weight  0.10000E+01 volume  0.63637E-03 ppm1      8.594 ppm2      1.286 CV     1
 ASSI { 1276}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 71   and name HA  ))
      4.000     2.000     2.000 peak  1276 spectrum    1 weight  0.10000E+01 volume  0.63578E-03 ppm1      9.674 ppm2      5.062 CV     1
 ASSI { 1277}
   (( segid " 1SG" and resid 76   and name HN  ))
   (( segid " 1SG" and resid 75   and name HN  ))
      4.000     2.000     2.000 peak  1277 spectrum    1 weight  0.10000E+01 volume  0.63565E-03 ppm1      8.928 ppm2      9.150 CV     1
 ASSI { 1285}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 17   and name HN  ))
      3.800     1.800     1.800 peak  1285 spectrum    1 weight  0.10000E+01 volume  0.62728E-03 ppm1      8.829 ppm2      7.897 CV     1
 ASSI { 1286}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 65   and name HA  ))
      4.300     2.300     1.700 peak  1286 spectrum    1 weight  0.10000E+01 volume  0.62726E-03 ppm1      7.422 ppm2      3.445 CV     1
 ASSI { 1287}
   (( segid " 1SG" and resid 22   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      4.200     2.200     1.800 peak  1287 spectrum    1 weight  0.10000E+01 volume  0.62722E-03 ppm1      8.892 ppm2      1.182 CV     1
 ASSI { 1288}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 67   and name HA  ))
      4.900     3.000     1.100 peak  1288 spectrum    1 weight  0.10000E+01 volume  0.62685E-03 ppm1      8.107 ppm2      4.299 CV     1
 ASSI { 1290}
   (( segid " 1SG" and resid 70   and name HN  ))
   (( segid " 1SG" and resid 28   and name HB  ))
      3.700     1.700     1.700 peak  1290 spectrum    1 weight  0.10000E+01 volume  0.62664E-03 ppm1      9.273 ppm2      1.954 CV     1
 ASSI { 1292}
   (( segid " 1SG" and resid 101  and name HD22))
   (( segid " 1SG" and resid 101  and name HB2 ))
      4.400     2.400     1.600 peak  1292 spectrum    1 weight  0.10000E+01 volume  0.62453E-03 ppm1      6.724 ppm2      2.692 CV     1
 ASSI { 1293}
   (( segid " 1SG" and resid 101  and name HD21))
   (( segid " 1SG" and resid 101  and name HB2 ))
      3.700     1.700     1.700 peak  1293 spectrum    1 weight  0.10000E+01 volume  0.62406E-03 ppm1      7.469 ppm2      2.694 CV     1
 ASSI { 1295}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 83   and name HA  ))
      4.000     2.000     2.000 peak  1295 spectrum    1 weight  0.10000E+01 volume  0.62200E-03 ppm1     10.109 ppm2      4.613 CV     1
 ASSI { 1296}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB1 ))
      4.500     2.500     1.500 peak  1296 spectrum    1 weight  0.10000E+01 volume  0.62191E-03 ppm1      9.024 ppm2      2.399 CV     1
 OR { 1296}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB2 ))
 ASSI { 1298}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 37   and name HB2 ))
      4.400     2.500     1.600 peak  1298 spectrum    1 weight  0.10000E+01 volume  0.62141E-03 ppm1      8.737 ppm2      1.365 CV     1
 OR { 1298}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 37   and name HG2 ))
 ASSI { 1299}
   (( segid " 1SG" and resid 7    and name HN  ))
   (  segid " 1SG" and resid 6    and name HD1%)
      4.800     2.900     1.200 peak  1299 spectrum    1 weight  0.10000E+01 volume  0.62123E-03 ppm1      8.875 ppm2      0.650 CV     1
 ASSI { 1302}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 84   and name HA  ))
      4.000     2.000     2.000 peak  1302 spectrum    1 weight  0.10000E+01 volume  0.61980E-03 ppm1      8.799 ppm2      4.230 CV     1
 OR { 1302}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 84   and name HB  ))
 ASSI { 1306}
   (( segid " 1SG" and resid 40   and name HN  ))
   (  segid " 1SG" and resid 38   and name HG2%)
      4.500     2.500     1.500 peak  1306 spectrum    1 weight  0.10000E+01 volume  0.61626E-03 ppm1      8.688 ppm2      0.784 CV     1
 ASSI { 1307}
   (( segid " 1SG" and resid 29   and name HN  ))
   (( segid " 1SG" and resid 28   and name HN  ))
      4.300     2.300     1.700 peak  1307 spectrum    1 weight  0.10000E+01 volume  0.61555E-03 ppm1      8.856 ppm2      9.676 CV     1
 ASSI { 1310}
   (( segid " 1SG" and resid 93   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD1%)
      4.100     2.100     1.900 peak  1310 spectrum    1 weight  0.10000E+01 volume  0.61413E-03 ppm1      8.555 ppm2      0.652 CV     1
 ASSI { 1311}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 46   and name HB2 ))
      4.500     2.500     1.500 peak  1311 spectrum    1 weight  0.10000E+01 volume  0.61382E-03 ppm1     10.115 ppm2      3.057 CV     1
 ASSI { 1313}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 107  and name HN  ))
      4.500     2.500     1.500 peak  1313 spectrum    1 weight  0.10000E+01 volume  0.61249E-03 ppm1      8.148 ppm2      8.823 CV     1
 ASSI { 1314}
   (( segid " 1SG" and resid 42   and name HN  ))
   (( segid " 1SG" and resid 41   and name HN  ))
      4.500     2.600     1.500 peak  1314 spectrum    1 weight  0.10000E+01 volume  0.61107E-03 ppm1      9.445 ppm2      9.310 CV     1
 ASSI { 1315}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 101  and name HA  ))
      4.200     2.200     1.800 peak  1315 spectrum    1 weight  0.10000E+01 volume  0.61096E-03 ppm1      8.979 ppm2      5.507 CV     1
 ASSI { 1317}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 45   and name HA  ))
      4.800     2.900     1.200 peak  1317 spectrum    1 weight  0.10000E+01 volume  0.60874E-03 ppm1     10.118 ppm2      3.497 CV     1
 ASSI { 1319}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 57   and name HA  ))
      4.100     2.100     1.900 peak  1319 spectrum    1 weight  0.10000E+01 volume  0.60785E-03 ppm1      9.150 ppm2      5.401 CV     1
 ASSI { 1320}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 45   and name HE2 ))
      3.100     3.100     2.900 peak  1320 spectrum    1 weight  0.10000E+01 volume  0.60759E-03 ppm1     10.108 ppm2      2.594 CV     1
 ASSI { 1323}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 58   and name HA  ))
      3.900     1.900     1.900 peak  1323 spectrum    1 weight  0.10000E+01 volume  0.60596E-03 ppm1      7.436 ppm2      4.650 CV     1
 ASSI { 1325}
   (( segid " 1SG" and resid 10   and name HN  ))
   (( segid " 1SG" and resid 10   and name HA  ))
      3.600     1.600     1.600 peak  1325 spectrum    1 weight  0.10000E+01 volume  0.60411E-03 ppm1      8.852 ppm2      4.315 CV     1
 ASSI { 1332}
   (( segid " 1SG" and resid 80   and name HN  ))
   (( segid " 1SG" and resid 80   and name HG2 ))
      4.300     2.300     1.700 peak  1332 spectrum    1 weight  0.10000E+01 volume  0.60030E-03 ppm1      5.579 ppm2      2.159 CV     1
 OR { 1332}
   (( segid " 1SG" and resid 80   and name HN  ))
   (( segid " 1SG" and resid 80   and name HG1 ))
 ASSI { 1333}
   (( segid " 1SG" and resid 21   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      4.100     2.100     1.900 peak  1333 spectrum    1 weight  0.10000E+01 volume  0.59955E-03 ppm1      8.168 ppm2      1.177 CV     1
 ASSI { 1335}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 89   and name HA  ))
      4.500     2.500     1.500 peak  1335 spectrum    1 weight  0.10000E+01 volume  0.59809E-03 ppm1      8.689 ppm2      4.943 CV     1
 ASSI { 1341}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 88   and name HA  ))
      3.600     1.600     1.600 peak  1341 spectrum    1 weight  0.10000E+01 volume  0.59230E-03 ppm1      9.108 ppm2      5.308 CV     1
 ASSI { 1347}
   (( segid " 1SG" and resid 29   and name HN  ))
   (( segid " 1SG" and resid 30   and name HN  ))
      3.400     1.400     1.400 peak  1347 spectrum    1 weight  0.10000E+01 volume  0.36154E-02 ppm1      8.854 ppm2      8.595 CV     1
 ASSI { 1348}
   (( segid " 1SG" and resid 102  and name HN  ))
   (( segid " 1SG" and resid 103  and name HN  ))
      3.100     1.200     1.200 peak  1348 spectrum    1 weight  0.10000E+01 volume  0.36174E-02 ppm1      8.557 ppm2      9.245 CV     1
 ASSI { 1349}
   (( segid " 1SG" and resid 42   and name HN  ))
   (( segid " 1SG" and resid 42   and name HA  ))
      2.700     0.900     0.900 peak  1349 spectrum    1 weight  0.10000E+01 volume  0.36154E-02 ppm1      9.447 ppm2      5.780 CV     1
 ASSI { 1351}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 14   and name HN  ))
      3.400     1.400     1.400 peak  1351 spectrum    1 weight  0.10000E+01 volume  0.36154E-02 ppm1      8.317 ppm2      9.191 CV     1
 ASSI { 1352}
   (( segid " 1SG" and resid 94   and name HN  ))
   (( segid " 1SG" and resid 94   and name HB2 ))
      3.200     1.300     1.300 peak  1352 spectrum    1 weight  0.10000E+01 volume  0.36154E-02 ppm1      8.330 ppm2      1.778 CV     1
 ASSI { 1353}
   (( segid " 1SG" and resid 93   and name HN  ))
   (( segid " 1SG" and resid 93   and name HB  ))
      2.700     0.900     0.900 peak  1353 spectrum    1 weight  0.10000E+01 volume  0.36154E-02 ppm1      8.558 ppm2      4.550 CV     1
 ASSI { 1356}
   (( segid " 1SG" and resid 56   and name HN  ))
   (( segid " 1SG" and resid 56   and name HA  ))
      2.800     1.000     1.000 peak  1356 spectrum    1 weight  0.10000E+01 volume  0.36154E-02 ppm1      8.385 ppm2      4.970 CV     1
 ASSI { 1360}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 98   and name HN  ))
      3.300     1.400     1.400 peak  1360 spectrum    1 weight  0.10000E+01 volume  0.36154E-02 ppm1      8.056 ppm2      8.423 CV     1
 ASSI { 1361}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 104  and name HN  ))
      3.200     1.300     1.300 peak  1361 spectrum    1 weight  0.10000E+01 volume  0.36174E-02 ppm1      9.242 ppm2      8.788 CV     1
 ASSI { 1362}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 96   and name HN  ))
      3.100     1.200     1.200 peak  1362 spectrum    1 weight  0.10000E+01 volume  0.36154E-02 ppm1      8.059 ppm2      7.543 CV     1
 ASSI { 1365}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 35   and name HB2 ))
      3.100     1.200     1.200 peak  1365 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      7.510 ppm2      1.779 CV     1
 OR { 1365}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 35   and name HB1 ))
 ASSI { 1366}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 35   and name HE2 ))
      3.500     1.600     1.600 peak  1366 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      7.510 ppm2      2.950 CV     1
 OR { 1366}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 35   and name HE1 ))
 ASSI { 1367}
   (( segid " 1SG" and resid 45   and name HN  ))
   (( segid " 1SG" and resid 45   and name HA  ))
      2.800     1.000     1.000 peak  1367 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      8.196 ppm2      3.486 CV     1
 ASSI { 1369}
   (( segid " 1SG" and resid 45   and name HN  ))
   (( segid " 1SG" and resid 45   and name HB2 ))
      2.600     0.900     0.900 peak  1369 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      8.195 ppm2      0.606 CV     1
 OR { 1369}
   (( segid " 1SG" and resid 45   and name HN  ))
   (( segid " 1SG" and resid 45   and name HG2 ))
 ASSI { 1371}
   (( segid " 1SG" and resid 94   and name HN  ))
   (( segid " 1SG" and resid 94   and name HA  ))
      2.600     0.900     0.900 peak  1371 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      8.337 ppm2      4.042 CV     1
 ASSI { 1373}
   (( segid " 1SG" and resid 18   and name HN  ))
   (  segid " 1SG" and resid 18   and name HG1%)
      3.400     1.400     1.400 peak  1373 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      8.005 ppm2      0.992 CV     1
 ASSI { 1374}
   (( segid " 1SG" and resid 53   and name HN  ))
   (  segid " 1SG" and resid 53   and name HG1%)
      3.500     1.500     1.500 peak  1374 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      6.764 ppm2      1.120 CV     1
 ASSI { 1376}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 21   and name HB2 ))
      3.700     1.700     1.700 peak  1376 spectrum    1 weight  0.10000E+01 volume  0.36174E-02 ppm1      8.053 ppm2      3.751 CV     1
 ASSI { 1379}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 62   and name HN  ))
      3.600     1.600     1.600 peak  1379 spectrum    1 weight  0.10000E+01 volume  0.36154E-02 ppm1      9.447 ppm2      8.851 CV     1
 ASSI { 1380}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 64   and name HN  ))
      3.400     1.400     1.400 peak  1380 spectrum    1 weight  0.10000E+01 volume  0.36154E-02 ppm1      8.721 ppm2      7.751 CV     1
 ASSI { 1381}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 87   and name HN  ))
      3.000     1.100     1.100 peak  1381 spectrum    1 weight  0.10000E+01 volume  0.36154E-02 ppm1      8.792 ppm2      9.113 CV     1
 ASSI { 1384}
   (( segid " 1SG" and resid 98   and name HN  ))
   (( segid " 1SG" and resid 98   and name HA  ))
      2.800     1.000     1.000 peak  1384 spectrum    1 weight  0.10000E+01 volume  0.36154E-02 ppm1      8.417 ppm2      4.696 CV     1
 ASSI { 1385}
   (( segid " 1SG" and resid 80   and name HN  ))
   (( segid " 1SG" and resid 80   and name HA  ))
      2.700     0.900     0.900 peak  1385 spectrum    1 weight  0.10000E+01 volume  0.36154E-02 ppm1      5.581 ppm2      4.644 CV     1
 ASSI { 1386}
   (( segid " 1SG" and resid 12   and name HN  ))
   (( segid " 1SG" and resid 12   and name HA  ))
      2.800     1.000     1.000 peak  1386 spectrum    1 weight  0.10000E+01 volume  0.36154E-02 ppm1      8.345 ppm2      4.679 CV     1
 ASSI { 1391}
   (( segid " 1SG" and resid 101  and name HN  ))
   (( segid " 1SG" and resid 101  and name HA  ))
      2.600     0.900     0.900 peak  1391 spectrum    1 weight  0.10000E+01 volume  0.36154E-02 ppm1      9.044 ppm2      5.506 CV     1
 ASSI { 1393}
   (( segid " 1SG" and resid 91   and name HN  ))
   (( segid " 1SG" and resid 90   and name HA  ))
      2.600     0.800     0.800 peak  1393 spectrum    1 weight  0.10000E+01 volume  0.36154E-02 ppm1      8.474 ppm2      4.789 CV     1
 ASSI { 1395}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 49   and name HN  ))
      2.900     1.000     1.000 peak  1395 spectrum    1 weight  0.10000E+01 volume  0.36154E-02 ppm1      8.632 ppm2      9.291 CV     1
 ASSI { 1397}
   (( segid " 1SG" and resid 33   and name HN  ))
   (( segid " 1SG" and resid 33   and name HA  ))
      2.800     1.000     1.000 peak  1397 spectrum    1 weight  0.10000E+01 volume  0.36154E-02 ppm1      7.614 ppm2      4.456 CV     1
 ASSI { 1398}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 40   and name HN  ))
      3.300     1.400     1.400 peak  1398 spectrum    1 weight  0.10000E+01 volume  0.36154E-02 ppm1      9.308 ppm2      8.696 CV     1
 ASSI { 1399}
   (( segid " 1SG" and resid 6    and name HN  ))
   (( segid " 1SG" and resid 5    and name HN  ))
      2.400     0.700     0.700 peak  1399 spectrum    1 weight  0.10000E+01 volume  0.36174E-02 ppm1      8.450 ppm2      8.143 CV     1
 ASSI { 1400}
   (( segid " 1SG" and resid 8    and name HN  ))
   (( segid " 1SG" and resid 29   and name HN  ))
      2.900     1.100     1.100 peak  1400 spectrum    1 weight  0.10000E+01 volume  0.36174E-02 ppm1      9.053 ppm2      8.853 CV     1
 ASSI { 1401}
   (( segid " 1SG" and resid 7    and name HN  ))
   (( segid " 1SG" and resid 8    and name HN  ))
      3.100     1.200     1.200 peak  1401 spectrum    1 weight  0.10000E+01 volume  0.36174E-02 ppm1      8.874 ppm2      9.052 CV     1
 ASSI { 1403}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 103  and name HN  ))
      3.300     1.300     1.300 peak  1403 spectrum    1 weight  0.10000E+01 volume  0.36174E-02 ppm1      8.312 ppm2      9.240 CV     1
 ASSI { 1406}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 48   and name HN  ))
      3.200     1.300     1.300 peak  1406 spectrum    1 weight  0.10000E+01 volume  0.36174E-02 ppm1      9.290 ppm2      8.397 CV     1
 ASSI { 1407}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 50   and name HN  ))
      3.300     1.400     1.400 peak  1407 spectrum    1 weight  0.10000E+01 volume  0.36174E-02 ppm1      7.786 ppm2      8.941 CV     1
 ASSI { 1408}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 51   and name HN  ))
      3.600     1.600     1.600 peak  1408 spectrum    1 weight  0.10000E+01 volume  0.36174E-02 ppm1      6.764 ppm2      7.881 CV     1
 ASSI { 1409}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 51   and name HA  ))
      3.000     1.100     1.100 peak  1409 spectrum    1 weight  0.10000E+01 volume  0.36174E-02 ppm1      7.784 ppm2      4.557 CV     1
 ASSI { 1411}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 58   and name HN  ))
      3.100     1.200     1.200 peak  1411 spectrum    1 weight  0.10000E+01 volume  0.36174E-02 ppm1      7.198 ppm2      8.954 CV     1
 ASSI { 1412}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 60   and name HN  ))
      3.300     1.300     1.300 peak  1412 spectrum    1 weight  0.10000E+01 volume  0.36174E-02 ppm1      9.151 ppm2      8.693 CV     1
 ASSI { 1413}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 64   and name HN  ))
      3.300     1.400     1.400 peak  1413 spectrum    1 weight  0.10000E+01 volume  0.36174E-02 ppm1      8.305 ppm2      7.754 CV     1
 ASSI { 1414}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 70   and name HN  ))
      3.200     1.300     1.300 peak  1414 spectrum    1 weight  0.10000E+01 volume  0.36174E-02 ppm1      8.724 ppm2      9.271 CV     1
 ASSI { 1417}
   (( segid " 1SG" and resid 72   and name HN  ))
   (( segid " 1SG" and resid 28   and name HN  ))
      3.300     1.400     1.400 peak  1417 spectrum    1 weight  0.10000E+01 volume  0.36174E-02 ppm1      9.295 ppm2      9.670 CV     1
 ASSI { 1419}
   (( segid " 1SG" and resid 76   and name HN  ))
   (( segid " 1SG" and resid 76   and name HA  ))
      2.600     0.800     0.800 peak  1419 spectrum    1 weight  0.10000E+01 volume  0.36174E-02 ppm1      8.925 ppm2      4.988 CV     1
 ASSI { 1420}
   (( segid " 1SG" and resid 84   and name HN  ))
   (( segid " 1SG" and resid 83   and name HA  ))
      2.800     1.000     1.000 peak  1420 spectrum    1 weight  0.10000E+01 volume  0.36174E-02 ppm1      7.866 ppm2      4.601 CV     1
 ASSI { 1422}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 100  and name HN  ))
      2.700     0.900     0.900 peak  1422 spectrum    1 weight  0.10000E+01 volume  0.36174E-02 ppm1      8.979 ppm2      8.906 CV     1
 ASSI { 1423}
   (( segid " 1SG" and resid 91   and name HN  ))
   (( segid " 1SG" and resid 91   and name HA  ))
      2.600     0.800     0.800 peak  1423 spectrum    1 weight  0.10000E+01 volume  0.36174E-02 ppm1      8.474 ppm2      4.739 CV     1
 ASSI { 1426}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 15   and name HA  ))
      2.600     0.800     0.800 peak  1426 spectrum    1 weight  0.10000E+01 volume  0.36174E-02 ppm1      8.399 ppm2      5.489 CV     1
 ASSI { 1428}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 104  and name HN  ))
      3.100     1.200     1.200 peak  1428 spectrum    1 weight  0.10000E+01 volume  0.36174E-02 ppm1      8.400 ppm2      8.792 CV     1
 ASSI { 1429}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 105  and name HN  ))
      3.000     1.100     1.100 peak  1429 spectrum    1 weight  0.10000E+01 volume  0.36174E-02 ppm1      8.150 ppm2      8.402 CV     1
 ASSI { 1430}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 85   and name HN  ))
      3.000     1.100     1.100 peak  1430 spectrum    1 weight  0.10000E+01 volume  0.36174E-02 ppm1      8.149 ppm2      9.408 CV     1
 ASSI { 1433}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 106  and name HA  ))
      2.600     0.800     0.800 peak  1433 spectrum    1 weight  0.10000E+01 volume  0.36174E-02 ppm1      8.151 ppm2      4.725 CV     1
 ASSI { 1434}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 65   and name HA  ))
      3.100     1.200     1.200 peak  1434 spectrum    1 weight  0.10000E+01 volume  0.36174E-02 ppm1      6.900 ppm2      3.449 CV     1
 ASSI { 1435}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 78   and name HN  ))
      3.900     1.900     1.900 peak  1435 spectrum    1 weight  0.10000E+01 volume  0.36174E-02 ppm1      8.889 ppm2      8.054 CV     1
 ASSI { 1437}
   (( segid " 1SG" and resid 19   and name HN  ))
   (( segid " 1SG" and resid 20   and name HA1 ))
      3.800     1.800     1.800 peak  1437 spectrum    1 weight  0.10000E+01 volume  0.36174E-02 ppm1      9.827 ppm2      3.729 CV     1
 ASSI { 1438}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 37   and name HA  ))
      3.300     1.300     1.300 peak  1438 spectrum    1 weight  0.10000E+01 volume  0.36174E-02 ppm1      8.735 ppm2      4.487 CV     1
 ASSI { 1439}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 39   and name HA  ))
      3.300     1.400     1.400 peak  1439 spectrum    1 weight  0.10000E+01 volume  0.36174E-02 ppm1      8.735 ppm2      4.801 CV     1
 ASSI { 1440}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 43   and name HA  ))
      3.200     1.300     1.300 peak  1440 spectrum    1 weight  0.10000E+01 volume  0.36174E-02 ppm1      9.108 ppm2      4.132 CV     1
 ASSI { 1441}
   (( segid " 1SG" and resid 86   and name HN  ))
   (( segid " 1SG" and resid 103  and name HA  ))
      3.100     1.200     1.200 peak  1441 spectrum    1 weight  0.10000E+01 volume  0.36174E-02 ppm1      7.948 ppm2      5.544 CV     1
 ASSI { 1442}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 48   and name HA  ))
      2.600     0.900     0.900 peak  1442 spectrum    1 weight  0.10000E+01 volume  0.36174E-02 ppm1      8.628 ppm2      4.192 CV     1
 ASSI { 1443}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 86   and name HA2 ))
      3.000     1.100     1.100 peak  1443 spectrum    1 weight  0.10000E+01 volume  0.36174E-02 ppm1      8.796 ppm2      4.658 CV     1
 ASSI { 1445}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 102  and name HA  ))
      3.000     1.100     1.100 peak  1445 spectrum    1 weight  0.10000E+01 volume  0.36174E-02 ppm1      8.313 ppm2      4.987 CV     1
 ASSI { 1446}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 9    and name HB2 ))
      2.800     1.000     1.000 peak  1446 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      7.887 ppm2      1.892 CV     1
 ASSI { 1447}
   (( segid " 1SG" and resid 80   and name HN  ))
   (( segid " 1SG" and resid 80   and name HB1 ))
      2.600     0.800     0.800 peak  1447 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      5.579 ppm2      1.960 CV     1
 OR { 1447}
   (( segid " 1SG" and resid 80   and name HN  ))
   (( segid " 1SG" and resid 80   and name HB2 ))
 ASSI { 1448}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 23   and name HN  ))
      3.200     1.300     1.300 peak  1448 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      9.239 ppm2      7.917 CV     1
 ASSI { 1449}
   (( segid " 1SG" and resid 42   and name HN  ))
   (( segid " 1SG" and resid 41   and name HD1 ))
      3.700     3.700     2.300 peak  1449 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      9.447 ppm2      7.131 CV     1
 ASSI { 1450}
   (( segid " 1SG" and resid 46   and name HN  ))
   (( segid " 1SG" and resid 46   and name HD1 ))
      2.600     0.900     0.900 peak  1450 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      8.216 ppm2      7.132 CV     1
 ASSI { 1452}
   (( segid " 1SG" and resid 56   and name HN  ))
   (( segid " 1SG" and resid 56   and name HB2 ))
      3.400     1.400     1.400 peak  1452 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      8.383 ppm2      3.101 CV     1
 ASSI { 1453}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 103  and name HB2 ))
      3.200     3.200     2.800 peak  1453 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      9.184 ppm2      2.498 CV     1
 ASSI { 1455}
   (( segid " 1SG" and resid 86   and name HN  ))
   (  segid " 1SG" and resid 87   and name HD% )
      3.000     1.200     1.200 peak  1455 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      7.948 ppm2      6.794 CV     1
 ASSI { 1456}
   (( segid " 1SG" and resid 86   and name HN  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      3.100     3.100     2.900 peak  1456 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      7.946 ppm2      1.498 CV     1
 ASSI { 1458}
   (( segid " 1SG" and resid 5    and name HN  ))
   (( segid " 1SG" and resid 96   and name HB2 ))
      3.300     1.300     1.300 peak  1458 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      8.144 ppm2      1.572 CV     1
 ASSI { 1459}
   (( segid " 1SG" and resid 5    and name HN  ))
   (( segid " 1SG" and resid 4    and name HG12))
      3.800     1.800     1.800 peak  1459 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      8.143 ppm2      1.230 CV     1
 ASSI { 1460}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 64   and name HB2 ))
      3.100     1.200     1.200 peak  1460 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      7.421 ppm2      2.339 CV     1
 ASSI { 1461}
   (( segid " 1SG" and resid 20   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.400     1.400     1.400 peak  1461 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      8.824 ppm2      0.376 CV     1
 ASSI { 1462}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 18   and name HN  ))
      3.200     3.200     2.800 peak  1462 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      8.828 ppm2      8.005 CV     1
 ASSI { 1463}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 63   and name HN  ))
      3.300     1.400     1.400 peak  1463 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      8.848 ppm2      8.521 CV     1
 ASSI { 1465}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 95   and name HB2 ))
      2.600     0.900     0.900 peak  1465 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      7.971 ppm2      2.631 CV     1
 ASSI { 1466}
   (( segid " 1SG" and resid 95   and name HN  ))
   (  segid " 1SG" and resid 93   and name HG2%)
      2.300     2.300     3.700 peak  1466 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      7.969 ppm2      1.024 CV     1
 ASSI { 1468}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 80   and name HG1 ))
      2.700     0.900     0.900 peak  1468 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      8.254 ppm2      2.168 CV     1
 OR { 1468}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 80   and name HG2 ))
 ASSI { 1469}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 106  and name HB  ))
      3.200     1.300     1.300 peak  1469 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      8.253 ppm2      1.861 CV     1
 ASSI { 1471}
   (( segid " 1SG" and resid 83   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.300     1.400     1.400 peak  1471 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      8.254 ppm2      0.372 CV     1
 ASSI { 1472}
   (( segid " 1SG" and resid 93   and name HN  ))
   (  segid " 1SG" and resid 97   and name HD% )
      3.100     1.200     1.200 peak  1472 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      8.557 ppm2      7.094 CV     1
 ASSI { 1473}
   (( segid " 1SG" and resid 93   and name HN  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      2.900     1.100     1.100 peak  1473 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      8.557 ppm2      0.177 CV     1
 ASSI { 1476}
   (( segid " 1SG" and resid 85   and name HN  ))
   (( segid " 1SG" and resid 104  and name HB2 ))
      3.400     1.500     1.500 peak  1476 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      9.406 ppm2      1.227 CV     1
 ASSI { 1477}
   (( segid " 1SG" and resid 85   and name HN  ))
   (( segid " 1SG" and resid 103  and name HA  ))
      3.500     1.600     1.600 peak  1477 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      9.405 ppm2      5.536 CV     1
 ASSI { 1478}
   (( segid " 1SG" and resid 25   and name HN  ))
   (  segid " 1SG" and resid 23   and name HG2%)
      3.200     1.300     1.300 peak  1478 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      8.401 ppm2      0.771 CV     1
 ASSI { 1480}
   (( segid " 1SG" and resid 44   and name HN  ))
   (  segid " 1SG" and resid 87   and name HD% )
      2.700     0.900     0.900 peak  1480 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      8.211 ppm2      6.801 CV     1
 ASSI { 1482}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 43   and name HD2 ))
      3.400     1.400     1.400 peak  1482 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      8.212 ppm2      1.314 CV     1
 OR { 1482}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 43   and name HD1 ))
 ASSI { 1484}
   (( segid " 1SG" and resid 51   and name HN  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      3.100     1.200     1.200 peak  1484 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      7.879 ppm2      1.071 CV     1
 ASSI { 1485}
   (( segid " 1SG" and resid 51   and name HN  ))
   (( segid " 1SG" and resid 52   and name HB2 ))
      3.500     1.500     1.500 peak  1485 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      7.881 ppm2      1.710 CV     1
 ASSI { 1486}
   (( segid " 1SG" and resid 7    and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.600     1.600     1.600 peak  1486 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      8.875 ppm2      0.469 CV     1
 ASSI { 1488}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 48   and name HB2 ))
      3.000     1.100     1.100 peak  1488 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      8.940 ppm2      2.935 CV     1
 ASSI { 1490}
   (( segid " 1SG" and resid 69   and name HN  ))
   (  segid " 1SG" and resid 63   and name HD% )
      3.000     3.000     3.000 peak  1490 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      6.899 ppm2      5.903 CV     1
 ASSI { 1491}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 67   and name HA  ))
      3.300     1.400     1.400 peak  1491 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      6.897 ppm2      4.292 CV     1
 ASSI { 1494}
   (( segid " 1SG" and resid 83   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      3.400     1.500     1.500 peak  1494 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      8.257 ppm2      1.183 CV     1
 ASSI { 1495}
   (( segid " 1SG" and resid 70   and name HN  ))
   (  segid " 1SG" and resid 28   and name HG2%)
      3.200     1.300     1.300 peak  1495 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      9.272 ppm2      0.629 CV     1
 ASSI { 1497}
   (( segid " 1SG" and resid 70   and name HN  ))
   (  segid " 1SG" and resid 70   and name HE% )
      3.400     1.400     1.400 peak  1497 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      9.270 ppm2      6.632 CV     1
 ASSI { 1498}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 100  and name HN  ))
      3.300     1.400     1.400 peak  1498 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      9.228 ppm2      8.896 CV     1
 ASSI { 1499}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 98   and name HN  ))
      3.400     1.400     1.400 peak  1499 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      9.228 ppm2      8.427 CV     1
 ASSI { 1501}
   (( segid " 1SG" and resid 80   and name HN  ))
   (  segid " 1SG" and resid 83   and name HE% )
      3.000     1.100     1.100 peak  1501 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      5.580 ppm2      7.264 CV     1
 ASSI { 1503}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 34   and name HN  ))
      2.600     0.800     0.800 peak  1503 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      7.510 ppm2      8.687 CV     1
 ASSI { 1504}
   (( segid " 1SG" and resid 92   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.300     1.400     1.400 peak  1504 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      8.734 ppm2      0.473 CV     1
 ASSI { 1505}
   (( segid " 1SG" and resid 92   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG1%)
      2.300     2.300     3.700 peak  1505 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      8.735 ppm2     -0.083 CV     1
 ASSI { 1506}
   (( segid " 1SG" and resid 19   and name HN  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      3.000     1.100     1.100 peak  1506 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      9.827 ppm2      0.599 CV     1
 ASSI { 1507}
   (( segid " 1SG" and resid 42   and name HN  ))
   (  segid " 1SG" and resid 49   and name HD2%)
      3.300     1.400     1.400 peak  1507 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      9.445 ppm2      1.011 CV     1
 ASSI { 1510}
   (( segid " 1SG" and resid 42   and name HN  ))
   (( segid " 1SG" and resid 41   and name HB2 ))
      3.300     1.400     1.400 peak  1510 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      9.448 ppm2      3.149 CV     1
 ASSI { 1511}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 103  and name HD21))
      2.900     1.100     1.100 peak  1511 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      9.241 ppm2      7.722 CV     1
 ASSI { 1513}
   (( segid " 1SG" and resid 79   and name HN  ))
   (  segid " 1SG" and resid 83   and name HE% )
      3.400     3.400     2.600 peak  1513 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      8.973 ppm2      7.265 CV     1
 ASSI { 1514}
   (( segid " 1SG" and resid 79   and name HN  ))
   (  segid " 1SG" and resid 83   and name HD% )
      3.600     1.600     1.600 peak  1514 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      8.973 ppm2      7.109 CV     1
 ASSI { 1515}
   (( segid " 1SG" and resid 79   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.200     1.300     1.300 peak  1515 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      8.973 ppm2      0.382 CV     1
 ASSI { 1518}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HD2 ))
      3.300     1.400     1.400 peak  1518 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      8.896 ppm2      3.106 CV     1
 OR { 1518}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HD1 ))
 ASSI { 1519}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 9    and name HG2 ))
      3.000     3.000     3.000 peak  1519 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      8.892 ppm2      2.504 CV     1
 ASSI { 1520}
   (( segid " 1SG" and resid 100  and name HN  ))
   (( segid " 1SG" and resid 89   and name HB2 ))
      2.900     1.000     1.000 peak  1520 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      8.895 ppm2      2.307 CV     1
 ASSI { 1521}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HG1 ))
      2.800     1.000     1.000 peak  1521 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      8.890 ppm2      1.675 CV     1
 OR { 1521}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HG2 ))
 ASSI { 1522}
   (( segid " 1SG" and resid 27   and name HN  ))
   (  segid " 1SG" and resid 28   and name HG2%)
      2.900     1.100     1.100 peak  1522 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      8.891 ppm2      0.632 CV     1
 ASSI { 1523}
   (( segid " 1SG" and resid 94   and name HN  ))
   (( segid " 1SG" and resid 93   and name HB  ))
      2.600     0.900     0.900 peak  1523 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      8.338 ppm2      4.555 CV     1
 ASSI { 1526}
   (( segid " 1SG" and resid 17   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.000     3.000     3.000 peak  1526 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      7.898 ppm2      0.371 CV     1
 ASSI { 1527}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 61   and name HB2 ))
      2.300     2.300     3.700 peak  1527 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      9.450 ppm2      2.295 CV     1
 ASSI { 1530}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 60   and name HA  ))
      3.000     3.000     3.000 peak  1530 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      9.450 ppm2      5.073 CV     1
 ASSI { 1534}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 16   and name HB  ))
      3.300     3.300     2.700 peak  1534 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      8.502 ppm2      1.802 CV     1
 ASSI { 1535}
   (( segid " 1SG" and resid 38   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG2%)
      3.100     1.200     1.200 peak  1535 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      8.374 ppm2     -0.453 CV     1
 ASSI { 1537}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 68   and name HA  ))
      3.800     1.800     1.800 peak  1537 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      8.106 ppm2      3.600 CV     1
 ASSI { 1538}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 65   and name HD1 ))
      3.200     1.300     1.300 peak  1538 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      8.106 ppm2      3.228 CV     1
 OR { 1538}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 65   and name HD2 ))
 ASSI { 1539}
   (( segid " 1SG" and resid 84   and name HN  ))
   (  segid " 1SG" and resid 83   and name HD% )
      3.400     1.500     1.500 peak  1539 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      7.866 ppm2      7.112 CV     1
 ASSI { 1540}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 74   and name HA  ))
      3.400     1.400     1.400 peak  1540 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      8.940 ppm2      4.324 CV     1
 ASSI { 1542}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 22   and name HG12))
      3.400     3.400     2.600 peak  1542 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      8.888 ppm2      0.075 CV     1
 ASSI { 1543}
   (( segid " 1SG" and resid 104  and name HN  ))
   (  segid " 1SG" and resid 106  and name HG1%)
      3.200     3.200     2.800 peak  1543 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      8.793 ppm2      0.667 CV     1
 ASSI { 1549}
   (( segid " 1SG" and resid 26   and name HN  ))
   (( segid " 1SG" and resid 27   and name HN  ))
      3.200     1.300     1.300 peak  1549 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      9.498 ppm2      8.892 CV     1
 ASSI { 1550}
   (( segid " 1SG" and resid 26   and name HN  ))
   (  segid " 1SG" and resid 72   and name HD% )
      3.300     3.300     2.700 peak  1550 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      9.498 ppm2      7.311 CV     1
 ASSI { 1552}
   (( segid " 1SG" and resid 41   and name HN  ))
   (  segid " 1SG" and resid 49   and name HD2%)
      3.600     1.600     1.600 peak  1552 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      9.306 ppm2      1.018 CV     1
 ASSI { 1553}
   (( segid " 1SG" and resid 41   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD1%)
      3.100     1.200     1.200 peak  1553 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      9.307 ppm2      0.856 CV     1
 ASSI { 1554}
   (( segid " 1SG" and resid 41   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD2%)
      3.500     1.500     1.500 peak  1554 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      9.307 ppm2      0.688 CV     1
 ASSI { 1555}
   (( segid " 1SG" and resid 41   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG1%)
      3.000     3.000     3.000 peak  1555 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      9.308 ppm2     -0.081 CV     1
 ASSI { 1557}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 74   and name HB2 ))
      2.300     0.700     0.700 peak  1557 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      9.237 ppm2     -0.838 CV     1
 ASSI { 1560}
   (( segid " 1SG" and resid 76   and name HN  ))
   (  segid " 1SG" and resid 76   and name HD1%)
      3.300     1.400     1.400 peak  1560 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      8.926 ppm2      0.649 CV     1
 ASSI { 1561}
   (( segid " 1SG" and resid 76   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD1%)
      3.300     3.300     2.700 peak  1561 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      8.926 ppm2      0.405 CV     1
 ASSI { 1563}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 90   and name HB2 ))
      3.200     1.300     1.300 peak  1563 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      8.696 ppm2      2.025 CV     1
 ASSI { 1564}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 40   and name HD1 ))
      3.500     1.500     1.500 peak  1564 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      8.694 ppm2      1.685 CV     1
 OR { 1564}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 40   and name HD2 ))
 ASSI { 1565}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 40   and name HG2 ))
      2.500     0.800     0.800 peak  1565 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      8.694 ppm2      1.238 CV     1
 OR { 1565}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 40   and name HG1 ))
 ASSI { 1566}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 41   and name HH2 ))
      2.800     2.800     3.200 peak  1566 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      8.470 ppm2      6.611 CV     1
 ASSI { 1568}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 24   and name HB2 ))
      2.900     1.100     1.100 peak  1568 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      8.469 ppm2      2.408 CV     1
 ASSI { 1570}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 75   and name HN  ))
      3.300     1.400     1.400 peak  1570 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      8.471 ppm2      9.160 CV     1
 ASSI { 1572}
   (( segid " 1SG" and resid 8    and name HN  ))
   (  segid " 1SG" and resid 28   and name HG1%)
      3.300     1.300     1.300 peak  1572 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      9.052 ppm2      0.818 CV     1
 ASSI { 1573}
   (( segid " 1SG" and resid 8    and name HN  ))
   (  segid " 1SG" and resid 29   and name HB% )
      3.400     1.400     1.400 peak  1573 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      9.052 ppm2      1.513 CV     1
 ASSI { 1574}
   (( segid " 1SG" and resid 8    and name HN  ))
   (( segid " 1SG" and resid 7    and name HB2 ))
      3.600     1.600     1.600 peak  1574 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      9.052 ppm2      2.577 CV     1
 ASSI { 1576}
   (( segid " 1SG" and resid 87   and name HN  ))
   (  segid " 1SG" and resid 87   and name HE% )
      3.600     1.600     1.600 peak  1576 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      9.114 ppm2      6.589 CV     1
 ASSI { 1577}
   (( segid " 1SG" and resid 31   and name HN  ))
   (( segid " 1SG" and resid 29   and name HA  ))
      3.000     1.100     1.100 peak  1577 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      8.417 ppm2      4.392 CV     1
 ASSI { 1578}
   (( segid " 1SG" and resid 31   and name HN  ))
   (( segid " 1SG" and resid 30   and name HA1 ))
      2.700     0.900     0.900 peak  1578 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      8.418 ppm2      3.945 CV     1
 ASSI { 1579}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 62   and name HA  ))
      3.100     1.200     1.200 peak  1579 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      8.722 ppm2      4.598 CV     1
 ASSI { 1582}
   (( segid " 1SG" and resid 10   and name HN  ))
   (( segid " 1SG" and resid 9    and name HB2 ))
      3.400     1.500     1.500 peak  1582 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      8.852 ppm2      1.895 CV     1
 ASSI { 1583}
   (( segid " 1SG" and resid 10   and name HN  ))
   (( segid " 1SG" and resid 100  and name HB2 ))
      3.500     3.500     2.500 peak  1583 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      8.852 ppm2      2.963 CV     1
 ASSI { 1584}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (( segid " 1SG" and resid 41   and name HH2 ))
      3.500     1.500     1.500 peak  1584 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1     10.779 ppm2      6.612 CV     1
 ASSI { 1585}
   (( segid " 1SG" and resid 21   and name HN  ))
   (( segid " 1SG" and resid 21   and name HB2 ))
      3.000     1.100     1.100 peak  1585 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      8.170 ppm2      3.751 CV     1
 ASSI { 1586}
   (( segid " 1SG" and resid 23   and name HN  ))
   (  segid " 1SG" and resid 104  and name HD1%)
      3.600     1.600     1.600 peak  1586 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      7.914 ppm2      0.954 CV     1
 ASSI { 1587}
   (( segid " 1SG" and resid 23   and name HN  ))
   (  segid " 1SG" and resid 22   and name HG2%)
      3.200     1.300     1.300 peak  1587 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      7.913 ppm2      0.580 CV     1
 ASSI { 1588}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      2.600     0.900     0.900 peak  1588 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      9.673 ppm2      2.815 CV     1
 ASSI { 1589}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 37   and name HB2 ))
      2.900     2.900     3.100 peak  1589 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      7.892 ppm2      1.363 CV     1
 OR { 1589}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 37   and name HG2 ))
 ASSI { 1590}
   (( segid " 1SG" and resid 39   and name HN  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      3.300     1.300     1.300 peak  1590 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      7.893 ppm2      0.175 CV     1
 ASSI { 1592}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 93   and name HB  ))
      2.600     0.900     0.900 peak  1592 spectrum    1 weight  0.10000E+01 volume  0.36248E-02 ppm1      7.547 ppm2      4.555 CV     1
 ASSI { 1593}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 95   and name HB2 ))
      3.500     1.500     1.500 peak  1593 spectrum    1 weight  0.10000E+01 volume  0.36248E-02 ppm1      7.546 ppm2      2.632 CV     1
 ASSI { 1595}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 95   and name HA  ))
      2.900     1.000     1.000 peak  1595 spectrum    1 weight  0.10000E+01 volume  0.36248E-02 ppm1      7.548 ppm2      4.750 CV     1
 ASSI { 1596}
   (( segid " 1SG" and resid 98   and name HN  ))
   (( segid " 1SG" and resid 7    and name HB2 ))
      3.100     3.100     2.900 peak  1596 spectrum    1 weight  0.10000E+01 volume  0.36248E-02 ppm1      8.415 ppm2      2.581 CV     1
 ASSI { 1597}
   (( segid " 1SG" and resid 101  and name HN  ))
   (( segid " 1SG" and resid 100  and name HB2 ))
      2.800     1.000     1.000 peak  1597 spectrum    1 weight  0.10000E+01 volume  0.36248E-02 ppm1      9.044 ppm2      2.950 CV     1
 ASSI { 1598}
   (( segid " 1SG" and resid 105  and name HN  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      3.300     1.300     1.300 peak  1598 spectrum    1 weight  0.10000E+01 volume  0.36248E-02 ppm1      8.401 ppm2      1.492 CV     1
 ASSI { 1599}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 15   and name HG1 ))
      3.100     1.200     1.200 peak  1599 spectrum    1 weight  0.10000E+01 volume  0.36248E-02 ppm1      8.404 ppm2      2.261 CV     1
 OR { 1599}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 15   and name HG2 ))
 ASSI { 1600}
   (( segid " 1SG" and resid 98   and name HN  ))
   (( segid " 1SG" and resid 91   and name HA  ))
      2.300     2.300     3.700 peak  1600 spectrum    1 weight  0.10000E+01 volume  0.36248E-02 ppm1      8.399 ppm2      4.758 CV     1
 ASSI { 1602}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 105  and name HB  ))
      3.100     1.200     1.200 peak  1602 spectrum    1 weight  0.10000E+01 volume  0.36248E-02 ppm1      8.150 ppm2      3.935 CV     1
 ASSI { 1603}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 106  and name HB  ))
      3.600     1.600     1.600 peak  1603 spectrum    1 weight  0.10000E+01 volume  0.36248E-02 ppm1      8.820 ppm2      1.850 CV     1
 ASSI { 1605}
   (( segid " 1SG" and resid 38   and name HN  ))
   (  segid " 1SG" and resid 38   and name HG2%)
      2.700     0.900     0.900 peak  1605 spectrum    1 weight  0.10000E+01 volume  0.36248E-02 ppm1      8.373 ppm2      0.790 CV     1
 ASSI { 1606}
   (( segid " 1SG" and resid 19   and name HN  ))
   (( segid " 1SG" and resid 19   and name HA2 ))
      2.600     0.900     0.900 peak  1606 spectrum    1 weight  0.10000E+01 volume  0.36248E-02 ppm1      9.828 ppm2      4.311 CV     1
 ASSI { 1608}
   (( segid " 1SG" and resid 85   and name HN  ))
   (  segid " 1SG" and resid 87   and name HD% )
      3.400     3.400     2.600 peak  1608 spectrum    1 weight  0.10000E+01 volume  0.36248E-02 ppm1      9.409 ppm2      6.792 CV     1
 ASSI { 1613}
   (( segid " 1SG" and resid 28   and name HN  ))
   (  segid " 1SG" and resid 72   and name HD% )
      2.900     1.100     1.100 peak  1613 spectrum    1 weight  0.10000E+01 volume  0.36266E-02 ppm1      9.673 ppm2      7.309 CV     1
 ASSI { 1614}
   (( segid " 1SG" and resid 68   and name HN  ))
   (( segid " 1SG" and resid 66   and name HA  ))
      3.300     1.400     1.400 peak  1614 spectrum    1 weight  0.10000E+01 volume  0.36248E-02 ppm1      7.876 ppm2      4.125 CV     1
 ASSI {    1}
   (( segid " 1SG" and resid 43   and name HD2 ))
   (( segid " 1SG" and resid 43   and name HG2 ))
      2.100     0.600     0.600 peak     1 spectrum    1 weight  0.10000E+01 volume  0.86306E-02 ppm1      1.317 ppm2      0.086 CV     1
 OR {    1}
   (( segid " 1SG" and resid 43   and name HD1 ))
   (( segid " 1SG" and resid 43   and name HG2 ))
 ASSI {    2}
   (( segid " 1SG" and resid 41   and name HA  ))
   (( segid " 1SG" and resid 89   and name HA  ))
      2.000     0.500     0.500 peak     2 spectrum    1 weight  0.10000E+01 volume  0.86339E-02 ppm1      5.478 ppm2      4.971 CV     1
 ASSI {   16}
   (( segid " 1SG" and resid 65   and name HG1 ))
   (( segid " 1SG" and resid 65   and name HB2 ))
      2.100     0.500     0.500 peak    16 spectrum    1 weight  0.10000E+01 volume  0.86378E-02 ppm1      1.688 ppm2      1.765 CV     1
 OR {   16}
   (( segid " 1SG" and resid 65   and name HG2 ))
   (( segid " 1SG" and resid 65   and name HB1 ))
 OR {   16}
   (( segid " 1SG" and resid 65   and name HG2 ))
   (( segid " 1SG" and resid 65   and name HB2 ))
 OR {   16}
   (( segid " 1SG" and resid 65   and name HG1 ))
   (( segid " 1SG" and resid 65   and name HB1 ))
 ASSI {   41}
   (( segid " 1SG" and resid 41   and name HA  ))
   (( segid " 1SG" and resid 90   and name HB2 ))
      2.400     2.400     3.600 peak    41 spectrum    1 weight  0.10000E+01 volume  0.85155E-02 ppm1      5.495 ppm2      2.057 CV     1
 ASSI {   98}
   (( segid " 1SG" and resid 87   and name HA  ))
   (( segid " 1SG" and resid 43   and name HA  ))
      2.000     0.500     0.500 peak    98 spectrum    1 weight  0.10000E+01 volume  0.85155E-02 ppm1      4.980 ppm2      4.145 CV     1
 ASSI {  113}
   (( segid " 1SG" and resid 61   and name HA  ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      2.500     2.500     3.500 peak   113 spectrum    1 weight  0.10000E+01 volume  0.85155E-02 ppm1      5.518 ppm2      2.821 CV     1
 ASSI {  131}
   (( segid " 1SG" and resid 1    and name HA  ))
   (( segid " 1SG" and resid 97   and name HB2 ))
      2.300     2.300     3.700 peak   131 spectrum    1 weight  0.10000E+01 volume  0.85299E-02 ppm1      4.624 ppm2      2.693 CV     1
 ASSI {  159}
   (  segid " 1SG" and resid 93   and name HG2%)
   (( segid " 1SG" and resid 37   and name HA  ))
      2.000     0.500     0.500 peak   159 spectrum    1 weight  0.10000E+01 volume  0.86169E-02 ppm1      1.041 ppm2      4.505 CV     1
 ASSI {  173}
   (( segid " 1SG" and resid 92   and name HB2 ))
   (( segid " 1SG" and resid 38   and name HA  ))
      1.600     1.600     4.400 peak   173 spectrum    1 weight  0.10000E+01 volume  0.24126E-01 ppm1      3.883 ppm2      3.881 CV     1
 OR {  173}
   (( segid " 1SG" and resid 92   and name HB1 ))
   (( segid " 1SG" and resid 38   and name HA  ))
 ASSI {  174}
   (( segid " 1SG" and resid 72   and name HB2 ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      2.000     2.000     4.000 peak   174 spectrum    1 weight  0.10000E+01 volume  0.23663E-01 ppm1      2.926 ppm2      2.791 CV     1
 ASSI {  175}
   (( segid " 1SG" and resid 32   and name HA  ))
   (( segid " 1SG" and resid 32   and name HB1 ))
      2.200     0.600     0.600 peak   175 spectrum    1 weight  0.10000E+01 volume  0.85299E-02 ppm1      4.518 ppm2      3.914 CV     1
 OR {  175}
   (( segid " 1SG" and resid 32   and name HA  ))
   (( segid " 1SG" and resid 32   and name HB2 ))
 ASSI {  183}
   (( segid " 1SG" and resid 74   and name HA  ))
   (( segid " 1SG" and resid 59   and name HA  ))
      2.000     0.500     0.500 peak   183 spectrum    1 weight  0.10000E+01 volume  0.85299E-02 ppm1      4.344 ppm2      5.189 CV     1
 ASSI {  185}
   (( segid " 1SG" and resid 74   and name HA  ))
   (  segid " 1SG" and resid 74   and name HD2%)
      2.100     0.600     0.600 peak   185 spectrum    1 weight  0.10000E+01 volume  0.85299E-02 ppm1      4.326 ppm2      0.405 CV     1
 OR {  185}
   (( segid " 1SG" and resid 74   and name HA  ))
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI {  194}
   (( segid " 1SG" and resid 34   and name HA  ))
   (( segid " 1SG" and resid 34   and name HG  ))
      2.200     0.600     0.600 peak   194 spectrum    1 weight  0.10000E+01 volume  0.85332E-02 ppm1      4.298 ppm2      0.929 CV     1
 ASSI {  226}
   (( segid " 1SG" and resid 17   and name HA  ))
   (( segid " 1SG" and resid 107  and name HB1 ))
      2.100     2.100     3.900 peak   226 spectrum    1 weight  0.10000E+01 volume  0.85391E-02 ppm1      4.795 ppm2      3.074 CV     1
 OR {  226}
   (( segid " 1SG" and resid 17   and name HA  ))
   (( segid " 1SG" and resid 107  and name HB2 ))
 ASSI {  253}
   (( segid " 1SG" and resid 55   and name HG2 ))
   (( segid " 1SG" and resid 55   and name HB2 ))
      1.900     0.500     0.500 peak   253 spectrum    1 weight  0.10000E+01 volume  0.16558E-01 ppm1      1.989 ppm2      1.788 CV     1
 OR {  253}
   (( segid " 1SG" and resid 55   and name HG1 ))
   (( segid " 1SG" and resid 55   and name HB2 ))
 ASSI {  275}
   (( segid " 1SG" and resid 81   and name HB2 ))
   (( segid " 1SG" and resid 81   and name HA  ))
      2.300     0.600     0.600 peak   275 spectrum    1 weight  0.10000E+01 volume  0.85449E-02 ppm1      1.927 ppm2      4.000 CV     1
 ASSI {  282}
   (  segid " 1SG" and resid 84   and name HG2%)
   (( segid " 1SG" and resid 84   and name HB  ))
      2.000     0.500     0.500 peak   282 spectrum    1 weight  0.10000E+01 volume  0.14095E-01 ppm1      1.497 ppm2      4.224 CV     1
 OR {  282}
   (  segid " 1SG" and resid 84   and name HG2%)
   (( segid " 1SG" and resid 84   and name HA  ))
 ASSI {  287}
   (( segid " 1SG" and resid 94   and name HG1 ))
   (( segid " 1SG" and resid 94   and name HD1 ))
      1.800     0.400     0.400 peak   287 spectrum    1 weight  0.10000E+01 volume  0.13749E-01 ppm1      1.417 ppm2      1.679 CV     1
 OR {  287}
   (( segid " 1SG" and resid 94   and name HG2 ))
   (( segid " 1SG" and resid 94   and name HD2 ))
 OR {  287}
   (( segid " 1SG" and resid 94   and name HG2 ))
   (( segid " 1SG" and resid 94   and name HD1 ))
 OR {  287}
   (( segid " 1SG" and resid 94   and name HG1 ))
   (( segid " 1SG" and resid 94   and name HD2 ))
 ASSI {  302}
   (  segid " 1SG" and resid 4    and name HD1%)
   (( segid " 1SG" and resid 4    and name HB  ))
      2.000     0.500     0.500 peak   302 spectrum    1 weight  0.10000E+01 volume  0.85476E-02 ppm1      0.966 ppm2      2.051 CV     1
 ASSI {  313}
   (  segid " 1SG" and resid 66   and name HB% )
   (( segid " 1SG" and resid 66   and name HA  ))
      2.100     0.500     0.500 peak   313 spectrum    1 weight  0.10000E+01 volume  0.11879E-01 ppm1      1.419 ppm2      4.132 CV     1
 ASSI {  328}
   (( segid " 1SG" and resid 34   and name HG  ))
   (  segid " 1SG" and resid 34   and name HD1%)
      2.100     0.600     0.600 peak   328 spectrum    1 weight  0.10000E+01 volume  0.85626E-02 ppm1      0.934 ppm2      0.862 CV     1
 OR {  328}
   (( segid " 1SG" and resid 34   and name HG  ))
   (  segid " 1SG" and resid 34   and name HD2%)
 ASSI {  335}
   (( segid " 1SG" and resid 3    and name HB2 ))
   (( segid " 1SG" and resid 4    and name HB  ))
      2.500     2.500     3.500 peak   335 spectrum    1 weight  0.10000E+01 volume  0.10818E-01 ppm1      2.299 ppm2      2.004 CV     1
 OR {  335}
   (( segid " 1SG" and resid 3    and name HB1 ))
   (( segid " 1SG" and resid 4    and name HB  ))
 ASSI {  336}
   (( segid " 1SG" and resid 68   and name HD1 ))
   (( segid " 1SG" and resid 68   and name HB2 ))
      2.000     0.500     0.500 peak   336 spectrum    1 weight  0.10000E+01 volume  0.85626E-02 ppm1      1.673 ppm2      1.771 CV     1
 OR {  336}
   (( segid " 1SG" and resid 68   and name HD2 ))
   (( segid " 1SG" and resid 68   and name HB2 ))
 ASSI {  342}
   (( segid " 1SG" and resid 36   and name HB2 ))
   (( segid " 1SG" and resid 36   and name HD2 ))
      2.100     2.100     3.900 peak   342 spectrum    1 weight  0.10000E+01 volume  0.85626E-02 ppm1      1.641 ppm2      3.510 CV     1
 ASSI {  345}
   (  segid " 1SG" and resid 69   and name HG1%)
   (( segid " 1SG" and resid 69   and name HB  ))
      2.100     0.500     0.500 peak   345 spectrum    1 weight  0.10000E+01 volume  0.10576E-01 ppm1      0.862 ppm2      1.752 CV     1
 OR {  345}
   (  segid " 1SG" and resid 69   and name HG2%)
   (( segid " 1SG" and resid 69   and name HB  ))
 ASSI {  349}
   (  segid " 1SG" and resid 82   and name HB% )
   (( segid " 1SG" and resid 82   and name HA  ))
      2.100     0.600     0.600 peak   349 spectrum    1 weight  0.10000E+01 volume  0.10355E-01 ppm1      1.321 ppm2      4.210 CV     1
 ASSI {  353}
   (  segid " 1SG" and resid 16   and name HG1%)
   (  segid " 1SG" and resid 16   and name HG2%)
      2.100     0.600     0.600 peak   353 spectrum    1 weight  0.10000E+01 volume  0.10285E-01 ppm1      0.980 ppm2      0.628 CV     1
 ASSI {  354}
   (( segid " 1SG" and resid 21   and name HB2 ))
   (( segid " 1SG" and resid 23   and name HB  ))
      2.200     2.200     3.800 peak   354 spectrum    1 weight  0.10000E+01 volume  0.10228E-01 ppm1      3.720 ppm2      3.604 CV     1
 ASSI {  356}
   (( segid " 1SG" and resid 104  and name HG  ))
   (( segid " 1SG" and resid 104  and name HB2 ))
      2.000     2.000     4.000 peak   356 spectrum    1 weight  0.10000E+01 volume  0.85626E-02 ppm1      1.339 ppm2      1.226 CV     1
 ASSI {  358}
   (( segid " 1SG" and resid 65   and name HD2 ))
   (( segid " 1SG" and resid 65   and name HG1 ))
      2.000     0.500     0.500 peak   358 spectrum    1 weight  0.10000E+01 volume  0.10118E-01 ppm1      3.238 ppm2      1.683 CV     1
 OR {  358}
   (( segid " 1SG" and resid 65   and name HD1 ))
   (( segid " 1SG" and resid 65   and name HG1 ))
 OR {  358}
   (( segid " 1SG" and resid 65   and name HD2 ))
   (( segid " 1SG" and resid 65   and name HG2 ))
 OR {  358}
   (( segid " 1SG" and resid 65   and name HD1 ))
   (( segid " 1SG" and resid 65   and name HG2 ))
 ASSI {  359}
   (( segid " 1SG" and resid 104  and name HG  ))
   (  segid " 1SG" and resid 104  and name HD2%)
      2.000     0.500     0.500 peak   359 spectrum    1 weight  0.10000E+01 volume  0.85626E-02 ppm1      1.342 ppm2      0.832 CV     1
 ASSI {  363}
   (  segid " 1SG" and resid 8    and name HG2%)
   (( segid " 1SG" and resid 8    and name HB  ))
      2.000     0.500     0.500 peak   363 spectrum    1 weight  0.10000E+01 volume  0.99940E-02 ppm1      0.979 ppm2      1.824 CV     1
 OR {  363}
   (  segid " 1SG" and resid 8    and name HG1%)
   (( segid " 1SG" and resid 8    and name HB  ))
 ASSI {  364}
   (( segid " 1SG" and resid 59   and name HG  ))
   (  segid " 1SG" and resid 59   and name HD2%)
      2.000     0.500     0.500 peak   364 spectrum    1 weight  0.10000E+01 volume  0.85626E-02 ppm1      1.424 ppm2      0.682 CV     1
 ASSI {  375}
   (( segid " 1SG" and resid 4    and name HG12))
   (  segid " 1SG" and resid 4    and name HG2%)
      2.000     0.500     0.500 peak   375 spectrum    1 weight  0.10000E+01 volume  0.85626E-02 ppm1      1.245 ppm2      0.917 CV     1
 ASSI {  377}
   (  segid " 1SG" and resid 71   and name HD2%)
   (  segid " 1SG" and resid 71   and name HD1%)
      2.100     0.600     0.600 peak   377 spectrum    1 weight  0.10000E+01 volume  0.96891E-02 ppm1      0.746 ppm2      0.857 CV     1
 ASSI {  384}
   (( segid " 1SG" and resid 81   and name HD2 ))
   (  segid " 1SG" and resid 18   and name HG1%)
      2.600     0.800     0.800 peak   384 spectrum    1 weight  0.10000E+01 volume  0.85659E-02 ppm1      3.587 ppm2      0.967 CV     1
 OR {  384}
   (( segid " 1SG" and resid 81   and name HD2 ))
   (  segid " 1SG" and resid 18   and name HG2%)
 ASSI {  385}
   (( segid " 1SG" and resid 71   and name HB2 ))
   (  segid " 1SG" and resid 8    and name HG2%)
      1.900     1.900     4.100 peak   385 spectrum    1 weight  0.10000E+01 volume  0.85659E-02 ppm1      1.327 ppm2      0.929 CV     1
 OR {  385}
   (( segid " 1SG" and resid 71   and name HB2 ))
   (  segid " 1SG" and resid 8    and name HG1%)
 ASSI {  388}
   (( segid " 1SG" and resid 34   and name HG  ))
   (( segid " 1SG" and resid 34   and name HB1 ))
      2.100     0.600     0.600 peak   388 spectrum    1 weight  0.10000E+01 volume  0.93928E-02 ppm1      0.935 ppm2      1.675 CV     1
 OR {  388}
   (( segid " 1SG" and resid 34   and name HG  ))
   (( segid " 1SG" and resid 34   and name HB2 ))
 ASSI {  403}
   (  segid " 1SG" and resid 34   and name HD2%)
   (( segid " 1SG" and resid 34   and name HB1 ))
      2.200     0.600     0.600 peak   403 spectrum    1 weight  0.10000E+01 volume  0.91573E-02 ppm1      0.863 ppm2      1.651 CV     1
 OR {  403}
   (  segid " 1SG" and resid 34   and name HD1%)
   (( segid " 1SG" and resid 34   and name HB2 ))
 OR {  403}
   (  segid " 1SG" and resid 34   and name HD2%)
   (( segid " 1SG" and resid 34   and name HB2 ))
 OR {  403}
   (  segid " 1SG" and resid 34   and name HD1%)
   (( segid " 1SG" and resid 34   and name HB1 ))
 ASSI {  404}
   (  segid " 1SG" and resid 33   and name HD1%)
   (( segid " 1SG" and resid 33   and name HB2 ))
      2.300     0.600     0.600 peak   404 spectrum    1 weight  0.10000E+01 volume  0.91121E-02 ppm1      0.873 ppm2      1.725 CV     1
 OR {  404}
   (  segid " 1SG" and resid 33   and name HD2%)
   (( segid " 1SG" and resid 33   and name HB2 ))
 ASSI {  405}
   (( segid " 1SG" and resid 96   and name HB2 ))
   (  segid " 1SG" and resid 6    and name HD2%)
      2.300     0.600     0.600 peak   405 spectrum    1 weight  0.10000E+01 volume  0.85659E-02 ppm1      1.583 ppm2      0.481 CV     1
 ASSI {  414}
   (( segid " 1SG" and resid 33   and name HB2 ))
   (( segid " 1SG" and resid 33   and name HG  ))
      2.000     0.500     0.500 peak   414 spectrum    1 weight  0.10000E+01 volume  0.85777E-02 ppm1      1.739 ppm2      0.923 CV     1
 ASSI {  415}
   (  segid " 1SG" and resid 31   and name HB% )
   (( segid " 1SG" and resid 31   and name HA  ))
      2.100     0.600     0.600 peak   415 spectrum    1 weight  0.10000E+01 volume  0.89433E-02 ppm1      1.537 ppm2      4.174 CV     1
 ASSI {  416}
   (( segid " 1SG" and resid 2    and name HB2 ))
   (( segid " 1SG" and resid 1    and name HB2 ))
      2.500     2.500     3.500 peak   416 spectrum    1 weight  0.10000E+01 volume  0.85777E-02 ppm1      2.691 ppm2      2.601 CV     1
 ASSI {  419}
   (( segid " 1SG" and resid 1    and name HB2 ))
   (( segid " 1SG" and resid 97   and name HB2 ))
      2.500     2.500     3.500 peak   419 spectrum    1 weight  0.10000E+01 volume  0.85777E-02 ppm1      2.599 ppm2      2.691 CV     1
 ASSI {  420}
   (  segid " 1SG" and resid 105  and name HG2%)
   (( segid " 1SG" and resid 105  and name HB  ))
      2.100     2.100     3.900 peak   420 spectrum    1 weight  0.10000E+01 volume  0.88262E-02 ppm1      0.923 ppm2      3.904 CV     1
 ASSI {  425}
   (  segid " 1SG" and resid 76   and name HD1%)
   (  segid " 1SG" and resid 76   and name HG2%)
      2.100     0.500     0.500 peak   425 spectrum    1 weight  0.10000E+01 volume  0.86928E-02 ppm1      0.678 ppm2      0.829 CV     1
 ASSI {  427}
   (  segid " 1SG" and resid 59   and name HD1%)
   (  segid " 1SG" and resid 59   and name HD2%)
      2.100     0.600     0.600 peak   427 spectrum    1 weight  0.10000E+01 volume  0.86261E-02 ppm1      0.863 ppm2      0.716 CV     1
 ASSI {  435}
   (( segid " 1SG" and resid 94   and name HE1 ))
   (( segid " 1SG" and resid 94   and name HD1 ))
      2.000     0.500     0.500 peak   435 spectrum    1 weight  0.10000E+01 volume  0.84612E-02 ppm1      2.967 ppm2      1.689 CV     1
 OR {  435}
   (( segid " 1SG" and resid 94   and name HE2 ))
   (( segid " 1SG" and resid 94   and name HD2 ))
 OR {  435}
   (( segid " 1SG" and resid 94   and name HE1 ))
   (( segid " 1SG" and resid 94   and name HD2 ))
 OR {  435}
   (( segid " 1SG" and resid 94   and name HE2 ))
   (( segid " 1SG" and resid 94   and name HD1 ))
 ASSI {  438}
   (( segid " 1SG" and resid 108  and name HG2 ))
   (  segid " 1SG" and resid 18   and name HG2%)
      2.200     0.600     0.600 peak   438 spectrum    1 weight  0.10000E+01 volume  0.85914E-02 ppm1      2.209 ppm2      0.961 CV     1
 OR {  438}
   (( segid " 1SG" and resid 108  and name HG1 ))
   (  segid " 1SG" and resid 18   and name HG2%)
 ASSI {  443}
   (  segid " 1SG" and resid 106  and name HG2%)
   (  segid " 1SG" and resid 106  and name HG1%)
      2.100     0.600     0.600 peak   443 spectrum    1 weight  0.10000E+01 volume  0.82414E-02 ppm1      0.390 ppm2      0.692 CV     1
 ASSI {  458}
   (  segid " 1SG" and resid 23   and name HG2%)
   (( segid " 1SG" and resid 23   and name HB  ))
      2.200     0.600     0.600 peak   458 spectrum    1 weight  0.10000E+01 volume  0.79850E-02 ppm1      0.783 ppm2      3.578 CV     1
 ASSI {  460}
   (( segid " 1SG" and resid 50   and name HB2 ))
   (( segid " 1SG" and resid 50   and name HA  ))
      2.100     0.600     0.600 peak   460 spectrum    1 weight  0.10000E+01 volume  0.85914E-02 ppm1      4.031 ppm2      3.944 CV     1
 ASSI {  463}
   (( segid " 1SG" and resid 35   and name HE2 ))
   (( segid " 1SG" and resid 35   and name HD1 ))
      2.100     0.600     0.600 peak   463 spectrum    1 weight  0.10000E+01 volume  0.77959E-02 ppm1      2.950 ppm2      1.649 CV     1
 OR {  463}
   (( segid " 1SG" and resid 35   and name HE1 ))
   (( segid " 1SG" and resid 35   and name HD2 ))
 OR {  463}
   (( segid " 1SG" and resid 35   and name HE2 ))
   (( segid " 1SG" and resid 35   and name HD2 ))
 OR {  463}
   (( segid " 1SG" and resid 35   and name HE1 ))
   (( segid " 1SG" and resid 35   and name HD1 ))
 ASSI {  464}
   (( segid " 1SG" and resid 4    and name HA  ))
   (  segid " 1SG" and resid 4    and name HG2%)
      2.200     0.600     0.600 peak   464 spectrum    1 weight  0.10000E+01 volume  0.85914E-02 ppm1      4.027 ppm2      0.915 CV     1
 ASSI {  478}
   (  segid " 1SG" and resid 84   and name HG2%)
   (( segid " 1SG" and resid 105  and name HA  ))
      2.200     0.600     0.600 peak   478 spectrum    1 weight  0.10000E+01 volume  0.75087E-02 ppm1      1.498 ppm2      4.518 CV     1
 ASSI {  480}
   (( segid " 1SG" and resid 17   and name HB  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      2.200     0.600     0.600 peak   480 spectrum    1 weight  0.10000E+01 volume  0.74826E-02 ppm1      4.089 ppm2      1.298 CV     1
 ASSI {  482}
   (  segid " 1SG" and resid 34   and name HD1%)
   (( segid " 1SG" and resid 34   and name HA  ))
      2.300     0.700     0.700 peak   482 spectrum    1 weight  0.10000E+01 volume  0.74328E-02 ppm1      0.863 ppm2      4.298 CV     1
 OR {  482}
   (  segid " 1SG" and resid 34   and name HD2%)
   (( segid " 1SG" and resid 34   and name HA  ))
 ASSI {  483}
   (  segid " 1SG" and resid 104  and name HD1%)
   (  segid " 1SG" and resid 16   and name HG2%)
      2.100     0.500     0.500 peak   483 spectrum    1 weight  0.10000E+01 volume  0.74269E-02 ppm1      0.982 ppm2      0.618 CV     1
 ASSI {  485}
   (  segid " 1SG" and resid 6    and name HD1%)
   (  segid " 1SG" and resid 6    and name HD2%)
      2.100     0.600     0.600 peak   485 spectrum    1 weight  0.10000E+01 volume  0.73648E-02 ppm1      0.674 ppm2      0.488 CV     1
 ASSI {  492}
   (  segid " 1SG" and resid 18   and name HG2%)
   (  segid " 1SG" and resid 106  and name HG2%)
      2.100     0.600     0.600 peak   492 spectrum    1 weight  0.10000E+01 volume  0.72824E-02 ppm1      0.966 ppm2      0.388 CV     1
 ASSI {  500}
   (( segid " 1SG" and resid 49   and name HG  ))
   (  segid " 1SG" and resid 49   and name HD1%)
      1.900     0.500     0.500 peak   500 spectrum    1 weight  0.10000E+01 volume  0.86339E-02 ppm1      0.799 ppm2      1.765 CV     1
 ASSI {  501}
   (  segid " 1SG" and resid 91   and name HG2%)
   (( segid " 1SG" and resid 37   and name HB2 ))
      2.100     0.500     0.500 peak   501 spectrum    1 weight  0.10000E+01 volume  0.85947E-02 ppm1      0.184 ppm2      1.380 CV     1
 OR {  501}
   (  segid " 1SG" and resid 91   and name HG2%)
   (( segid " 1SG" and resid 37   and name HG2 ))
 ASSI {  504}
   (  segid " 1SG" and resid 69   and name HG1%)
   (( segid " 1SG" and resid 69   and name HA  ))
      2.100     0.600     0.600 peak   504 spectrum    1 weight  0.10000E+01 volume  0.71280E-02 ppm1      0.862 ppm2      4.593 CV     1
 OR {  504}
   (  segid " 1SG" and resid 69   and name HG2%)
   (( segid " 1SG" and resid 69   and name HA  ))
 ASSI {  507}
   (  segid " 1SG" and resid 38   and name HG2%)
   (( segid " 1SG" and resid 38   and name HB  ))
      2.200     0.600     0.600 peak   507 spectrum    1 weight  0.10000E+01 volume  0.70933E-02 ppm1      0.828 ppm2      1.896 CV     1
 OR {  507}
   (  segid " 1SG" and resid 38   and name HG1%)
   (( segid " 1SG" and resid 38   and name HB  ))
 ASSI {  511}
   (( segid " 1SG" and resid 77   and name HB  ))
   (  segid " 1SG" and resid 77   and name HG2%)
      2.100     0.600     0.600 peak   511 spectrum    1 weight  0.10000E+01 volume  0.70704E-02 ppm1      4.025 ppm2      1.045 CV     1
 ASSI {  515}
   (  segid " 1SG" and resid 47   and name HG2%)
   (  segid " 1SG" and resid 47   and name HG1%)
      2.300     0.600     0.600 peak   515 spectrum    1 weight  0.10000E+01 volume  0.70403E-02 ppm1      0.794 ppm2      0.992 CV     1
 ASSI {  522}
   (  segid " 1SG" and resid 39   and name HG1%)
   (  segid " 1SG" and resid 39   and name HG2%)
      2.200     0.600     0.600 peak   522 spectrum    1 weight  0.10000E+01 volume  0.69442E-02 ppm1     -0.062 ppm2     -0.447 CV     1
 ASSI {  524}
   (( segid " 1SG" and resid 52   and name HD1 ))
   (( segid " 1SG" and resid 52   and name HG2 ))
      2.100     0.600     0.600 peak   524 spectrum    1 weight  0.10000E+01 volume  0.69193E-02 ppm1      1.579 ppm2      1.341 CV     1
 OR {  524}
   (( segid " 1SG" and resid 52   and name HD2 ))
   (( segid " 1SG" and resid 52   and name HG1 ))
 OR {  524}
   (( segid " 1SG" and resid 52   and name HD2 ))
   (( segid " 1SG" and resid 52   and name HG2 ))
 OR {  524}
   (( segid " 1SG" and resid 52   and name HD1 ))
   (( segid " 1SG" and resid 52   and name HG1 ))
 ASSI {  527}
   (( segid " 1SG" and resid 49   and name HG  ))
   (  segid " 1SG" and resid 59   and name HD1%)
      2.600     2.600     3.400 peak   527 spectrum    1 weight  0.10000E+01 volume  0.85973E-02 ppm1      0.848 ppm2      0.850 CV     1
 ASSI {  528}
   (( segid " 1SG" and resid 49   and name HG  ))
   (( segid " 1SG" and resid 49   and name HB2 ))
      2.100     2.100     3.900 peak   528 spectrum    1 weight  0.10000E+01 volume  0.85973E-02 ppm1      0.849 ppm2      1.542 CV     1
 ASSI {  536}
   (  segid " 1SG" and resid 38   and name HG1%)
   (( segid " 1SG" and resid 38   and name HA  ))
      2.200     0.600     0.600 peak   536 spectrum    1 weight  0.10000E+01 volume  0.68290E-02 ppm1      0.835 ppm2      3.900 CV     1
 OR {  536}
   (  segid " 1SG" and resid 38   and name HG2%)
   (( segid " 1SG" and resid 38   and name HA  ))
 ASSI {  541}
   (  segid " 1SG" and resid 59   and name HD2%)
   (  segid " 1SG" and resid 74   and name HD2%)
      2.300     0.700     0.700 peak   541 spectrum    1 weight  0.10000E+01 volume  0.68166E-02 ppm1      0.714 ppm2      0.412 CV     1
 OR {  541}
   (  segid " 1SG" and resid 59   and name HD2%)
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI {  544}
   (( segid " 1SG" and resid 54   and name HA1 ))
   (( segid " 1SG" and resid 54   and name HA2 ))
      2.000     0.500     0.500 peak   544 spectrum    1 weight  0.10000E+01 volume  0.68042E-02 ppm1      3.915 ppm2      4.302 CV     1
 ASSI {  547}
   (  segid " 1SG" and resid 33   and name HD2%)
   (( segid " 1SG" and resid 33   and name HA  ))
      2.500     0.800     0.800 peak   547 spectrum    1 weight  0.10000E+01 volume  0.67786E-02 ppm1      0.873 ppm2      4.455 CV     1
 OR {  547}
   (  segid " 1SG" and resid 33   and name HD1%)
   (( segid " 1SG" and resid 33   and name HA  ))
 ASSI {  548}
   (  segid " 1SG" and resid 28   and name HG1%)
   (  segid " 1SG" and resid 29   and name HB% )
      2.400     2.400     3.600 peak   548 spectrum    1 weight  0.10000E+01 volume  0.85973E-02 ppm1      0.819 ppm2      1.521 CV     1
 ASSI {  557}
   (  segid " 1SG" and resid 59   and name HD1%)
   (  segid " 1SG" and resid 57   and name HD1%)
      2.700     0.900     0.900 peak   557 spectrum    1 weight  0.10000E+01 volume  0.66341E-02 ppm1      0.824 ppm2      0.604 CV     1
 OR {  557}
   (  segid " 1SG" and resid 59   and name HD1%)
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI {  558}
   (  segid " 1SG" and resid 29   and name HB% )
   (( segid " 1SG" and resid 29   and name HA  ))
      2.200     0.600     0.600 peak   558 spectrum    1 weight  0.10000E+01 volume  0.66125E-02 ppm1      1.520 ppm2      4.393 CV     1
 ASSI {  563}
   (  segid " 1SG" and resid 104  and name HD2%)
   (  segid " 1SG" and resid 106  and name HG1%)
      2.300     0.600     0.600 peak   563 spectrum    1 weight  0.10000E+01 volume  0.65054E-02 ppm1      0.837 ppm2      0.684 CV     1
 ASSI {  571}
   (  segid " 1SG" and resid 93   and name HG2%)
   (( segid " 1SG" and resid 93   and name HB  ))
      2.100     0.600     0.600 peak   571 spectrum    1 weight  0.10000E+01 volume  0.64393E-02 ppm1      1.040 ppm2      4.557 CV     1
 ASSI {  572}
   (  segid " 1SG" and resid 104  and name HD2%)
   (  segid " 1SG" and resid 104  and name HD1%)
      2.100     0.600     0.600 peak   572 spectrum    1 weight  0.10000E+01 volume  0.64145E-02 ppm1      0.836 ppm2      0.981 CV     1
 ASSI {  574}
   (  segid " 1SG" and resid 53   and name HG2%)
   (( segid " 1SG" and resid 53   and name HB  ))
      2.200     0.600     0.600 peak   574 spectrum    1 weight  0.10000E+01 volume  0.63828E-02 ppm1      1.080 ppm2      2.129 CV     1
 OR {  574}
   (  segid " 1SG" and resid 53   and name HG1%)
   (( segid " 1SG" and resid 53   and name HB  ))
 ASSI {  581}
   (( segid " 1SG" and resid 67   and name HB1 ))
   (( segid " 1SG" and resid 67   and name HA  ))
      2.300     0.700     0.700 peak   581 spectrum    1 weight  0.10000E+01 volume  0.63014E-02 ppm1      3.729 ppm2      4.301 CV     1
 OR {  581}
   (( segid " 1SG" and resid 67   and name HB2 ))
   (( segid " 1SG" and resid 67   and name HA  ))
 ASSI {  582}
   (( segid " 1SG" and resid 53   and name HB  ))
   (  segid " 1SG" and resid 53   and name HG1%)
      2.200     0.600     0.600 peak   582 spectrum    1 weight  0.10000E+01 volume  0.62965E-02 ppm1      2.134 ppm2      1.116 CV     1
 ASSI {  589}
   (  segid " 1SG" and resid 76   and name HG2%)
   (  segid " 1SG" and resid 57   and name HD2%)
      2.600     0.900     0.900 peak   589 spectrum    1 weight  0.10000E+01 volume  0.86032E-02 ppm1      0.826 ppm2      0.616 CV     1
 OR {  589}
   (  segid " 1SG" and resid 76   and name HG2%)
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI {  592}
   (( segid " 1SG" and resid 53   and name HB  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      2.100     0.600     0.600 peak   592 spectrum    1 weight  0.10000E+01 volume  0.61985E-02 ppm1      2.134 ppm2      1.084 CV     1
 ASSI {  594}
   (  segid " 1SG" and resid 76   and name HD1%)
   (  segid " 1SG" and resid 74   and name HD1%)
      2.100     0.500     0.500 peak   594 spectrum    1 weight  0.10000E+01 volume  0.86032E-02 ppm1      0.676 ppm2      0.417 CV     1
 OR {  594}
   (  segid " 1SG" and resid 76   and name HD1%)
   (  segid " 1SG" and resid 74   and name HD2%)
 ASSI {  604}
   (( segid " 1SG" and resid 85   and name HA1 ))
   (( segid " 1SG" and resid 85   and name HA2 ))
      1.900     0.400     0.400 peak   604 spectrum    1 weight  0.10000E+01 volume  0.61112E-02 ppm1      3.939 ppm2      4.518 CV     1
 ASSI {  606}
   (( segid " 1SG" and resid 89   and name HA  ))
   (( segid " 1SG" and resid 99   and name HB2 ))
      2.400     2.400     3.600 peak   606 spectrum    1 weight  0.10000E+01 volume  0.86032E-02 ppm1      4.981 ppm2      2.748 CV     1
 ASSI {  611}
   (( segid " 1SG" and resid 20   and name HA2 ))
   (( segid " 1SG" and resid 20   and name HA1 ))
      2.000     0.500     0.500 peak   611 spectrum    1 weight  0.10000E+01 volume  0.60208E-02 ppm1      4.387 ppm2      3.737 CV     1
 ASSI {  612}
   (  segid " 1SG" and resid 18   and name HG1%)
   (( segid " 1SG" and resid 18   and name HB  ))
      2.300     0.600     0.600 peak   612 spectrum    1 weight  0.10000E+01 volume  0.60140E-02 ppm1      1.013 ppm2      1.941 CV     1
 ASSI {  613}
   (( segid " 1SG" and resid 3    and name HD1 ))
   (( segid " 1SG" and resid 2    and name HA  ))
      2.300     0.600     0.600 peak   613 spectrum    1 weight  0.10000E+01 volume  0.59960E-02 ppm1      3.854 ppm2      4.913 CV     1
 OR {  613}
   (( segid " 1SG" and resid 3    and name HD2 ))
   (( segid " 1SG" and resid 2    and name HA  ))
 ASSI {  617}
   (( segid " 1SG" and resid 84   and name HB  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      2.300     0.700     0.700 peak   617 spectrum    1 weight  0.10000E+01 volume  0.59438E-02 ppm1      4.220 ppm2      1.497 CV     1
 ASSI {  623}
   (( segid " 1SG" and resid 38   and name HB  ))
   (  segid " 1SG" and resid 38   and name HG2%)
      2.300     0.600     0.600 peak   623 spectrum    1 weight  0.10000E+01 volume  0.58893E-02 ppm1      1.893 ppm2      0.790 CV     1
 ASSI {  625}
   (( segid " 1SG" and resid 49   and name HG  ))
   (  segid " 1SG" and resid 49   and name HD2%)
      2.000     0.500     0.500 peak   625 spectrum    1 weight  0.10000E+01 volume  0.58457E-02 ppm1      0.805 ppm2      1.028 CV     1
 ASSI {  628}
   (  segid " 1SG" and resid 91   and name HG2%)
   (  segid " 1SG" and resid 39   and name HG2%)
      2.200     0.600     0.600 peak   628 spectrum    1 weight  0.10000E+01 volume  0.57904E-02 ppm1      0.172 ppm2     -0.446 CV     1
 OR {  628}
   (  segid " 1SG" and resid 91   and name HG1%)
   (  segid " 1SG" and resid 39   and name HG2%)
 ASSI {  629}
   (  segid " 1SG" and resid 106  and name HG2%)
   (  segid " 1SG" and resid 18   and name HG2%)
      2.200     0.600     0.600 peak   629 spectrum    1 weight  0.10000E+01 volume  0.57017E-02 ppm1      0.390 ppm2      0.968 CV     1
 OR {  629}
   (  segid " 1SG" and resid 106  and name HG2%)
   (  segid " 1SG" and resid 18   and name HG1%)
 ASSI {  638}
   (  segid " 1SG" and resid 74   and name HD2%)
   (  segid " 1SG" and resid 26   and name HB% )
      2.400     2.400     3.600 peak   638 spectrum    1 weight  0.10000E+01 volume  0.86032E-02 ppm1      0.410 ppm2      1.483 CV     1
 ASSI {  647}
   (( segid " 1SG" and resid 15   and name HB2 ))
   (( segid " 1SG" and resid 15   and name HG2 ))
      2.300     0.700     0.700 peak   647 spectrum    1 weight  0.10000E+01 volume  0.55195E-02 ppm1      2.041 ppm2      2.277 CV     1
 OR {  647}
   (( segid " 1SG" and resid 15   and name HB1 ))
   (( segid " 1SG" and resid 15   and name HG1 ))
 OR {  647}
   (( segid " 1SG" and resid 15   and name HB1 ))
   (( segid " 1SG" and resid 15   and name HG2 ))
 OR {  647}
   (( segid " 1SG" and resid 15   and name HB2 ))
   (( segid " 1SG" and resid 15   and name HG1 ))
 ASSI {  649}
   (  segid " 1SG" and resid 105  and name HG2%)
   (( segid " 1SG" and resid 105  and name HA  ))
      2.300     0.700     0.700 peak   649 spectrum    1 weight  0.10000E+01 volume  0.55006E-02 ppm1      0.923 ppm2      4.518 CV     1
 ASSI {  651}
   (  segid " 1SG" and resid 8    and name HG1%)
   (( segid " 1SG" and resid 8    and name HA  ))
      2.400     0.700     0.700 peak   651 spectrum    1 weight  0.10000E+01 volume  0.54779E-02 ppm1      0.964 ppm2      4.174 CV     1
 OR {  651}
   (  segid " 1SG" and resid 8    and name HG2%)
   (( segid " 1SG" and resid 8    and name HA  ))
 ASSI {  653}
   (  segid " 1SG" and resid 57   and name HD2%)
   (  segid " 1SG" and resid 74   and name HD1%)
      2.300     0.700     0.700 peak   653 spectrum    1 weight  0.10000E+01 volume  0.54622E-02 ppm1      0.612 ppm2      0.416 CV     1
 OR {  653}
   (  segid " 1SG" and resid 57   and name HD2%)
   (  segid " 1SG" and resid 74   and name HD2%)
 OR {  653}
   (  segid " 1SG" and resid 57   and name HD1%)
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI {  655}
   (( segid " 1SG" and resid 92   and name HB1 ))
   (( segid " 1SG" and resid 92   and name HA  ))
      2.300     0.700     0.700 peak   655 spectrum    1 weight  0.10000E+01 volume  0.54484E-02 ppm1      3.943 ppm2      5.264 CV     1
 OR {  655}
   (( segid " 1SG" and resid 92   and name HB2 ))
   (( segid " 1SG" and resid 92   and name HA  ))
 ASSI {  656}
   (( segid " 1SG" and resid 38   and name HB  ))
   (  segid " 1SG" and resid 38   and name HG1%)
      2.300     0.700     0.700 peak   656 spectrum    1 weight  0.10000E+01 volume  0.54379E-02 ppm1      1.893 ppm2      0.842 CV     1
 ASSI {  667}
   (( segid " 1SG" and resid 94   and name HE2 ))
   (( segid " 1SG" and resid 94   and name HG1 ))
      2.500     0.800     0.800 peak   667 spectrum    1 weight  0.10000E+01 volume  0.52699E-02 ppm1      2.982 ppm2      1.410 CV     1
 OR {  667}
   (( segid " 1SG" and resid 94   and name HE2 ))
   (( segid " 1SG" and resid 94   and name HG2 ))
 OR {  667}
   (( segid " 1SG" and resid 94   and name HE1 ))
   (( segid " 1SG" and resid 94   and name HG1 ))
 OR {  667}
   (( segid " 1SG" and resid 94   and name HE1 ))
   (( segid " 1SG" and resid 94   and name HG2 ))
 ASSI {  669}
   (( segid " 1SG" and resid 18   and name HB  ))
   (  segid " 1SG" and resid 18   and name HG2%)
      2.300     0.700     0.700 peak   669 spectrum    1 weight  0.10000E+01 volume  0.52558E-02 ppm1      1.940 ppm2      0.968 CV     1
 OR {  669}
   (( segid " 1SG" and resid 18   and name HB  ))
   (  segid " 1SG" and resid 18   and name HG1%)
 ASSI {  676}
   (( segid " 1SG" and resid 32   and name HB1 ))
   (( segid " 1SG" and resid 33   and name HA  ))
      2.500     2.500     3.500 peak   676 spectrum    1 weight  0.10000E+01 volume  0.51995E-02 ppm1      3.910 ppm2      4.466 CV     1
 OR {  676}
   (( segid " 1SG" and resid 32   and name HB2 ))
   (( segid " 1SG" and resid 33   and name HA  ))
 ASSI {  677}
   (  segid " 1SG" and resid 104  and name HD1%)
   (  segid " 1SG" and resid 22   and name HD1%)
      2.500     0.800     0.800 peak   677 spectrum    1 weight  0.10000E+01 volume  0.51994E-02 ppm1      0.982 ppm2      0.547 CV     1
 ASSI {  679}
   (  segid " 1SG" and resid 47   and name HG1%)
   (( segid " 1SG" and resid 47   and name HA  ))
      2.400     0.700     0.700 peak   679 spectrum    1 weight  0.10000E+01 volume  0.51899E-02 ppm1      0.996 ppm2      4.076 CV     1
 ASSI {  681}
   (( segid " 1SG" and resid 68   and name HG2 ))
   (( segid " 1SG" and resid 68   and name HD2 ))
      2.200     0.600     0.600 peak   681 spectrum    1 weight  0.10000E+01 volume  0.51890E-02 ppm1      1.326 ppm2      1.682 CV     1
 OR {  681}
   (( segid " 1SG" and resid 68   and name HG1 ))
   (( segid " 1SG" and resid 68   and name HD2 ))
 OR {  681}
   (( segid " 1SG" and resid 68   and name HG2 ))
   (( segid " 1SG" and resid 68   and name HD1 ))
 OR {  681}
   (( segid " 1SG" and resid 68   and name HG1 ))
   (( segid " 1SG" and resid 68   and name HD1 ))
 ASSI {  684}
   (  segid " 1SG" and resid 53   and name HG2%)
   (( segid " 1SG" and resid 53   and name HA  ))
      2.000     0.500     0.500 peak   684 spectrum    1 weight  0.10000E+01 volume  0.86032E-02 ppm1      1.079 ppm2      4.054 CV     1
 OR {  684}
   (  segid " 1SG" and resid 53   and name HG1%)
   (( segid " 1SG" and resid 53   and name HA  ))
 ASSI {  685}
   (( segid " 1SG" and resid 44   and name HA1 ))
   (( segid " 1SG" and resid 44   and name HA2 ))
      2.000     0.500     0.500 peak   685 spectrum    1 weight  0.10000E+01 volume  0.51698E-02 ppm1      3.476 ppm2      3.825 CV     1
 ASSI {  689}
   (  segid " 1SG" and resid 57   and name HD1%)
   (( segid " 1SG" and resid 57   and name HG  ))
      2.100     0.600     0.600 peak   689 spectrum    1 weight  0.10000E+01 volume  0.51420E-02 ppm1      0.618 ppm2      0.749 CV     1
 OR {  689}
   (  segid " 1SG" and resid 57   and name HD2%)
   (( segid " 1SG" and resid 57   and name HG  ))
 ASSI {  690}
   (  segid " 1SG" and resid 53   and name HG1%)
   (  segid " 1SG" and resid 59   and name HD1%)
      2.500     0.800     0.800 peak   690 spectrum    1 weight  0.10000E+01 volume  0.86032E-02 ppm1      1.118 ppm2      0.869 CV     1
 ASSI {  691}
   (  segid " 1SG" and resid 53   and name HG1%)
   (  segid " 1SG" and resid 57   and name HD1%)
      2.500     0.800     0.800 peak   691 spectrum    1 weight  0.10000E+01 volume  0.86032E-02 ppm1      1.118 ppm2      0.614 CV     1
 OR {  691}
   (  segid " 1SG" and resid 53   and name HG1%)
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI {  692}
   (  segid " 1SG" and resid 53   and name HG1%)
   (  segid " 1SG" and resid 53   and name HG2%)
      2.100     0.500     0.500 peak   692 spectrum    1 weight  0.10000E+01 volume  0.86032E-02 ppm1      1.122 ppm2      1.070 CV     1
 ASSI {  695}
   (  segid " 1SG" and resid 53   and name HG2%)
   (  segid " 1SG" and resid 57   and name HD1%)
      2.300     0.600     0.600 peak   695 spectrum    1 weight  0.10000E+01 volume  0.50799E-02 ppm1      1.077 ppm2      0.618 CV     1
 OR {  695}
   (  segid " 1SG" and resid 53   and name HG2%)
   (  segid " 1SG" and resid 57   and name HD2%)
 OR {  695}
   (  segid " 1SG" and resid 53   and name HG1%)
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI {  698}
   (( segid " 1SG" and resid 68   and name HE1 ))
   (( segid " 1SG" and resid 68   and name HG1 ))
      2.400     0.700     0.700 peak   698 spectrum    1 weight  0.10000E+01 volume  0.50657E-02 ppm1      3.029 ppm2      1.285 CV     1
 OR {  698}
   (( segid " 1SG" and resid 68   and name HE2 ))
   (( segid " 1SG" and resid 68   and name HG1 ))
 OR {  698}
   (( segid " 1SG" and resid 68   and name HE1 ))
   (( segid " 1SG" and resid 68   and name HG2 ))
 OR {  698}
   (( segid " 1SG" and resid 68   and name HE2 ))
   (( segid " 1SG" and resid 68   and name HG2 ))
 ASSI {  699}
   (  segid " 1SG" and resid 53   and name HG1%)
   (( segid " 1SG" and resid 53   and name HA  ))
      2.100     0.600     0.600 peak   699 spectrum    1 weight  0.10000E+01 volume  0.86032E-02 ppm1      1.119 ppm2      4.050 CV     1
 ASSI {  711}
   (  segid " 1SG" and resid 59   and name HD2%)
   (  segid " 1SG" and resid 57   and name HD2%)
      2.900     1.000     1.000 peak   711 spectrum    1 weight  0.10000E+01 volume  0.49381E-02 ppm1      0.712 ppm2      0.620 CV     1
 OR {  711}
   (  segid " 1SG" and resid 59   and name HD2%)
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI {  712}
   (( segid " 1SG" and resid 27   and name HD1 ))
   (( segid " 1SG" and resid 27   and name HB2 ))
      2.300     0.700     0.700 peak   712 spectrum    1 weight  0.10000E+01 volume  0.49380E-02 ppm1      3.128 ppm2      1.583 CV     1
 OR {  712}
   (( segid " 1SG" and resid 27   and name HD2 ))
   (( segid " 1SG" and resid 27   and name HB1 ))
 OR {  712}
   (( segid " 1SG" and resid 27   and name HD1 ))
   (( segid " 1SG" and resid 27   and name HB1 ))
 OR {  712}
   (( segid " 1SG" and resid 27   and name HD2 ))
   (( segid " 1SG" and resid 27   and name HB2 ))
 ASSI {  725}
   (  segid " 1SG" and resid 71   and name HD1%)
   (( segid " 1SG" and resid 71   and name HB2 ))
      2.200     0.600     0.600 peak   725 spectrum    1 weight  0.10000E+01 volume  0.86195E-02 ppm1      0.856 ppm2      1.270 CV     1
 ASSI {  731}
   (  segid " 1SG" and resid 91   and name HG1%)
   (( segid " 1SG" and resid 91   and name HB  ))
      2.200     0.600     0.600 peak   731 spectrum    1 weight  0.10000E+01 volume  0.48393E-02 ppm1      0.175 ppm2      1.130 CV     1
 OR {  731}
   (  segid " 1SG" and resid 91   and name HG2%)
   (( segid " 1SG" and resid 91   and name HB  ))
 ASSI {  739}
   (( segid " 1SG" and resid 14   and name HA2 ))
   (( segid " 1SG" and resid 14   and name HA1 ))
      2.000     0.500     0.500 peak   739 spectrum    1 weight  0.10000E+01 volume  0.47994E-02 ppm1      4.937 ppm2      3.749 CV     1
 ASSI {  742}
   (( segid " 1SG" and resid 4    and name HG12))
   (  segid " 1SG" and resid 4    and name HD1%)
      2.200     0.600     0.600 peak   742 spectrum    1 weight  0.10000E+01 volume  0.47846E-02 ppm1      1.241 ppm2      0.966 CV     1
 ASSI {  745}
   (( segid " 1SG" and resid 43   and name HE2 ))
   (( segid " 1SG" and resid 43   and name HG2 ))
      2.000     0.500     0.500 peak   745 spectrum    1 weight  0.10000E+01 volume  0.86306E-02 ppm1      2.518 ppm2      0.081 CV     1
 ASSI {  751}
   (  segid " 1SG" and resid 93   and name HG2%)
   (  segid " 1SG" and resid 6    and name HD1%)
      2.300     0.700     0.700 peak   751 spectrum    1 weight  0.10000E+01 volume  0.47335E-02 ppm1      1.039 ppm2      0.675 CV     1
 ASSI {  760}
   (( segid " 1SG" and resid 68   and name HD2 ))
   (( segid " 1SG" and resid 68   and name HE2 ))
      2.300     0.700     0.700 peak   760 spectrum    1 weight  0.10000E+01 volume  0.46656E-02 ppm1      1.678 ppm2      3.029 CV     1
 OR {  760}
   (( segid " 1SG" and resid 68   and name HD1 ))
   (( segid " 1SG" and resid 68   and name HE1 ))
 OR {  760}
   (( segid " 1SG" and resid 68   and name HD2 ))
   (( segid " 1SG" and resid 68   and name HE1 ))
 OR {  760}
   (( segid " 1SG" and resid 68   and name HD1 ))
   (( segid " 1SG" and resid 68   and name HE2 ))
 ASSI {  761}
   (  segid " 1SG" and resid 6    and name HD1%)
   (( segid " 1SG" and resid 6    and name HA  ))
      2.200     0.600     0.600 peak   761 spectrum    1 weight  0.10000E+01 volume  0.46480E-02 ppm1      0.673 ppm2      4.461 CV     1
 ASSI {  765}
   (  segid " 1SG" and resid 79   and name HB% )
   (  segid " 1SG" and resid 106  and name HG1%)
      2.600     0.900     0.900 peak   765 spectrum    1 weight  0.10000E+01 volume  0.46246E-02 ppm1      1.194 ppm2      0.689 CV     1
 ASSI {  773}
   (( segid " 1SG" and resid 93   and name HB  ))
   (( segid " 1SG" and resid 93   and name HA  ))
      2.400     0.700     0.700 peak   773 spectrum    1 weight  0.10000E+01 volume  0.45698E-02 ppm1      4.558 ppm2      4.791 CV     1
 ASSI {  775}
   (  segid " 1SG" and resid 77   and name HG2%)
   (( segid " 1SG" and resid 77   and name HA  ))
      2.400     0.700     0.700 peak   775 spectrum    1 weight  0.10000E+01 volume  0.45632E-02 ppm1      1.047 ppm2      4.663 CV     1
 ASSI {  776}
   (( segid " 1SG" and resid 108  and name HG2 ))
   (( segid " 1SG" and resid 108  and name HB2 ))
      2.400     0.700     0.700 peak   776 spectrum    1 weight  0.10000E+01 volume  0.45571E-02 ppm1      2.213 ppm2      1.913 CV     1
 OR {  776}
   (( segid " 1SG" and resid 108  and name HG1 ))
   (( segid " 1SG" and resid 108  and name HB2 ))
 ASSI {  777}
   (( segid " 1SG" and resid 65   and name HD1 ))
   (( segid " 1SG" and resid 65   and name HB1 ))
      2.500     0.800     0.800 peak   777 spectrum    1 weight  0.10000E+01 volume  0.45551E-02 ppm1      3.235 ppm2      1.762 CV     1
 OR {  777}
   (( segid " 1SG" and resid 65   and name HD1 ))
   (( segid " 1SG" and resid 65   and name HB2 ))
 OR {  777}
   (( segid " 1SG" and resid 65   and name HD2 ))
   (( segid " 1SG" and resid 65   and name HB1 ))
 OR {  777}
   (( segid " 1SG" and resid 65   and name HD2 ))
   (( segid " 1SG" and resid 65   and name HB2 ))
 ASSI {  778}
   (  segid " 1SG" and resid 39   and name HG2%)
   (  segid " 1SG" and resid 91   and name HG2%)
      2.300     0.600     0.600 peak   778 spectrum    1 weight  0.10000E+01 volume  0.45513E-02 ppm1     -0.446 ppm2      0.165 CV     1
 ASSI {  784}
   (( segid " 1SG" and resid 29   and name HA  ))
   (( segid " 1SG" and resid 6    and name HA  ))
      2.700     2.700     3.300 peak   784 spectrum    1 weight  0.10000E+01 volume  0.45365E-02 ppm1      4.446 ppm2      4.446 CV     1
 ASSI {  787}
   (( segid " 1SG" and resid 61   and name HB2 ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      2.700     2.700     3.300 peak   787 spectrum    1 weight  0.10000E+01 volume  0.45162E-02 ppm1      2.304 ppm2      2.785 CV     1
 ASSI {  789}
   (  segid " 1SG" and resid 79   and name HB% )
   (  segid " 1SG" and resid 104  and name HD2%)
      2.300     0.700     0.700 peak   789 spectrum    1 weight  0.10000E+01 volume  0.44905E-02 ppm1      1.197 ppm2      0.828 CV     1
 ASSI {  794}
   (( segid " 1SG" and resid 38   and name HA  ))
   (  segid " 1SG" and resid 38   and name HG1%)
      2.400     0.700     0.700 peak   794 spectrum    1 weight  0.10000E+01 volume  0.44723E-02 ppm1      3.904 ppm2      0.841 CV     1
 ASSI {  795}
   (( segid " 1SG" and resid 30   and name HA1 ))
   (( segid " 1SG" and resid 30   and name HA2 ))
      2.100     0.600     0.600 peak   795 spectrum    1 weight  0.10000E+01 volume  0.44719E-02 ppm1      3.952 ppm2      4.673 CV     1
 ASSI {  798}
   (( segid " 1SG" and resid 35   and name HE2 ))
   (  segid " 1SG" and resid 38   and name HG2%)
      2.400     0.700     0.700 peak   798 spectrum    1 weight  0.10000E+01 volume  0.44662E-02 ppm1      2.906 ppm2      0.791 CV     1
 OR {  798}
   (( segid " 1SG" and resid 35   and name HE1 ))
   (  segid " 1SG" and resid 38   and name HG2%)
 ASSI {  801}
   (  segid " 1SG" and resid 28   and name HG2%)
   (  segid " 1SG" and resid 91   and name HG2%)
      2.700     0.900     0.900 peak   801 spectrum    1 weight  0.10000E+01 volume  0.44480E-02 ppm1      0.651 ppm2      0.165 CV     1
 ASSI {  802}
   (( segid " 1SG" and resid 79   and name HA  ))
   (  segid " 1SG" and resid 79   and name HB% )
      2.300     0.700     0.700 peak   802 spectrum    1 weight  0.10000E+01 volume  0.44431E-02 ppm1      3.689 ppm2      1.194 CV     1
 ASSI {  804}
   (  segid " 1SG" and resid 91   and name HG2%)
   (  segid " 1SG" and resid 6    and name HD2%)
      2.300     0.700     0.700 peak   804 spectrum    1 weight  0.10000E+01 volume  0.44388E-02 ppm1      0.186 ppm2      0.489 CV     1
 OR {  804}
   (  segid " 1SG" and resid 91   and name HG1%)
   (  segid " 1SG" and resid 6    and name HD2%)
 ASSI {  808}
   (( segid " 1SG" and resid 57   and name HG  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      2.100     0.600     0.600 peak   808 spectrum    1 weight  0.10000E+01 volume  0.44111E-02 ppm1      0.750 ppm2      1.460 CV     1
 ASSI {  814}
   (( segid " 1SG" and resid 34   and name HA  ))
   (( segid " 1SG" and resid 34   and name HB2 ))
      2.400     0.700     0.700 peak   814 spectrum    1 weight  0.10000E+01 volume  0.43913E-02 ppm1      4.298 ppm2      1.673 CV     1
 OR {  814}
   (( segid " 1SG" and resid 34   and name HA  ))
   (( segid " 1SG" and resid 34   and name HB1 ))
 ASSI {  816}
   (  segid " 1SG" and resid 16   and name HG2%)
   (  segid " 1SG" and resid 79   and name HB% )
      2.300     0.700     0.700 peak   816 spectrum    1 weight  0.10000E+01 volume  0.43802E-02 ppm1      0.628 ppm2      1.196 CV     1
 ASSI {  818}
   (( segid " 1SG" and resid 12   and name HG1 ))
   (( segid " 1SG" and resid 12   and name HB2 ))
      2.400     0.700     0.700 peak   818 spectrum    1 weight  0.10000E+01 volume  0.43726E-02 ppm1      2.482 ppm2      1.977 CV     1
 OR {  818}
   (( segid " 1SG" and resid 12   and name HG2 ))
   (( segid " 1SG" and resid 12   and name HB2 ))
 ASSI {  826}
   (  segid " 1SG" and resid 26   and name HB% )
   (( segid " 1SG" and resid 26   and name HA  ))
      2.300     0.700     0.700 peak   826 spectrum    1 weight  0.10000E+01 volume  0.43191E-02 ppm1      1.469 ppm2      4.924 CV     1
 ASSI {  828}
   (( segid " 1SG" and resid 80   and name HG2 ))
   (( segid " 1SG" and resid 80   and name HB1 ))
      2.400     0.700     0.700 peak   828 spectrum    1 weight  0.10000E+01 volume  0.42870E-02 ppm1      2.181 ppm2      1.949 CV     1
 OR {  828}
   (( segid " 1SG" and resid 80   and name HG1 ))
   (( segid " 1SG" and resid 80   and name HB2 ))
 OR {  828}
   (( segid " 1SG" and resid 80   and name HG2 ))
   (( segid " 1SG" and resid 80   and name HB2 ))
 OR {  828}
   (( segid " 1SG" and resid 80   and name HG1 ))
   (( segid " 1SG" and resid 80   and name HB1 ))
 ASSI {  833}
   (  segid " 1SG" and resid 47   and name HG2%)
   (( segid " 1SG" and resid 47   and name HB  ))
      2.300     0.700     0.700 peak   833 spectrum    1 weight  0.10000E+01 volume  0.41878E-02 ppm1      0.794 ppm2      2.534 CV     1
 ASSI {  836}
   (  segid " 1SG" and resid 4    and name HG2%)
   (( segid " 1SG" and resid 4    and name HB  ))
      2.300     0.600     0.600 peak   836 spectrum    1 weight  0.10000E+01 volume  0.41497E-02 ppm1      0.914 ppm2      2.051 CV     1
 ASSI {  837}
   (  segid " 1SG" and resid 33   and name HD1%)
   (  segid " 1SG" and resid 93   and name HG2%)
      2.500     0.800     0.800 peak   837 spectrum    1 weight  0.10000E+01 volume  0.41486E-02 ppm1      0.872 ppm2      1.036 CV     1
 OR {  837}
   (  segid " 1SG" and resid 33   and name HD2%)
   (  segid " 1SG" and resid 93   and name HG2%)
 ASSI {  845}
   (  segid " 1SG" and resid 23   and name HG2%)
   (( segid " 1SG" and resid 23   and name HA  ))
      2.500     0.800     0.800 peak   845 spectrum    1 weight  0.10000E+01 volume  0.41104E-02 ppm1      0.784 ppm2      5.116 CV     1
 ASSI {  852}
   (( segid " 1SG" and resid 45   and name HD1 ))
   (( segid " 1SG" and resid 45   and name HG2 ))
      2.400     0.700     0.700 peak   852 spectrum    1 weight  0.10000E+01 volume  0.40807E-02 ppm1      1.241 ppm2      0.603 CV     1
 OR {  852}
   (( segid " 1SG" and resid 45   and name HD2 ))
   (( segid " 1SG" and resid 45   and name HG2 ))
 OR {  852}
   (( segid " 1SG" and resid 45   and name HD2 ))
   (( segid " 1SG" and resid 45   and name HB2 ))
 OR {  852}
   (( segid " 1SG" and resid 45   and name HD1 ))
   (( segid " 1SG" and resid 45   and name HB2 ))
 ASSI {  854}
   (  segid " 1SG" and resid 39   and name HG2%)
   (( segid " 1SG" and resid 39   and name HB  ))
      2.300     0.700     0.700 peak   854 spectrum    1 weight  0.10000E+01 volume  0.40578E-02 ppm1     -0.446 ppm2      0.589 CV     1
 ASSI {  857}
   (  segid " 1SG" and resid 47   and name HG1%)
   (( segid " 1SG" and resid 47   and name HB  ))
      2.400     0.700     0.700 peak   857 spectrum    1 weight  0.10000E+01 volume  0.40186E-02 ppm1      0.995 ppm2      2.528 CV     1
 ASSI {  859}
   (  segid " 1SG" and resid 104  and name HD2%)
   (  segid " 1SG" and resid 16   and name HG2%)
      2.700     0.900     0.900 peak   859 spectrum    1 weight  0.10000E+01 volume  0.40000E-02 ppm1      0.837 ppm2      0.615 CV     1
 ASSI {  862}
   (  segid " 1SG" and resid 16   and name HG2%)
   (  segid " 1SG" and resid 106  and name HG2%)
      2.500     0.800     0.800 peak   862 spectrum    1 weight  0.10000E+01 volume  0.39911E-02 ppm1      0.633 ppm2      0.390 CV     1
 ASSI {  866}
   (( segid " 1SG" and resid 55   and name HG1 ))
   (( segid " 1SG" and resid 55   and name HA  ))
      2.500     0.800     0.800 peak   866 spectrum    1 weight  0.10000E+01 volume  0.39661E-02 ppm1      1.990 ppm2      4.001 CV     1
 OR {  866}
   (( segid " 1SG" and resid 55   and name HG2 ))
   (( segid " 1SG" and resid 55   and name HA  ))
 ASSI {  867}
   (  segid " 1SG" and resid 59   and name HD2%)
   (( segid " 1SG" and resid 59   and name HA  ))
      2.400     0.700     0.700 peak   867 spectrum    1 weight  0.10000E+01 volume  0.39529E-02 ppm1      0.713 ppm2      5.190 CV     1
 ASSI {  873}
   (( segid " 1SG" and resid 91   and name HB  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      2.300     0.600     0.600 peak   873 spectrum    1 weight  0.10000E+01 volume  0.39262E-02 ppm1      1.132 ppm2      0.172 CV     1
 ASSI {  882}
   (( segid " 1SG" and resid 38   and name HA  ))
   (  segid " 1SG" and resid 38   and name HG2%)
      2.500     0.800     0.800 peak   882 spectrum    1 weight  0.10000E+01 volume  0.38717E-02 ppm1      3.900 ppm2      0.791 CV     1
 ASSI {  885}
   (( segid " 1SG" and resid 62   and name HB2 ))
   (( segid " 1SG" and resid 62   and name HA  ))
      2.700     0.900     0.900 peak   885 spectrum    1 weight  0.10000E+01 volume  0.38587E-02 ppm1      3.814 ppm2      4.609 CV     1
 ASSI {  887}
   (  segid " 1SG" and resid 93   and name HG2%)
   (( segid " 1SG" and resid 93   and name HA  ))
      2.400     0.700     0.700 peak   887 spectrum    1 weight  0.10000E+01 volume  0.38566E-02 ppm1      1.040 ppm2      4.794 CV     1
 ASSI {  894}
   (( segid " 1SG" and resid 52   and name HD1 ))
   (  segid " 1SG" and resid 47   and name HG1%)
      2.600     2.600     3.400 peak   894 spectrum    1 weight  0.10000E+01 volume  0.38227E-02 ppm1      1.585 ppm2      0.965 CV     1
 OR {  894}
   (( segid " 1SG" and resid 52   and name HD2 ))
   (  segid " 1SG" and resid 47   and name HG1%)
 ASSI {  896}
   (  segid " 1SG" and resid 106  and name HG2%)
   (( segid " 1SG" and resid 106  and name HB  ))
      2.300     0.700     0.700 peak   896 spectrum    1 weight  0.10000E+01 volume  0.38170E-02 ppm1      0.392 ppm2      1.861 CV     1
 ASSI {  897}
   (  segid " 1SG" and resid 4    and name HD1%)
   (( segid " 1SG" and resid 96   and name HB2 ))
      2.400     0.700     0.700 peak   897 spectrum    1 weight  0.10000E+01 volume  0.38127E-02 ppm1      0.965 ppm2      1.581 CV     1
 ASSI {  902}
   (( segid " 1SG" and resid 96   and name HB2 ))
   (( segid " 1SG" and resid 94   and name HD2 ))
      2.300     0.600     0.600 peak   902 spectrum    1 weight  0.10000E+01 volume  0.37927E-02 ppm1      1.580 ppm2      1.690 CV     1
 OR {  902}
   (( segid " 1SG" and resid 96   and name HB2 ))
   (( segid " 1SG" and resid 94   and name HD1 ))
 ASSI {  908}
   (  segid " 1SG" and resid 106  and name HG1%)
   (( segid " 1SG" and resid 106  and name HB  ))
      2.300     0.700     0.700 peak   908 spectrum    1 weight  0.10000E+01 volume  0.37404E-02 ppm1      0.695 ppm2      1.859 CV     1
 ASSI {  910}
   (( segid " 1SG" and resid 96   and name HB2 ))
   (( segid " 1SG" and resid 96   and name HG2 ))
      2.200     0.600     0.600 peak   910 spectrum    1 weight  0.10000E+01 volume  0.37101E-02 ppm1      1.587 ppm2      1.335 CV     1
 OR {  910}
   (( segid " 1SG" and resid 96   and name HB2 ))
   (( segid " 1SG" and resid 96   and name HG1 ))
 ASSI {  913}
   (  segid " 1SG" and resid 59   and name HD1%)
   (( segid " 1SG" and resid 59   and name HG  ))
      2.300     0.600     0.600 peak   913 spectrum    1 weight  0.10000E+01 volume  0.36884E-02 ppm1      0.866 ppm2      1.440 CV     1
 ASSI {  931}
   (( segid " 1SG" and resid 65   and name HB1 ))
   (( segid " 1SG" and resid 65   and name HA  ))
      2.500     0.800     0.800 peak   931 spectrum    1 weight  0.10000E+01 volume  0.36090E-02 ppm1      1.768 ppm2      3.458 CV     1
 OR {  931}
   (( segid " 1SG" and resid 65   and name HB2 ))
   (( segid " 1SG" and resid 65   and name HA  ))
 ASSI {  932}
   (  segid " 1SG" and resid 71   and name HD1%)
   (( segid " 1SG" and resid 71   and name HA  ))
      2.400     0.700     0.700 peak   932 spectrum    1 weight  0.10000E+01 volume  0.36089E-02 ppm1      0.861 ppm2      5.068 CV     1
 ASSI {  934}
   (  segid " 1SG" and resid 39   and name HG1%)
   (( segid " 1SG" and resid 39   and name HB  ))
      2.400     0.700     0.700 peak   934 spectrum    1 weight  0.10000E+01 volume  0.36026E-02 ppm1     -0.065 ppm2      0.591 CV     1
 ASSI {  935}
   (( segid " 1SG" and resid 49   and name HG  ))
   (( segid " 1SG" and resid 49   and name HA  ))
      2.300     0.600     0.600 peak   935 spectrum    1 weight  0.10000E+01 volume  0.35993E-02 ppm1      0.803 ppm2      3.862 CV     1
 ASSI {  937}
   (( segid " 1SG" and resid 86   and name HA1 ))
   (( segid " 1SG" and resid 86   and name HA2 ))
      2.200     0.600     0.600 peak   937 spectrum    1 weight  0.10000E+01 volume  0.35677E-02 ppm1      3.487 ppm2      4.665 CV     1
 ASSI {  944}
   (( segid " 1SG" and resid 51   and name HA  ))
   (( segid " 1SG" and resid 51   and name HB2 ))
      2.500     0.800     0.800 peak   944 spectrum    1 weight  0.10000E+01 volume  0.35195E-02 ppm1      4.566 ppm2      4.025 CV     1
 ASSI {  949}
   (( segid " 1SG" and resid 16   and name HB  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      2.400     0.700     0.700 peak   949 spectrum    1 weight  0.10000E+01 volume  0.34914E-02 ppm1      1.824 ppm2      0.622 CV     1
 ASSI {  952}
   (( segid " 1SG" and resid 95   and name HA  ))
   (( segid " 1SG" and resid 95   and name HB2 ))
      2.500     0.800     0.800 peak   952 spectrum    1 weight  0.10000E+01 volume  0.34876E-02 ppm1      4.737 ppm2      2.633 CV     1
 ASSI {  953}
   (( segid " 1SG" and resid 77   and name HB  ))
   (( segid " 1SG" and resid 77   and name HA  ))
      2.300     0.600     0.600 peak   953 spectrum    1 weight  0.10000E+01 volume  0.34848E-02 ppm1      4.029 ppm2      4.666 CV     1
 ASSI {  955}
   (( segid " 1SG" and resid 53   and name HA  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      2.300     0.700     0.700 peak   955 spectrum    1 weight  0.10000E+01 volume  0.34796E-02 ppm1      4.054 ppm2      1.080 CV     1
 ASSI {  963}
   (  segid " 1SG" and resid 74   and name HD1%)
   (  segid " 1SG" and resid 49   and name HD2%)
      2.400     0.700     0.700 peak   963 spectrum    1 weight  0.10000E+01 volume  0.34347E-02 ppm1      0.410 ppm2      1.032 CV     1
 OR {  963}
   (  segid " 1SG" and resid 74   and name HD2%)
   (  segid " 1SG" and resid 49   and name HD2%)
 ASSI {  965}
   (( segid " 1SG" and resid 3    and name HD2 ))
   (( segid " 1SG" and resid 4    and name HB  ))
      2.800     2.800     3.200 peak   965 spectrum    1 weight  0.10000E+01 volume  0.34297E-02 ppm1      3.857 ppm2      2.022 CV     1
 OR {  965}
   (( segid " 1SG" and resid 3    and name HD1 ))
   (( segid " 1SG" and resid 4    and name HB  ))
 ASSI {  966}
   (( segid " 1SG" and resid 61   and name HA  ))
   (( segid " 1SG" and resid 72   and name HA  ))
      2.200     0.600     0.600 peak   966 spectrum    1 weight  0.10000E+01 volume  0.34237E-02 ppm1      5.559 ppm2      5.379 CV     1
 ASSI {  969}
   (  segid " 1SG" and resid 47   and name HG2%)
   (( segid " 1SG" and resid 47   and name HA  ))
      2.700     0.900     0.900 peak   969 spectrum    1 weight  0.10000E+01 volume  0.34102E-02 ppm1      0.793 ppm2      4.074 CV     1
 ASSI {  972}
   (  segid " 1SG" and resid 106  and name HG1%)
   (( segid " 1SG" and resid 106  and name HA  ))
      2.800     1.000     1.000 peak   972 spectrum    1 weight  0.10000E+01 volume  0.33874E-02 ppm1      0.694 ppm2      4.732 CV     1
 ASSI {  978}
   (  segid " 1SG" and resid 104  and name HD1%)
   (( segid " 1SG" and resid 104  and name HA  ))
      2.800     1.000     1.000 peak   978 spectrum    1 weight  0.10000E+01 volume  0.33703E-02 ppm1      0.981 ppm2      5.437 CV     1
 ASSI {  984}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 104  and name HB2 ))
      2.700     0.900     0.900 peak   984 spectrum    1 weight  0.10000E+01 volume  0.33322E-02 ppm1      0.549 ppm2      1.243 CV     1
 OR {  984}
   (  segid " 1SG" and resid 22   and name HD1%)
   (( segid " 1SG" and resid 104  and name HB2 ))
 ASSI {  986}
   (  segid " 1SG" and resid 74   and name HD1%)
   (( segid " 1SG" and resid 74   and name HG  ))
      2.400     0.700     0.700 peak   986 spectrum    1 weight  0.10000E+01 volume  0.33219E-02 ppm1      0.409 ppm2      1.098 CV     1
 OR {  986}
   (  segid " 1SG" and resid 74   and name HD2%)
   (( segid " 1SG" and resid 74   and name HG  ))
 ASSI {  990}
   (  segid " 1SG" and resid 18   and name HG2%)
   (( segid " 1SG" and resid 108  and name HA  ))
      2.400     0.700     0.700 peak   990 spectrum    1 weight  0.10000E+01 volume  0.33175E-02 ppm1      0.965 ppm2      4.151 CV     1
 ASSI {  991}
   (( segid " 1SG" and resid 55   and name HB2 ))
   (( segid " 1SG" and resid 55   and name HA  ))
      2.600     0.800     0.800 peak   991 spectrum    1 weight  0.10000E+01 volume  0.33142E-02 ppm1      1.787 ppm2      4.002 CV     1
 ASSI {  992}
   (( segid " 1SG" and resid 106  and name HA  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      2.500     0.800     0.800 peak   992 spectrum    1 weight  0.10000E+01 volume  0.33120E-02 ppm1      4.730 ppm2      0.388 CV     1
 ASSI {  993}
   (  segid " 1SG" and resid 4    and name HG2%)
   (( segid " 1SG" and resid 96   and name HB2 ))
      2.500     0.800     0.800 peak   993 spectrum    1 weight  0.10000E+01 volume  0.33035E-02 ppm1      0.918 ppm2      1.588 CV     1
 ASSI { 1000}
   (  segid " 1SG" and resid 59   and name HD1%)
   (( segid " 1SG" and resid 43   and name HA  ))
      3.200     3.200     2.800 peak  1000 spectrum    1 weight  0.10000E+01 volume  0.32689E-02 ppm1      0.867 ppm2      4.117 CV     1
 ASSI { 1004}
   (( segid " 1SG" and resid 33   and name HA  ))
   (( segid " 1SG" and resid 33   and name HB2 ))
      2.400     0.700     0.700 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.32459E-02 ppm1      4.459 ppm2      1.732 CV     1
 ASSI { 1006}
   (( segid " 1SG" and resid 57   and name HA  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      2.200     0.600     0.600 peak  1006 spectrum    1 weight  0.10000E+01 volume  0.32409E-02 ppm1      5.429 ppm2      1.472 CV     1
 ASSI { 1008}
   (( segid " 1SG" and resid 77   and name HA  ))
   (( segid " 1SG" and resid 21   and name HA  ))
      2.000     0.500     0.500 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.32367E-02 ppm1      4.665 ppm2      5.519 CV     1
 ASSI { 1009}
   (( segid " 1SG" and resid 84   and name HA  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      2.500     0.800     0.800 peak  1009 spectrum    1 weight  0.10000E+01 volume  0.32328E-02 ppm1      4.230 ppm2      1.496 CV     1
 ASSI { 1011}
   (  segid " 1SG" and resid 59   and name HD1%)
   (  segid " 1SG" and resid 53   and name HG2%)
      2.400     0.700     0.700 peak  1011 spectrum    1 weight  0.10000E+01 volume  0.32269E-02 ppm1      0.870 ppm2      1.085 CV     1
 ASSI { 1019}
   (( segid " 1SG" and resid 35   and name HA  ))
   (( segid " 1SG" and resid 36   and name HD2 ))
      2.700     0.900     0.900 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.31953E-02 ppm1      4.673 ppm2      3.509 CV     1
 ASSI { 1021}
   (  segid " 1SG" and resid 22   and name HD1%)
   (( segid " 1SG" and resid 22   and name HG12))
      2.400     0.700     0.700 peak  1021 spectrum    1 weight  0.10000E+01 volume  0.31890E-02 ppm1      0.548 ppm2      0.108 CV     1
 OR { 1021}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 22   and name HG12))
 ASSI { 1037}
   (  segid " 1SG" and resid 91   and name HG2%)
   (( segid " 1SG" and resid 91   and name HA  ))
      2.600     0.800     0.800 peak  1037 spectrum    1 weight  0.10000E+01 volume  0.31308E-02 ppm1      0.180 ppm2      4.756 CV     1
 OR { 1037}
   (  segid " 1SG" and resid 91   and name HG1%)
   (( segid " 1SG" and resid 91   and name HA  ))
 ASSI { 1038}
   (( segid " 1SG" and resid 53   and name HB  ))
   (( segid " 1SG" and resid 52   and name HB2 ))
      3.000     3.000     3.000 peak  1038 spectrum    1 weight  0.10000E+01 volume  0.31306E-02 ppm1      2.169 ppm2      1.731 CV     1
 ASSI { 1047}
   (( segid " 1SG" and resid 16   and name HB  ))
   (( segid " 1SG" and resid 16   and name HA  ))
      2.500     0.800     0.800 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.30924E-02 ppm1      1.820 ppm2      4.604 CV     1
 ASSI { 1051}
   (( segid " 1SG" and resid 43   and name HD1 ))
   (  segid " 1SG" and resid 59   and name HD1%)
      3.200     3.200     2.800 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.30810E-02 ppm1      1.331 ppm2      0.856 CV     1
 OR { 1051}
   (( segid " 1SG" and resid 43   and name HD2 ))
   (  segid " 1SG" and resid 59   and name HD1%)
 ASSI { 1055}
   (( segid " 1SG" and resid 71   and name HB2 ))
   (( segid " 1SG" and resid 69   and name HB  ))
      2.500     2.500     3.500 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.30686E-02 ppm1      1.264 ppm2      1.770 CV     1
 ASSI { 1057}
   (  segid " 1SG" and resid 79   and name HB% )
   (  segid " 1SG" and resid 106  and name HG2%)
      2.500     0.800     0.800 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.30650E-02 ppm1      1.196 ppm2      0.392 CV     1
 ASSI { 1058}
   (( segid " 1SG" and resid 94   and name HB2 ))
   (( segid " 1SG" and resid 94   and name HG1 ))
      2.500     0.800     0.800 peak  1058 spectrum    1 weight  0.10000E+01 volume  0.30582E-02 ppm1      1.791 ppm2      1.414 CV     1
 OR { 1058}
   (( segid " 1SG" and resid 94   and name HB2 ))
   (( segid " 1SG" and resid 94   and name HG2 ))
 ASSI { 1068}
   (( segid " 1SG" and resid 35   and name HB2 ))
   (( segid " 1SG" and resid 35   and name HG2 ))
      2.500     0.800     0.800 peak  1068 spectrum    1 weight  0.10000E+01 volume  0.30124E-02 ppm1      1.791 ppm2      1.358 CV     1
 OR { 1068}
   (( segid " 1SG" and resid 35   and name HB1 ))
   (( segid " 1SG" and resid 35   and name HG2 ))
 OR { 1068}
   (( segid " 1SG" and resid 35   and name HB2 ))
   (( segid " 1SG" and resid 35   and name HG1 ))
 OR { 1068}
   (( segid " 1SG" and resid 35   and name HB1 ))
   (( segid " 1SG" and resid 35   and name HG1 ))
 ASSI { 1077}
   (  segid " 1SG" and resid 69   and name HG1%)
   (( segid " 1SG" and resid 29   and name HA  ))
      2.600     0.900     0.900 peak  1077 spectrum    1 weight  0.10000E+01 volume  0.29748E-02 ppm1      0.863 ppm2      4.391 CV     1
 OR { 1077}
   (  segid " 1SG" and resid 69   and name HG2%)
   (( segid " 1SG" and resid 29   and name HA  ))
 ASSI { 1078}
   (( segid " 1SG" and resid 76   and name HB  ))
   (  segid " 1SG" and resid 76   and name HG2%)
      2.400     0.700     0.700 peak  1078 spectrum    1 weight  0.10000E+01 volume  0.29555E-02 ppm1      1.936 ppm2      0.826 CV     1
 ASSI { 1080}
   (( segid " 1SG" and resid 58   and name HB1 ))
   (( segid " 1SG" and resid 58   and name HG2 ))
      2.500     0.800     0.800 peak  1080 spectrum    1 weight  0.10000E+01 volume  0.29494E-02 ppm1      2.406 ppm2      1.814 CV     1
 OR { 1080}
   (( segid " 1SG" and resid 58   and name HB2 ))
   (( segid " 1SG" and resid 58   and name HG2 ))
 ASSI { 1081}
   (( segid " 1SG" and resid 76   and name HB  ))
   (  segid " 1SG" and resid 22   and name HG2%)
      2.400     0.700     0.700 peak  1081 spectrum    1 weight  0.10000E+01 volume  0.29476E-02 ppm1      1.938 ppm2      0.610 CV     1
 ASSI { 1082}
   (( segid " 1SG" and resid 57   and name HG  ))
   (  segid " 1SG" and resid 74   and name HD1%)
      2.800     1.000     1.000 peak  1082 spectrum    1 weight  0.10000E+01 volume  0.29437E-02 ppm1      0.751 ppm2      0.415 CV     1
 OR { 1082}
   (( segid " 1SG" and resid 57   and name HG  ))
   (  segid " 1SG" and resid 74   and name HD2%)
 ASSI { 1083}
   (( segid " 1SG" and resid 22   and name HG12))
   (( segid " 1SG" and resid 104  and name HB2 ))
      2.200     0.600     0.600 peak  1083 spectrum    1 weight  0.10000E+01 volume  0.29429E-02 ppm1      0.106 ppm2      1.251 CV     1
 ASSI { 1088}
   (  segid " 1SG" and resid 39   and name HG2%)
   (( segid " 1SG" and resid 39   and name HA  ))
      2.500     0.800     0.800 peak  1088 spectrum    1 weight  0.10000E+01 volume  0.29391E-02 ppm1     -0.447 ppm2      4.803 CV     1
 ASSI { 1092}
   (( segid " 1SG" and resid 18   and name HA  ))
   (  segid " 1SG" and resid 18   and name HG1%)
      2.500     0.800     0.800 peak  1092 spectrum    1 weight  0.10000E+01 volume  0.29154E-02 ppm1      3.510 ppm2      0.968 CV     1
 OR { 1092}
   (( segid " 1SG" and resid 18   and name HA  ))
   (  segid " 1SG" and resid 18   and name HG2%)
 ASSI { 1095}
   (( segid " 1SG" and resid 9    and name HG2 ))
   (( segid " 1SG" and resid 9    and name HB2 ))
      2.600     0.900     0.900 peak  1095 spectrum    1 weight  0.10000E+01 volume  0.29067E-02 ppm1      2.524 ppm2      1.911 CV     1
 ASSI { 1097}
   (( segid " 1SG" and resid 18   and name HA  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      2.500     0.800     0.800 peak  1097 spectrum    1 weight  0.10000E+01 volume  0.28976E-02 ppm1      3.516 ppm2      0.390 CV     1
 ASSI { 1101}
   (  segid " 1SG" and resid 28   and name HG1%)
   (  segid " 1SG" and resid 91   and name HG2%)
      2.500     0.800     0.800 peak  1101 spectrum    1 weight  0.10000E+01 volume  0.28723E-02 ppm1      0.830 ppm2      0.179 CV     1
 OR { 1101}
   (  segid " 1SG" and resid 28   and name HG1%)
   (  segid " 1SG" and resid 91   and name HG1%)
 ASSI { 1102}
   (( segid " 1SG" and resid 27   and name HD2 ))
   (( segid " 1SG" and resid 27   and name HG1 ))
      2.500     0.800     0.800 peak  1102 spectrum    1 weight  0.10000E+01 volume  0.28684E-02 ppm1      3.131 ppm2      1.704 CV     1
 OR { 1102}
   (( segid " 1SG" and resid 27   and name HD1 ))
   (( segid " 1SG" and resid 27   and name HG2 ))
 OR { 1102}
   (( segid " 1SG" and resid 27   and name HD1 ))
   (( segid " 1SG" and resid 27   and name HG1 ))
 OR { 1102}
   (( segid " 1SG" and resid 27   and name HD2 ))
   (( segid " 1SG" and resid 27   and name HG2 ))
 ASSI { 1105}
   (  segid " 1SG" and resid 28   and name HG2%)
   (( segid " 1SG" and resid 28   and name HA  ))
      2.600     0.800     0.800 peak  1105 spectrum    1 weight  0.10000E+01 volume  0.28469E-02 ppm1      0.652 ppm2      4.910 CV     1
 ASSI { 1109}
   (( segid " 1SG" and resid 3    and name HB1 ))
   (( segid " 1SG" and resid 3    and name HA  ))
      2.600     0.800     0.800 peak  1109 spectrum    1 weight  0.10000E+01 volume  0.28386E-02 ppm1      2.293 ppm2      4.452 CV     1
 OR { 1109}
   (( segid " 1SG" and resid 3    and name HB2 ))
   (( segid " 1SG" and resid 3    and name HA  ))
 ASSI { 1115}
   (( segid " 1SG" and resid 52   and name HD2 ))
   (( segid " 1SG" and resid 52   and name HA  ))
      2.500     0.800     0.800 peak  1115 spectrum    1 weight  0.10000E+01 volume  0.28322E-02 ppm1      1.579 ppm2      4.625 CV     1
 OR { 1115}
   (( segid " 1SG" and resid 52   and name HD1 ))
   (( segid " 1SG" and resid 52   and name HA  ))
 ASSI { 1118}
   (( segid " 1SG" and resid 43   and name HD1 ))
   (  segid " 1SG" and resid 47   and name HG1%)
      2.800     1.000     1.000 peak  1118 spectrum    1 weight  0.10000E+01 volume  0.28141E-02 ppm1      1.324 ppm2      0.983 CV     1
 OR { 1118}
   (( segid " 1SG" and resid 43   and name HD2 ))
   (  segid " 1SG" and resid 47   and name HG1%)
 ASSI { 1127}
   (( segid " 1SG" and resid 107  and name HA  ))
   (( segid " 1SG" and resid 107  and name HB2 ))
      2.600     0.800     0.800 peak  1127 spectrum    1 weight  0.10000E+01 volume  0.27830E-02 ppm1      4.805 ppm2      3.085 CV     1
 OR { 1127}
   (( segid " 1SG" and resid 107  and name HA  ))
   (( segid " 1SG" and resid 107  and name HB1 ))
 ASSI { 1129}
   (( segid " 1SG" and resid 96   and name HA  ))
   (( segid " 1SG" and resid 96   and name HG1 ))
      2.500     0.800     0.800 peak  1129 spectrum    1 weight  0.10000E+01 volume  0.27763E-02 ppm1      4.790 ppm2      1.336 CV     1
 OR { 1129}
   (( segid " 1SG" and resid 96   and name HA  ))
   (( segid " 1SG" and resid 96   and name HG2 ))
 ASSI { 1135}
   (  segid " 1SG" and resid 59   and name HD2%)
   (( segid " 1SG" and resid 74   and name HA  ))
      2.900     1.000     1.000 peak  1135 spectrum    1 weight  0.10000E+01 volume  0.27630E-02 ppm1      0.717 ppm2      4.346 CV     1
 ASSI { 1151}
   (( segid " 1SG" and resid 18   and name HA  ))
   (  segid " 1SG" and resid 18   and name HG1%)
      2.500     0.800     0.800 peak  1151 spectrum    1 weight  0.10000E+01 volume  0.27216E-02 ppm1      3.513 ppm2      1.007 CV     1
 ASSI { 1152}
   (  segid " 1SG" and resid 69   and name HG1%)
   (( segid " 1SG" and resid 27   and name HD1 ))
      2.400     2.400     3.600 peak  1152 spectrum    1 weight  0.10000E+01 volume  0.27215E-02 ppm1      0.852 ppm2      3.126 CV     1
 OR { 1152}
   (  segid " 1SG" and resid 69   and name HG1%)
   (( segid " 1SG" and resid 27   and name HD2 ))
 ASSI { 1153}
   (( segid " 1SG" and resid 17   and name HA  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      2.600     2.600     3.400 peak  1153 spectrum    1 weight  0.10000E+01 volume  0.27209E-02 ppm1      4.789 ppm2      1.298 CV     1
 ASSI { 1154}
   (( segid " 1SG" and resid 15   and name HA  ))
   (( segid " 1SG" and resid 15   and name HB2 ))
      2.600     0.800     0.800 peak  1154 spectrum    1 weight  0.10000E+01 volume  0.27204E-02 ppm1      5.494 ppm2      2.015 CV     1
 OR { 1154}
   (( segid " 1SG" and resid 15   and name HA  ))
   (( segid " 1SG" and resid 15   and name HB1 ))
 ASSI { 1156}
   (  segid " 1SG" and resid 59   and name HD2%)
   (( segid " 1SG" and resid 59   and name HB1 ))
      2.700     0.900     0.900 peak  1156 spectrum    1 weight  0.10000E+01 volume  0.27147E-02 ppm1      0.714 ppm2      1.697 CV     1
 OR { 1156}
   (  segid " 1SG" and resid 59   and name HD2%)
   (( segid " 1SG" and resid 59   and name HB2 ))
 ASSI { 1161}
   (( segid " 1SG" and resid 59   and name HB1 ))
   (  segid " 1SG" and resid 59   and name HD1%)
      2.500     0.800     0.800 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.26907E-02 ppm1      1.712 ppm2      0.868 CV     1
 OR { 1161}
   (( segid " 1SG" and resid 59   and name HB2 ))
   (  segid " 1SG" and resid 59   and name HD1%)
 ASSI { 1173}
   (( segid " 1SG" and resid 52   and name HE2 ))
   (  segid " 1SG" and resid 47   and name HG2%)
      2.800     1.000     1.000 peak  1173 spectrum    1 weight  0.10000E+01 volume  0.26479E-02 ppm1      2.788 ppm2      0.794 CV     1
 ASSI { 1176}
   (  segid " 1SG" and resid 4    and name HG2%)
   (  segid " 1SG" and resid 6    and name HD2%)
      2.900     1.000     1.000 peak  1176 spectrum    1 weight  0.10000E+01 volume  0.26355E-02 ppm1      0.914 ppm2      0.491 CV     1
 ASSI { 1183}
   (( segid " 1SG" and resid 45   and name HA  ))
   (( segid " 1SG" and resid 45   and name HB2 ))
      2.600     0.900     0.900 peak  1183 spectrum    1 weight  0.10000E+01 volume  0.26173E-02 ppm1      3.497 ppm2      0.609 CV     1
 OR { 1183}
   (( segid " 1SG" and resid 45   and name HA  ))
   (( segid " 1SG" and resid 45   and name HG2 ))
 ASSI { 1189}
   (( segid " 1SG" and resid 94   and name HA  ))
   (( segid " 1SG" and resid 94   and name HB2 ))
      2.700     0.900     0.900 peak  1189 spectrum    1 weight  0.10000E+01 volume  0.26075E-02 ppm1      4.042 ppm2      1.799 CV     1
 ASSI { 1190}
   (( segid " 1SG" and resid 2    and name HB2 ))
   (( segid " 1SG" and resid 1    and name HA  ))
      3.100     1.200     1.200 peak  1190 spectrum    1 weight  0.10000E+01 volume  0.26063E-02 ppm1      2.684 ppm2      4.619 CV     1
 ASSI { 1191}
   (  segid " 1SG" and resid 76   and name HD1%)
   (( segid " 1SG" and resid 59   and name HG  ))
      2.300     2.300     3.700 peak  1191 spectrum    1 weight  0.10000E+01 volume  0.26035E-02 ppm1      0.677 ppm2      1.411 CV     1
 ASSI { 1193}
   (( segid " 1SG" and resid 43   and name HE2 ))
   (( segid " 1SG" and resid 43   and name HD1 ))
      2.600     0.800     0.800 peak  1193 spectrum    1 weight  0.10000E+01 volume  0.25995E-02 ppm1      2.518 ppm2      1.326 CV     1
 OR { 1193}
   (( segid " 1SG" and resid 43   and name HE2 ))
   (( segid " 1SG" and resid 43   and name HD2 ))
 ASSI { 1202}
   (( segid " 1SG" and resid 2    and name HB2 ))
   (( segid " 1SG" and resid 96   and name HE2 ))
      3.000     3.000     3.000 peak  1202 spectrum    1 weight  0.10000E+01 volume  0.25421E-02 ppm1      2.692 ppm2      2.944 CV     1
 OR { 1202}
   (( segid " 1SG" and resid 2    and name HB2 ))
   (( segid " 1SG" and resid 96   and name HE1 ))
 ASSI { 1205}
   (  segid " 1SG" and resid 28   and name HG2%)
   (( segid " 1SG" and resid 28   and name HB  ))
      2.600     0.800     0.800 peak  1205 spectrum    1 weight  0.10000E+01 volume  0.25361E-02 ppm1      0.652 ppm2      1.978 CV     1
 ASSI { 1215}
   (( segid " 1SG" and resid 25   and name HB2 ))
   (  segid " 1SG" and resid 71   and name HD1%)
      2.700     0.900     0.900 peak  1215 spectrum    1 weight  0.10000E+01 volume  0.24973E-02 ppm1      3.603 ppm2      0.862 CV     1
 ASSI { 1219}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 22   and name HB  ))
      2.400     0.700     0.700 peak  1219 spectrum    1 weight  0.10000E+01 volume  0.24876E-02 ppm1      0.612 ppm2      1.535 CV     1
 ASSI { 1220}
   (  segid " 1SG" and resid 28   and name HG1%)
   (( segid " 1SG" and resid 28   and name HB  ))
      2.600     0.800     0.800 peak  1220 spectrum    1 weight  0.10000E+01 volume  0.24794E-02 ppm1      0.816 ppm2      1.976 CV     1
 ASSI { 1223}
   (( segid " 1SG" and resid 53   and name HB  ))
   (( segid " 1SG" and resid 53   and name HA  ))
      2.600     0.800     0.800 peak  1223 spectrum    1 weight  0.10000E+01 volume  0.24690E-02 ppm1      2.132 ppm2      4.051 CV     1
 ASSI { 1236}
   (( segid " 1SG" and resid 59   and name HA  ))
   (( segid " 1SG" and resid 59   and name HB2 ))
      2.500     0.800     0.800 peak  1236 spectrum    1 weight  0.10000E+01 volume  0.24374E-02 ppm1      5.198 ppm2      1.702 CV     1
 OR { 1236}
   (( segid " 1SG" and resid 59   and name HA  ))
   (( segid " 1SG" and resid 59   and name HB1 ))
 ASSI { 1239}
   (( segid " 1SG" and resid 64   and name HA  ))
   (( segid " 1SG" and resid 64   and name HB2 ))
      2.700     0.900     0.900 peak  1239 spectrum    1 weight  0.10000E+01 volume  0.24329E-02 ppm1      4.580 ppm2      2.354 CV     1
 ASSI { 1242}
   (( segid " 1SG" and resid 43   and name HD2 ))
   (( segid " 1SG" and resid 57   and name HG  ))
      2.500     0.800     0.800 peak  1242 spectrum    1 weight  0.10000E+01 volume  0.24269E-02 ppm1      1.333 ppm2      0.743 CV     1
 OR { 1242}
   (( segid " 1SG" and resid 43   and name HD1 ))
   (( segid " 1SG" and resid 57   and name HG  ))
 ASSI { 1243}
   (( segid " 1SG" and resid 22   and name HG12))
   (  segid " 1SG" and resid 22   and name HD1%)
      2.500     0.800     0.800 peak  1243 spectrum    1 weight  0.10000E+01 volume  0.24231E-02 ppm1      0.102 ppm2      0.551 CV     1
 ASSI { 1244}
   (( segid " 1SG" and resid 52   and name HE2 ))
   (( segid " 1SG" and resid 52   and name HD1 ))
      2.500     0.800     0.800 peak  1244 spectrum    1 weight  0.10000E+01 volume  0.24203E-02 ppm1      2.788 ppm2      1.574 CV     1
 OR { 1244}
   (( segid " 1SG" and resid 52   and name HE2 ))
   (( segid " 1SG" and resid 52   and name HD2 ))
 ASSI { 1246}
   (  segid " 1SG" and resid 104  and name HD1%)
   (( segid " 1SG" and resid 104  and name HB2 ))
      2.300     0.700     0.700 peak  1246 spectrum    1 weight  0.10000E+01 volume  0.24165E-02 ppm1      0.976 ppm2      1.219 CV     1
 ASSI { 1251}
   (( segid " 1SG" and resid 80   and name HA  ))
   (( segid " 1SG" and resid 81   and name HD2 ))
      2.700     0.900     0.900 peak  1251 spectrum    1 weight  0.10000E+01 volume  0.24026E-02 ppm1      4.639 ppm2      3.592 CV     1
 ASSI { 1254}
   (( segid " 1SG" and resid 57   and name HA  ))
   (( segid " 1SG" and resid 76   and name HA  ))
      2.300     0.700     0.700 peak  1254 spectrum    1 weight  0.10000E+01 volume  0.23963E-02 ppm1      5.425 ppm2      5.012 CV     1
 ASSI { 1259}
   (( segid " 1SG" and resid 22   and name HA  ))
   (( segid " 1SG" and resid 22   and name HB  ))
      2.400     0.700     0.700 peak  1259 spectrum    1 weight  0.10000E+01 volume  0.23888E-02 ppm1      4.352 ppm2      1.534 CV     1
 ASSI { 1266}
   (  segid " 1SG" and resid 22   and name HD1%)
   (( segid " 1SG" and resid 14   and name HA1 ))
      2.500     0.800     0.800 peak  1266 spectrum    1 weight  0.10000E+01 volume  0.23659E-02 ppm1      0.548 ppm2      3.749 CV     1
 ASSI { 1267}
   (( segid " 1SG" and resid 59   and name HG  ))
   (( segid " 1SG" and resid 57   and name HG  ))
      3.200     3.200     2.800 peak  1267 spectrum    1 weight  0.10000E+01 volume  0.23649E-02 ppm1      1.460 ppm2      0.749 CV     1
 ASSI { 1272}
   (( segid " 1SG" and resid 58   and name HA  ))
   (( segid " 1SG" and resid 58   and name HB1 ))
      2.600     0.800     0.800 peak  1272 spectrum    1 weight  0.10000E+01 volume  0.23517E-02 ppm1      4.626 ppm2      2.405 CV     1
 OR { 1272}
   (( segid " 1SG" and resid 58   and name HA  ))
   (( segid " 1SG" and resid 58   and name HB2 ))
 ASSI { 1274}
   (( segid " 1SG" and resid 65   and name HA  ))
   (( segid " 1SG" and resid 65   and name HG1 ))
      2.700     0.900     0.900 peak  1274 spectrum    1 weight  0.10000E+01 volume  0.23419E-02 ppm1      3.458 ppm2      1.692 CV     1
 OR { 1274}
   (( segid " 1SG" and resid 65   and name HA  ))
   (( segid " 1SG" and resid 65   and name HG2 ))
 ASSI { 1281}
   (( segid " 1SG" and resid 49   and name HG  ))
   (( segid " 1SG" and resid 43   and name HD1 ))
      2.600     0.800     0.800 peak  1281 spectrum    1 weight  0.10000E+01 volume  0.23294E-02 ppm1      0.802 ppm2      1.337 CV     1
 OR { 1281}
   (( segid " 1SG" and resid 49   and name HG  ))
   (( segid " 1SG" and resid 43   and name HD2 ))
 ASSI { 1282}
   (( segid " 1SG" and resid 78   and name HA  ))
   (( segid " 1SG" and resid 78   and name HB2 ))
      2.600     0.800     0.800 peak  1282 spectrum    1 weight  0.10000E+01 volume  0.23272E-02 ppm1      4.117 ppm2      2.383 CV     1
 ASSI { 1285}
   (  segid " 1SG" and resid 8    and name HG2%)
   (( segid " 1SG" and resid 29   and name HA  ))
      2.700     0.900     0.900 peak  1285 spectrum    1 weight  0.10000E+01 volume  0.23224E-02 ppm1      0.964 ppm2      4.391 CV     1
 OR { 1285}
   (  segid " 1SG" and resid 8    and name HG1%)
   (( segid " 1SG" and resid 29   and name HA  ))
 ASSI { 1286}
   (  segid " 1SG" and resid 8    and name HG2%)
   (  segid " 1SG" and resid 6    and name HD2%)
      3.000     3.000     3.000 peak  1286 spectrum    1 weight  0.10000E+01 volume  0.23218E-02 ppm1      0.928 ppm2      0.476 CV     1
 ASSI { 1288}
   (( segid " 1SG" and resid 96   and name HA  ))
   (( segid " 1SG" and resid 94   and name HE1 ))
      2.800     1.000     1.000 peak  1288 spectrum    1 weight  0.10000E+01 volume  0.23067E-02 ppm1      4.809 ppm2      3.001 CV     1
 OR { 1288}
   (( segid " 1SG" and resid 96   and name HA  ))
   (( segid " 1SG" and resid 94   and name HE2 ))
 ASSI { 1297}
   (( segid " 1SG" and resid 52   and name HE2 ))
   (( segid " 1SG" and resid 52   and name HG1 ))
      2.900     1.000     1.000 peak  1297 spectrum    1 weight  0.10000E+01 volume  0.22919E-02 ppm1      2.788 ppm2      1.344 CV     1
 OR { 1297}
   (( segid " 1SG" and resid 52   and name HE2 ))
   (( segid " 1SG" and resid 52   and name HG2 ))
 ASSI { 1298}
   (( segid " 1SG" and resid 49   and name HG  ))
   (( segid " 1SG" and resid 43   and name HB2 ))
      2.200     0.600     0.600 peak  1298 spectrum    1 weight  0.10000E+01 volume  0.22896E-02 ppm1      0.801 ppm2      1.228 CV     1
 ASSI { 1302}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 22   and name HG12))
      2.500     0.800     0.800 peak  1302 spectrum    1 weight  0.10000E+01 volume  0.22816E-02 ppm1      0.611 ppm2      0.097 CV     1
 ASSI { 1303}
   (( segid " 1SG" and resid 94   and name HG2 ))
   (( segid " 1SG" and resid 94   and name HA  ))
      3.100     1.200     1.200 peak  1303 spectrum    1 weight  0.10000E+01 volume  0.22813E-02 ppm1      1.416 ppm2      4.044 CV     1
 OR { 1303}
   (( segid " 1SG" and resid 94   and name HG1 ))
   (( segid " 1SG" and resid 94   and name HA  ))
 ASSI { 1309}
   (( segid " 1SG" and resid 96   and name HA  ))
   (( segid " 1SG" and resid 96   and name HB2 ))
      2.600     0.900     0.900 peak  1309 spectrum    1 weight  0.10000E+01 volume  0.22746E-02 ppm1      4.786 ppm2      1.579 CV     1
 ASSI { 1319}
   (  segid " 1SG" and resid 76   and name HG2%)
   (( segid " 1SG" and resid 76   and name HA  ))
      2.600     0.800     0.800 peak  1319 spectrum    1 weight  0.10000E+01 volume  0.22539E-02 ppm1      0.823 ppm2      5.012 CV     1
 ASSI { 1323}
   (( segid " 1SG" and resid 9    and name HG2 ))
   (( segid " 1SG" and resid 9    and name HA  ))
      2.800     1.000     1.000 peak  1323 spectrum    1 weight  0.10000E+01 volume  0.22461E-02 ppm1      2.535 ppm2      4.651 CV     1
 ASSI { 1324}
   (  segid " 1SG" and resid 6    and name HD2%)
   (  segid " 1SG" and resid 93   and name HG2%)
      2.900     1.000     1.000 peak  1324 spectrum    1 weight  0.10000E+01 volume  0.22439E-02 ppm1      0.426 ppm2      1.033 CV     1
 ASSI { 1327}
   (( segid " 1SG" and resid 68   and name HE1 ))
   (( segid " 1SG" and resid 37   and name HD2 ))
      2.300     2.300     3.700 peak  1327 spectrum    1 weight  0.10000E+01 volume  0.22363E-02 ppm1      3.032 ppm2      2.376 CV     1
 OR { 1327}
   (( segid " 1SG" and resid 68   and name HE2 ))
   (( segid " 1SG" and resid 37   and name HD2 ))
 ASSI { 1333}
   (( segid " 1SG" and resid 3    and name HA  ))
   (( segid " 1SG" and resid 4    and name HB  ))
      3.400     1.500     1.500 peak  1333 spectrum    1 weight  0.10000E+01 volume  0.22192E-02 ppm1      4.450 ppm2      2.008 CV     1
 ASSI { 1335}
   (( segid " 1SG" and resid 27   and name HA  ))
   (( segid " 1SG" and resid 27   and name HB2 ))
      2.500     0.800     0.800 peak  1335 spectrum    1 weight  0.10000E+01 volume  0.22100E-02 ppm1      5.836 ppm2      1.599 CV     1
 OR { 1335}
   (( segid " 1SG" and resid 27   and name HA  ))
   (( segid " 1SG" and resid 27   and name HB1 ))
 ASSI { 1338}
   (( segid " 1SG" and resid 19   and name HA1 ))
   (( segid " 1SG" and resid 78   and name HA  ))
      2.800     1.000     1.000 peak  1338 spectrum    1 weight  0.10000E+01 volume  0.22039E-02 ppm1      4.274 ppm2      4.121 CV     1
 OR { 1338}
   (( segid " 1SG" and resid 19   and name HA2 ))
   (( segid " 1SG" and resid 78   and name HA  ))
 ASSI { 1343}
   (( segid " 1SG" and resid 35   and name HB2 ))
   (( segid " 1SG" and resid 35   and name HA  ))
      2.600     0.900     0.900 peak  1343 spectrum    1 weight  0.10000E+01 volume  0.21975E-02 ppm1      1.791 ppm2      4.667 CV     1
 OR { 1343}
   (( segid " 1SG" and resid 35   and name HB1 ))
   (( segid " 1SG" and resid 35   and name HA  ))
 ASSI { 1346}
   (  segid " 1SG" and resid 69   and name HG2%)
   (( segid " 1SG" and resid 67   and name HB2 ))
      2.800     1.000     1.000 peak  1346 spectrum    1 weight  0.10000E+01 volume  0.21916E-02 ppm1      0.868 ppm2      3.737 CV     1
 OR { 1346}
   (  segid " 1SG" and resid 69   and name HG2%)
   (( segid " 1SG" and resid 67   and name HB1 ))
 ASSI { 1351}
   (( segid " 1SG" and resid 59   and name HB2 ))
   (( segid " 1SG" and resid 59   and name HG  ))
      2.500     0.800     0.800 peak  1351 spectrum    1 weight  0.10000E+01 volume  0.21801E-02 ppm1      1.699 ppm2      1.439 CV     1
 OR { 1351}
   (( segid " 1SG" and resid 59   and name HB1 ))
   (( segid " 1SG" and resid 59   and name HG  ))
 ASSI { 1353}
   (  segid " 1SG" and resid 104  and name HD2%)
   (( segid " 1SG" and resid 104  and name HB2 ))
      3.200     1.200     1.200 peak  1353 spectrum    1 weight  0.10000E+01 volume  0.21789E-02 ppm1      0.836 ppm2      1.210 CV     1
 ASSI { 1356}
   (  segid " 1SG" and resid 91   and name HG1%)
   (  segid " 1SG" and resid 39   and name HG1%)
      3.200     1.300     1.300 peak  1356 spectrum    1 weight  0.10000E+01 volume  0.21642E-02 ppm1      0.170 ppm2     -0.067 CV     1
 OR { 1356}
   (  segid " 1SG" and resid 91   and name HG2%)
   (  segid " 1SG" and resid 39   and name HG1%)
 ASSI { 1365}
   (( segid " 1SG" and resid 34   and name HG  ))
   (( segid " 1SG" and resid 35   and name HG1 ))
      2.800     1.000     1.000 peak  1365 spectrum    1 weight  0.10000E+01 volume  0.21502E-02 ppm1      0.938 ppm2      1.372 CV     1
 OR { 1365}
   (( segid " 1SG" and resid 34   and name HG  ))
   (( segid " 1SG" and resid 35   and name HG2 ))
 ASSI { 1368}
   (  segid " 1SG" and resid 106  and name HG2%)
   (( segid " 1SG" and resid 81   and name HA  ))
      2.600     0.800     0.800 peak  1368 spectrum    1 weight  0.10000E+01 volume  0.21450E-02 ppm1      0.389 ppm2      4.015 CV     1
 ASSI { 1375}
   (  segid " 1SG" and resid 4    and name HG2%)
   (  segid " 1SG" and resid 6    and name HD1%)
      2.600     0.900     0.900 peak  1375 spectrum    1 weight  0.10000E+01 volume  0.21224E-02 ppm1      0.911 ppm2      0.677 CV     1
 ASSI { 1378}
   (( segid " 1SG" and resid 68   and name HG1 ))
   (( segid " 1SG" and resid 68   and name HA  ))
      2.600     0.900     0.900 peak  1378 spectrum    1 weight  0.10000E+01 volume  0.21207E-02 ppm1      1.279 ppm2      3.604 CV     1
 OR { 1378}
   (( segid " 1SG" and resid 68   and name HG2 ))
   (( segid " 1SG" and resid 68   and name HA  ))
 ASSI { 1382}
   (  segid " 1SG" and resid 49   and name HD2%)
   (  segid " 1SG" and resid 49   and name HD1%)
      2.500     0.800     0.800 peak  1382 spectrum    1 weight  0.10000E+01 volume  0.21143E-02 ppm1      1.033 ppm2      1.768 CV     1
 ASSI { 1390}
   (( segid " 1SG" and resid 45   and name HE2 ))
   (( segid " 1SG" and resid 45   and name HD2 ))
      2.700     0.900     0.900 peak  1390 spectrum    1 weight  0.10000E+01 volume  0.20980E-02 ppm1      2.582 ppm2      1.239 CV     1
 OR { 1390}
   (( segid " 1SG" and resid 45   and name HE2 ))
   (( segid " 1SG" and resid 45   and name HD1 ))
 ASSI { 1393}
   (  segid " 1SG" and resid 6    and name HD1%)
   (  segid " 1SG" and resid 91   and name HG2%)
      2.800     1.000     1.000 peak  1393 spectrum    1 weight  0.10000E+01 volume  0.20893E-02 ppm1      0.673 ppm2      0.183 CV     1
 OR { 1393}
   (  segid " 1SG" and resid 6    and name HD1%)
   (  segid " 1SG" and resid 91   and name HG1%)
 ASSI { 1397}
   (( segid " 1SG" and resid 22   and name HB  ))
   (  segid " 1SG" and resid 22   and name HD1%)
      2.700     0.900     0.900 peak  1397 spectrum    1 weight  0.10000E+01 volume  0.20812E-02 ppm1      1.541 ppm2      0.551 CV     1
 ASSI { 1399}
   (( segid " 1SG" and resid 31   and name HA  ))
   (( segid " 1SG" and resid 68   and name HD2 ))
      2.700     0.900     0.900 peak  1399 spectrum    1 weight  0.10000E+01 volume  0.20770E-02 ppm1      4.175 ppm2      1.683 CV     1
 OR { 1399}
   (( segid " 1SG" and resid 31   and name HA  ))
   (( segid " 1SG" and resid 68   and name HD1 ))
 ASSI { 1400}
   (( segid " 1SG" and resid 91   and name HA  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      2.700     0.900     0.900 peak  1400 spectrum    1 weight  0.10000E+01 volume  0.20749E-02 ppm1      4.748 ppm2      0.161 CV     1
 ASSI { 1402}
   (( segid " 1SG" and resid 68   and name HG2 ))
   (( segid " 1SG" and resid 68   and name HB2 ))
      2.800     1.000     1.000 peak  1402 spectrum    1 weight  0.10000E+01 volume  0.20708E-02 ppm1      1.273 ppm2      1.772 CV     1
 OR { 1402}
   (( segid " 1SG" and resid 68   and name HG1 ))
   (( segid " 1SG" and resid 68   and name HB2 ))
 ASSI { 1404}
   (( segid " 1SG" and resid 37   and name HA  ))
   (( segid " 1SG" and resid 37   and name HB2 ))
      2.900     1.100     1.100 peak  1404 spectrum    1 weight  0.10000E+01 volume  0.20674E-02 ppm1      4.505 ppm2      1.382 CV     1
 OR { 1404}
   (( segid " 1SG" and resid 37   and name HA  ))
   (( segid " 1SG" and resid 37   and name HG2 ))
 ASSI { 1406}
   (  segid " 1SG" and resid 53   and name HG1%)
   (( segid " 1SG" and resid 58   and name HA  ))
      2.800     1.000     1.000 peak  1406 spectrum    1 weight  0.10000E+01 volume  0.20624E-02 ppm1      1.121 ppm2      4.624 CV     1
 ASSI { 1408}
   (( segid " 1SG" and resid 28   and name HA  ))
   (  segid " 1SG" and resid 28   and name HG1%)
      2.600     0.900     0.900 peak  1408 spectrum    1 weight  0.10000E+01 volume  0.20577E-02 ppm1      4.915 ppm2      0.817 CV     1
 ASSI { 1420}
   (( segid " 1SG" and resid 75   and name HA  ))
   (( segid " 1SG" and resid 75   and name HB1 ))
      2.700     0.900     0.900 peak  1420 spectrum    1 weight  0.10000E+01 volume  0.20295E-02 ppm1      5.087 ppm2      2.897 CV     1
 OR { 1420}
   (( segid " 1SG" and resid 75   and name HA  ))
   (( segid " 1SG" and resid 75   and name HB2 ))
 ASSI { 1421}
   (( segid " 1SG" and resid 45   and name HD2 ))
   (  segid " 1SG" and resid 104  and name HD2%)
      3.000     3.000     3.000 peak  1421 spectrum    1 weight  0.10000E+01 volume  0.20281E-02 ppm1      1.234 ppm2      0.834 CV     1
 OR { 1421}
   (( segid " 1SG" and resid 45   and name HD1 ))
   (  segid " 1SG" and resid 104  and name HD2%)
 ASSI { 1426}
   (( segid " 1SG" and resid 2    and name HA  ))
   (( segid " 1SG" and resid 2    and name HB2 ))
      2.600     0.900     0.900 peak  1426 spectrum    1 weight  0.10000E+01 volume  0.20221E-02 ppm1      4.912 ppm2      2.661 CV     1
 ASSI { 1428}
   (( segid " 1SG" and resid 33   and name HG  ))
   (( segid " 1SG" and resid 37   and name HG2 ))
      3.200     3.200     2.800 peak  1428 spectrum    1 weight  0.10000E+01 volume  0.20211E-02 ppm1      0.929 ppm2      1.379 CV     1
 OR { 1428}
   (( segid " 1SG" and resid 33   and name HG  ))
   (( segid " 1SG" and resid 37   and name HB2 ))
 ASSI { 1433}
   (( segid " 1SG" and resid 105  and name HB  ))
   (( segid " 1SG" and resid 15   and name HA  ))
      2.600     0.900     0.900 peak  1433 spectrum    1 weight  0.10000E+01 volume  0.20168E-02 ppm1      3.901 ppm2      5.501 CV     1
 ASSI { 1435}
   (( segid " 1SG" and resid 12   and name HA  ))
   (( segid " 1SG" and resid 12   and name HG2 ))
      3.000     1.100     1.100 peak  1435 spectrum    1 weight  0.10000E+01 volume  0.20150E-02 ppm1      4.685 ppm2      2.479 CV     1
 OR { 1435}
   (( segid " 1SG" and resid 12   and name HA  ))
   (( segid " 1SG" and resid 12   and name HG1 ))
 ASSI { 1437}
   (( segid " 1SG" and resid 61   and name HA  ))
   (( segid " 1SG" and resid 61   and name HB2 ))
      2.900     1.000     1.000 peak  1437 spectrum    1 weight  0.10000E+01 volume  0.20136E-02 ppm1      5.569 ppm2      2.306 CV     1
 ASSI { 1443}
   (( segid " 1SG" and resid 22   and name HA  ))
   (( segid " 1SG" and resid 104  and name HB2 ))
      3.500     3.500     2.500 peak  1443 spectrum    1 weight  0.10000E+01 volume  0.20017E-02 ppm1      4.357 ppm2      1.253 CV     1
 ASSI { 1453}
   (( segid " 1SG" and resid 4    and name HA  ))
   (  segid " 1SG" and resid 4    and name HD1%)
      2.900     1.100     1.100 peak  1453 spectrum    1 weight  0.10000E+01 volume  0.19875E-02 ppm1      4.030 ppm2      0.969 CV     1
 ASSI { 1456}
   (( segid " 1SG" and resid 9    and name HA  ))
   (( segid " 1SG" and resid 27   and name HD2 ))
      3.200     1.300     1.300 peak  1456 spectrum    1 weight  0.10000E+01 volume  0.19801E-02 ppm1      4.631 ppm2      3.112 CV     1
 OR { 1456}
   (( segid " 1SG" and resid 9    and name HA  ))
   (( segid " 1SG" and resid 27   and name HD1 ))
 ASSI { 1457}
   (( segid " 1SG" and resid 57   and name HG  ))
   (  segid " 1SG" and resid 49   and name HD2%)
      2.600     0.800     0.800 peak  1457 spectrum    1 weight  0.10000E+01 volume  0.19800E-02 ppm1      0.752 ppm2      1.025 CV     1
 ASSI { 1461}
   (( segid " 1SG" and resid 12   and name HB2 ))
   (( segid " 1SG" and resid 12   and name HA  ))
      3.000     1.100     1.100 peak  1461 spectrum    1 weight  0.10000E+01 volume  0.19690E-02 ppm1      1.970 ppm2      4.684 CV     1
 ASSI { 1470}
   (  segid " 1SG" and resid 106  and name HG1%)
   (( segid " 1SG" and resid 104  and name HG  ))
      2.800     1.000     1.000 peak  1470 spectrum    1 weight  0.10000E+01 volume  0.19591E-02 ppm1      0.689 ppm2      1.337 CV     1
 ASSI { 1471}
   (  segid " 1SG" and resid 76   and name HG2%)
   (( segid " 1SG" and resid 76   and name HG12))
      2.600     0.800     0.800 peak  1471 spectrum    1 weight  0.10000E+01 volume  0.19581E-02 ppm1      0.820 ppm2      1.098 CV     1
 ASSI { 1479}
   (( segid " 1SG" and resid 53   and name HA  ))
   (  segid " 1SG" and resid 57   and name HD1%)
      2.600     0.800     0.800 peak  1479 spectrum    1 weight  0.10000E+01 volume  0.19438E-02 ppm1      4.059 ppm2      0.613 CV     1
 OR { 1479}
   (( segid " 1SG" and resid 53   and name HA  ))
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI { 1481}
   (( segid " 1SG" and resid 40   and name HA  ))
   (( segid " 1SG" and resid 40   and name HB2 ))
      2.600     0.900     0.900 peak  1481 spectrum    1 weight  0.10000E+01 volume  0.19432E-02 ppm1      4.549 ppm2      1.359 CV     1
 ASSI { 1490}
   (  segid " 1SG" and resid 77   and name HG2%)
   (( segid " 1SG" and resid 22   and name HB  ))
      3.100     3.100     2.900 peak  1490 spectrum    1 weight  0.10000E+01 volume  0.19230E-02 ppm1      1.074 ppm2      1.515 CV     1
 ASSI { 1493}
   (( segid " 1SG" and resid 21   and name HA  ))
   (( segid " 1SG" and resid 21   and name HB2 ))
      2.600     0.900     0.900 peak  1493 spectrum    1 weight  0.10000E+01 volume  0.19196E-02 ppm1      5.515 ppm2      3.764 CV     1
 ASSI { 1494}
   (( segid " 1SG" and resid 74   and name HB2 ))
   (  segid " 1SG" and resid 74   and name HD2%)
      2.800     1.000     1.000 peak  1494 spectrum    1 weight  0.10000E+01 volume  0.19191E-02 ppm1     -0.825 ppm2      0.419 CV     1
 OR { 1494}
   (( segid " 1SG" and resid 74   and name HB2 ))
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI { 1497}
   (( segid " 1SG" and resid 71   and name HB2 ))
   (  segid " 1SG" and resid 71   and name HD2%)
      2.700     0.900     0.900 peak  1497 spectrum    1 weight  0.10000E+01 volume  0.19158E-02 ppm1      1.272 ppm2      0.752 CV     1
 ASSI { 1504}
   (( segid " 1SG" and resid 105  and name HB  ))
   (( segid " 1SG" and resid 15   and name HG2 ))
      2.800     1.000     1.000 peak  1504 spectrum    1 weight  0.10000E+01 volume  0.19066E-02 ppm1      3.909 ppm2      2.266 CV     1
 OR { 1504}
   (( segid " 1SG" and resid 105  and name HB  ))
   (( segid " 1SG" and resid 15   and name HG1 ))
 ASSI { 1508}
   (( segid " 1SG" and resid 76   and name HB  ))
   (  segid " 1SG" and resid 76   and name HD1%)
      2.600     0.900     0.900 peak  1508 spectrum    1 weight  0.10000E+01 volume  0.18963E-02 ppm1      1.941 ppm2      0.670 CV     1
 ASSI { 1515}
   (( segid " 1SG" and resid 18   and name HA  ))
   (( segid " 1SG" and resid 18   and name HB  ))
      2.700     0.900     0.900 peak  1515 spectrum    1 weight  0.10000E+01 volume  0.18875E-02 ppm1      3.515 ppm2      1.933 CV     1
 ASSI { 1516}
   (( segid " 1SG" and resid 36   and name HB2 ))
   (( segid " 1SG" and resid 36   and name HG2 ))
      2.600     0.800     0.800 peak  1516 spectrum    1 weight  0.10000E+01 volume  0.18854E-02 ppm1      1.634 ppm2      1.985 CV     1
 ASSI { 1518}
   (( segid " 1SG" and resid 34   and name HA  ))
   (( segid " 1SG" and resid 94   and name HA  ))
      3.000     3.000     3.000 peak  1518 spectrum    1 weight  0.10000E+01 volume  0.18840E-02 ppm1      4.293 ppm2      4.063 CV     1
 ASSI { 1523}
   (( segid " 1SG" and resid 59   and name HG  ))
   (  segid " 1SG" and resid 57   and name HD2%)
      3.100     1.200     1.200 peak  1523 spectrum    1 weight  0.10000E+01 volume  0.18741E-02 ppm1      1.446 ppm2      0.612 CV     1
 OR { 1523}
   (( segid " 1SG" and resid 59   and name HG  ))
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI { 1527}
   (  segid " 1SG" and resid 6    and name HD1%)
   (  segid " 1SG" and resid 28   and name HG1%)
      2.800     1.000     1.000 peak  1527 spectrum    1 weight  0.10000E+01 volume  0.18663E-02 ppm1      0.670 ppm2      0.820 CV     1
 ASSI { 1529}
   (( segid " 1SG" and resid 25   and name HA  ))
   (( segid " 1SG" and resid 73   and name HA  ))
      2.500     0.800     0.800 peak  1529 spectrum    1 weight  0.10000E+01 volume  0.18650E-02 ppm1      5.692 ppm2      5.470 CV     1
 ASSI { 1545}
   (( segid " 1SG" and resid 14   and name HA2 ))
   (  segid " 1SG" and resid 22   and name HD1%)
      3.300     1.300     1.300 peak  1545 spectrum    1 weight  0.10000E+01 volume  0.18328E-02 ppm1      4.934 ppm2      0.546 CV     1
 ASSI { 1547}
   (  segid " 1SG" and resid 18   and name HG2%)
   (( segid " 1SG" and resid 81   and name HD2 ))
      3.200     1.300     1.300 peak  1547 spectrum    1 weight  0.10000E+01 volume  0.18296E-02 ppm1      0.966 ppm2      3.590 CV     1
 ASSI { 1554}
   (  segid " 1SG" and resid 71   and name HD2%)
   (  segid " 1SG" and resid 74   and name HD2%)
      3.100     3.100     2.900 peak  1554 spectrum    1 weight  0.10000E+01 volume  0.18195E-02 ppm1      0.716 ppm2      0.408 CV     1
 OR { 1554}
   (  segid " 1SG" and resid 71   and name HD2%)
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI { 1576}
   (( segid " 1SG" and resid 33   and name HA  ))
   (( segid " 1SG" and resid 33   and name HG  ))
      3.200     1.300     1.300 peak  1576 spectrum    1 weight  0.10000E+01 volume  0.17931E-02 ppm1      4.452 ppm2      0.920 CV     1
 ASSI { 1580}
   (( segid " 1SG" and resid 61   and name HB2 ))
   (( segid " 1SG" and resid 63   and name HB2 ))
      2.800     2.800     3.200 peak  1580 spectrum    1 weight  0.10000E+01 volume  0.17817E-02 ppm1      2.281 ppm2      2.543 CV     1
 ASSI { 1587}
   (  segid " 1SG" and resid 39   and name HG1%)
   (( segid " 1SG" and resid 39   and name HA  ))
      2.700     0.900     0.900 peak  1587 spectrum    1 weight  0.10000E+01 volume  0.17779E-02 ppm1     -0.057 ppm2      4.810 CV     1
 ASSI { 1598}
   (( segid " 1SG" and resid 53   and name HA  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      3.400     1.500     1.500 peak  1598 spectrum    1 weight  0.10000E+01 volume  0.17632E-02 ppm1      4.052 ppm2      1.467 CV     1
 ASSI { 1605}
   (( segid " 1SG" and resid 88   and name HB2 ))
   (( segid " 1SG" and resid 40   and name HD2 ))
      2.900     2.900     3.100 peak  1605 spectrum    1 weight  0.10000E+01 volume  0.17573E-02 ppm1      1.705 ppm2      1.711 CV     1
 OR { 1605}
   (( segid " 1SG" and resid 88   and name HB2 ))
   (( segid " 1SG" and resid 40   and name HD1 ))
 ASSI { 1616}
   (( segid " 1SG" and resid 108  and name HG2 ))
   (( segid " 1SG" and resid 108  and name HA  ))
      2.800     1.000     1.000 peak  1616 spectrum    1 weight  0.10000E+01 volume  0.17397E-02 ppm1      2.201 ppm2      4.149 CV     1
 OR { 1616}
   (( segid " 1SG" and resid 108  and name HG1 ))
   (( segid " 1SG" and resid 108  and name HA  ))
 ASSI { 1617}
   (( segid " 1SG" and resid 74   and name HB2 ))
   (  segid " 1SG" and resid 57   and name HD2%)
      3.500     1.600     1.600 peak  1617 spectrum    1 weight  0.10000E+01 volume  0.17393E-02 ppm1     -0.817 ppm2      0.626 CV     1
 OR { 1617}
   (( segid " 1SG" and resid 74   and name HB2 ))
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI { 1622}
   (( segid " 1SG" and resid 45   and name HG2 ))
   (( segid " 1SG" and resid 45   and name HA  ))
      2.800     1.000     1.000 peak  1622 spectrum    1 weight  0.10000E+01 volume  0.17362E-02 ppm1      0.599 ppm2      3.499 CV     1
 ASSI { 1624}
   (( segid " 1SG" and resid 68   and name HA  ))
   (( segid " 1SG" and resid 68   and name HB2 ))
      2.600     0.900     0.900 peak  1624 spectrum    1 weight  0.10000E+01 volume  0.17343E-02 ppm1      3.604 ppm2      1.772 CV     1
 ASSI { 1631}
   (( segid " 1SG" and resid 16   and name HB  ))
   (  segid " 1SG" and resid 22   and name HD1%)
      3.300     1.400     1.400 peak  1631 spectrum    1 weight  0.10000E+01 volume  0.17200E-02 ppm1      1.820 ppm2      0.552 CV     1
 ASSI { 1634}
   (  segid " 1SG" and resid 59   and name HD1%)
   (( segid " 1SG" and resid 43   and name HB2 ))
      3.400     3.400     2.600 peak  1634 spectrum    1 weight  0.10000E+01 volume  0.17117E-02 ppm1      0.832 ppm2      1.231 CV     1
 ASSI { 1636}
   (( segid " 1SG" and resid 8    and name HB  ))
   (( segid " 1SG" and resid 27   and name HB1 ))
      2.700     0.900     0.900 peak  1636 spectrum    1 weight  0.10000E+01 volume  0.17077E-02 ppm1      1.813 ppm2      1.600 CV     1
 OR { 1636}
   (( segid " 1SG" and resid 8    and name HB  ))
   (( segid " 1SG" and resid 27   and name HB2 ))
 ASSI { 1638}
   (( segid " 1SG" and resid 108  and name HA  ))
   (  segid " 1SG" and resid 18   and name HG1%)
      3.300     1.400     1.400 peak  1638 spectrum    1 weight  0.10000E+01 volume  0.17022E-02 ppm1      4.155 ppm2      1.005 CV     1
 ASSI { 1643}
   (( segid " 1SG" and resid 45   and name HB2 ))
   (( segid " 1SG" and resid 45   and name HA  ))
      2.900     1.000     1.000 peak  1643 spectrum    1 weight  0.10000E+01 volume  0.16977E-02 ppm1      0.604 ppm2      3.498 CV     1
 ASSI { 1653}
   (( segid " 1SG" and resid 4    and name HB  ))
   (( segid " 1SG" and resid 96   and name HB2 ))
      2.700     0.900     0.900 peak  1653 spectrum    1 weight  0.10000E+01 volume  0.16811E-02 ppm1      2.052 ppm2      1.589 CV     1
 ASSI { 1655}
   (  segid " 1SG" and resid 23   and name HG2%)
   (  segid " 1SG" and resid 22   and name HG2%)
      3.300     3.300     2.700 peak  1655 spectrum    1 weight  0.10000E+01 volume  0.16785E-02 ppm1      0.793 ppm2      0.557 CV     1
 ASSI { 1657}
   (( segid " 1SG" and resid 52   and name HD1 ))
   (( segid " 1SG" and resid 48   and name HB2 ))
      2.800     1.000     1.000 peak  1657 spectrum    1 weight  0.10000E+01 volume  0.16724E-02 ppm1      1.575 ppm2      2.922 CV     1
 OR { 1657}
   (( segid " 1SG" and resid 52   and name HD2 ))
   (( segid " 1SG" and resid 48   and name HB2 ))
 ASSI { 1660}
   (( segid " 1SG" and resid 76   and name HG12))
   (  segid " 1SG" and resid 57   and name HD2%)
      2.500     0.800     0.800 peak  1660 spectrum    1 weight  0.10000E+01 volume  0.16705E-02 ppm1      1.094 ppm2      0.621 CV     1
 OR { 1660}
   (( segid " 1SG" and resid 76   and name HG12))
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI { 1671}
   (( segid " 1SG" and resid 60   and name HB2 ))
   (( segid " 1SG" and resid 60   and name HA  ))
      3.000     1.200     1.200 peak  1671 spectrum    1 weight  0.10000E+01 volume  0.16568E-02 ppm1      2.975 ppm2      5.071 CV     1
 ASSI { 1672}
   (( segid " 1SG" and resid 43   and name HD1 ))
   (  segid " 1SG" and resid 49   and name HD1%)
      3.300     1.300     1.300 peak  1672 spectrum    1 weight  0.10000E+01 volume  0.16558E-02 ppm1      1.322 ppm2      1.761 CV     1
 OR { 1672}
   (( segid " 1SG" and resid 43   and name HD2 ))
   (  segid " 1SG" and resid 49   and name HD1%)
 ASSI { 1674}
   (( segid " 1SG" and resid 52   and name HB2 ))
   (( segid " 1SG" and resid 52   and name HG2 ))
      2.700     0.900     0.900 peak  1674 spectrum    1 weight  0.10000E+01 volume  0.16540E-02 ppm1      1.737 ppm2      1.330 CV     1
 OR { 1674}
   (( segid " 1SG" and resid 52   and name HB2 ))
   (( segid " 1SG" and resid 52   and name HG1 ))
 ASSI { 1676}
   (( segid " 1SG" and resid 36   and name HA  ))
   (( segid " 1SG" and resid 37   and name HD2 ))
      2.800     1.000     1.000 peak  1676 spectrum    1 weight  0.10000E+01 volume  0.16516E-02 ppm1      4.005 ppm2      2.360 CV     1
 ASSI { 1689}
   (( segid " 1SG" and resid 16   and name HA  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      3.100     1.200     1.200 peak  1689 spectrum    1 weight  0.10000E+01 volume  0.16360E-02 ppm1      4.604 ppm2      0.629 CV     1
 ASSI { 1694}
   (( segid " 1SG" and resid 57   and name HB2 ))
   (  segid " 1SG" and resid 57   and name HD2%)
      3.000     1.100     1.100 peak  1694 spectrum    1 weight  0.10000E+01 volume  0.16271E-02 ppm1      1.477 ppm2      0.615 CV     1
 OR { 1694}
   (( segid " 1SG" and resid 57   and name HB2 ))
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI { 1700}
   (( segid " 1SG" and resid 35   and name HG1 ))
   (( segid " 1SG" and resid 35   and name HA  ))
      3.300     1.300     1.300 peak  1700 spectrum    1 weight  0.10000E+01 volume  0.16216E-02 ppm1      1.361 ppm2      4.667 CV     1
 OR { 1700}
   (( segid " 1SG" and resid 35   and name HG2 ))
   (( segid " 1SG" and resid 35   and name HA  ))
 ASSI { 1703}
   (( segid " 1SG" and resid 25   and name HB2 ))
   (( segid " 1SG" and resid 25   and name HA  ))
      3.000     1.100     1.100 peak  1703 spectrum    1 weight  0.10000E+01 volume  0.16209E-02 ppm1      3.602 ppm2      5.692 CV     1
 ASSI { 1707}
   (( segid " 1SG" and resid 105  and name HA  ))
   (( segid " 1SG" and resid 84   and name HA  ))
      2.700     0.900     0.900 peak  1707 spectrum    1 weight  0.10000E+01 volume  0.16180E-02 ppm1      4.518 ppm2      4.230 CV     1
 ASSI { 1720}
   (( segid " 1SG" and resid 36   and name HA  ))
   (( segid " 1SG" and resid 36   and name HB2 ))
      3.100     1.200     1.200 peak  1720 spectrum    1 weight  0.10000E+01 volume  0.16056E-02 ppm1      4.007 ppm2      1.642 CV     1
 ASSI { 1726}
   (( segid " 1SG" and resid 88   and name HA  ))
   (( segid " 1SG" and resid 100  and name HB2 ))
      3.100     3.100     2.900 peak  1726 spectrum    1 weight  0.10000E+01 volume  0.15979E-02 ppm1      5.349 ppm2      2.953 CV     1
 ASSI { 1727}
   (  segid " 1SG" and resid 104  and name HD1%)
   (  segid " 1SG" and resid 24   and name HE% )
      3.100     1.200     1.200 peak  1727 spectrum    1 weight  0.10000E+01 volume  0.15960E-02 ppm1      0.987 ppm2      7.171 CV     1
 ASSI { 1730}
   (  segid " 1SG" and resid 49   and name HD2%)
   (( segid " 1SG" and resid 59   and name HB2 ))
      2.700     0.900     0.900 peak  1730 spectrum    1 weight  0.10000E+01 volume  0.15953E-02 ppm1      1.042 ppm2      1.718 CV     1
 OR { 1730}
   (  segid " 1SG" and resid 49   and name HD2%)
   (( segid " 1SG" and resid 59   and name HB1 ))
 ASSI { 1748}
   (( segid " 1SG" and resid 23   and name HB  ))
   (( segid " 1SG" and resid 23   and name HA  ))
      2.900     1.000     1.000 peak  1748 spectrum    1 weight  0.10000E+01 volume  0.15712E-02 ppm1      3.583 ppm2      5.116 CV     1
 ASSI { 1752}
   (  segid " 1SG" and resid 74   and name HD1%)
   (  segid " 1SG" and resid 59   and name HD1%)
      3.100     1.200     1.200 peak  1752 spectrum    1 weight  0.10000E+01 volume  0.15625E-02 ppm1      0.412 ppm2      0.852 CV     1
 OR { 1752}
   (  segid " 1SG" and resid 74   and name HD2%)
   (  segid " 1SG" and resid 59   and name HD1%)
 ASSI { 1760}
   (( segid " 1SG" and resid 49   and name HB2 ))
   (( segid " 1SG" and resid 52   and name HB2 ))
      3.300     1.300     1.300 peak  1760 spectrum    1 weight  0.10000E+01 volume  0.15509E-02 ppm1      1.571 ppm2      1.728 CV     1
 ASSI { 1764}
   (  segid " 1SG" and resid 76   and name HG2%)
   (( segid " 1SG" and resid 79   and name HA  ))
      2.800     1.000     1.000 peak  1764 spectrum    1 weight  0.10000E+01 volume  0.15458E-02 ppm1      0.825 ppm2      3.685 CV     1
 ASSI { 1771}
   (( segid " 1SG" and resid 36   and name HD2 ))
   (( segid " 1SG" and resid 36   and name HG2 ))
      2.600     0.900     0.900 peak  1771 spectrum    1 weight  0.10000E+01 volume  0.15409E-02 ppm1      3.510 ppm2      1.963 CV     1
 ASSI { 1789}
   (( segid " 1SG" and resid 9    and name HB2 ))
   (( segid " 1SG" and resid 9    and name HA  ))
      2.800     1.000     1.000 peak  1789 spectrum    1 weight  0.10000E+01 volume  0.15299E-02 ppm1      1.915 ppm2      4.655 CV     1
 ASSI { 1791}
   (( segid " 1SG" and resid 8    and name HB  ))
   (( segid " 1SG" and resid 8    and name HA  ))
      2.900     1.000     1.000 peak  1791 spectrum    1 weight  0.10000E+01 volume  0.15277E-02 ppm1      1.840 ppm2      4.168 CV     1
 ASSI { 1800}
   (  segid " 1SG" and resid 18   and name HG2%)
   (( segid " 1SG" and resid 80   and name HE21))
      3.100     3.100     2.900 peak  1800 spectrum    1 weight  0.10000E+01 volume  0.15184E-02 ppm1      0.979 ppm2      6.971 CV     1
 ASSI { 1802}
   (( segid " 1SG" and resid 72   and name HB2 ))
   (( segid " 1SG" and resid 72   and name HA  ))
      2.900     1.000     1.000 peak  1802 spectrum    1 weight  0.10000E+01 volume  0.15148E-02 ppm1      2.934 ppm2      5.351 CV     1
 ASSI { 1807}
   (( segid " 1SG" and resid 92   and name HB1 ))
   (  segid " 1SG" and resid 93   and name HG2%)
      3.300     3.300     2.700 peak  1807 spectrum    1 weight  0.10000E+01 volume  0.15100E-02 ppm1      3.877 ppm2      1.043 CV     1
 OR { 1807}
   (( segid " 1SG" and resid 92   and name HB2 ))
   (  segid " 1SG" and resid 93   and name HG2%)
 ASSI { 1808}
   (( segid " 1SG" and resid 6    and name HG  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      2.700     0.900     0.900 peak  1808 spectrum    1 weight  0.10000E+01 volume  0.15084E-02 ppm1      1.340 ppm2      0.494 CV     1
 ASSI { 1809}
   (( segid " 1SG" and resid 24   and name HA  ))
   (( segid " 1SG" and resid 24   and name HB2 ))
      3.100     1.200     1.200 peak  1809 spectrum    1 weight  0.10000E+01 volume  0.15084E-02 ppm1      4.619 ppm2      2.415 CV     1
 ASSI { 1811}
   (  segid " 1SG" and resid 59   and name HD1%)
   (( segid " 1SG" and resid 50   and name HA  ))
      2.900     1.000     1.000 peak  1811 spectrum    1 weight  0.10000E+01 volume  0.15041E-02 ppm1      0.869 ppm2      3.945 CV     1
 ASSI { 1812}
   (( segid " 1SG" and resid 103  and name HB2 ))
   (( segid " 1SG" and resid 103  and name HA  ))
      3.100     1.200     1.200 peak  1812 spectrum    1 weight  0.10000E+01 volume  0.15041E-02 ppm1      2.506 ppm2      5.551 CV     1
 ASSI { 1815}
   (( segid " 1SG" and resid 105  and name HA  ))
   (( segid " 1SG" and resid 105  and name HB  ))
      2.900     1.000     1.000 peak  1815 spectrum    1 weight  0.10000E+01 volume  0.15024E-02 ppm1      4.515 ppm2      3.913 CV     1
 ASSI { 1823}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 104  and name HB2 ))
      3.100     1.200     1.200 peak  1823 spectrum    1 weight  0.10000E+01 volume  0.14963E-02 ppm1      0.619 ppm2      1.254 CV     1
 ASSI { 1826}
   (  segid " 1SG" and resid 91   and name HG2%)
   (  segid " 1SG" and resid 93   and name HG2%)
      3.200     1.300     1.300 peak  1826 spectrum    1 weight  0.10000E+01 volume  0.14921E-02 ppm1      0.186 ppm2      1.045 CV     1
 OR { 1826}
   (  segid " 1SG" and resid 91   and name HG1%)
   (  segid " 1SG" and resid 93   and name HG2%)
 ASSI { 1831}
   (  segid " 1SG" and resid 49   and name HD2%)
   (( segid " 1SG" and resid 49   and name HB2 ))
      3.000     1.100     1.100 peak  1831 spectrum    1 weight  0.10000E+01 volume  0.14869E-02 ppm1      1.030 ppm2      1.580 CV     1
 ASSI { 1841}
   (( segid " 1SG" and resid 52   and name HB2 ))
   (( segid " 1SG" and resid 52   and name HA  ))
      3.000     1.100     1.100 peak  1841 spectrum    1 weight  0.10000E+01 volume  0.14755E-02 ppm1      1.738 ppm2      4.629 CV     1
 ASSI { 1843}
   (( segid " 1SG" and resid 58   and name HA  ))
   (( segid " 1SG" and resid 58   and name HG2 ))
      3.400     1.400     1.400 peak  1843 spectrum    1 weight  0.10000E+01 volume  0.14746E-02 ppm1      4.621 ppm2      1.817 CV     1
 ASSI { 1852}
   (( segid " 1SG" and resid 69   and name HA  ))
   (( segid " 1SG" and resid 29   and name HA  ))
      2.800     1.000     1.000 peak  1852 spectrum    1 weight  0.10000E+01 volume  0.14594E-02 ppm1      4.592 ppm2      4.392 CV     1
 ASSI { 1853}
   (( segid " 1SG" and resid 57   and name HG  ))
   (( segid " 1SG" and resid 49   and name HB2 ))
      3.400     1.400     1.400 peak  1853 spectrum    1 weight  0.10000E+01 volume  0.14587E-02 ppm1      0.753 ppm2      1.558 CV     1
 ASSI { 1858}
   (( segid " 1SG" and resid 96   and name HB2 ))
   (( segid " 1SG" and resid 4    and name HG12))
      2.700     0.900     0.900 peak  1858 spectrum    1 weight  0.10000E+01 volume  0.14526E-02 ppm1      1.612 ppm2      1.245 CV     1
 ASSI { 1870}
   (( segid " 1SG" and resid 15   and name HA  ))
   (( segid " 1SG" and resid 15   and name HG2 ))
      2.900     1.100     1.100 peak  1870 spectrum    1 weight  0.10000E+01 volume  0.14391E-02 ppm1      5.504 ppm2      2.280 CV     1
 OR { 1870}
   (( segid " 1SG" and resid 15   and name HA  ))
   (( segid " 1SG" and resid 15   and name HG1 ))
 ASSI { 1875}
   (( segid " 1SG" and resid 22   and name HB  ))
   (( segid " 1SG" and resid 104  and name HB2 ))
      3.300     1.300     1.300 peak  1875 spectrum    1 weight  0.10000E+01 volume  0.14365E-02 ppm1      1.541 ppm2      1.250 CV     1
 ASSI { 1880}
   (( segid " 1SG" and resid 56   and name HA  ))
   (( segid " 1SG" and resid 56   and name HB2 ))
      2.900     1.100     1.100 peak  1880 spectrum    1 weight  0.10000E+01 volume  0.14326E-02 ppm1      4.971 ppm2      3.108 CV     1
 ASSI { 1884}
   (( segid " 1SG" and resid 52   and name HG1 ))
   (( segid " 1SG" and resid 53   and name HB  ))
      3.600     3.600     2.400 peak  1884 spectrum    1 weight  0.10000E+01 volume  0.14310E-02 ppm1      1.340 ppm2      2.157 CV     1
 OR { 1884}
   (( segid " 1SG" and resid 52   and name HG2 ))
   (( segid " 1SG" and resid 53   and name HB  ))
 ASSI { 1886}
   (( segid " 1SG" and resid 18   and name HA  ))
   (  segid " 1SG" and resid 79   and name HB% )
      3.000     1.100     1.100 peak  1886 spectrum    1 weight  0.10000E+01 volume  0.14304E-02 ppm1      3.516 ppm2      1.196 CV     1
 ASSI { 1887}
   (( segid " 1SG" and resid 4    and name HB  ))
   (( segid " 1SG" and resid 4    and name HA  ))
      2.900     1.000     1.000 peak  1887 spectrum    1 weight  0.10000E+01 volume  0.14303E-02 ppm1      2.054 ppm2      4.033 CV     1
 ASSI { 1888}
   (( segid " 1SG" and resid 37   and name HB2 ))
   (( segid " 1SG" and resid 37   and name HA  ))
      3.000     1.100     1.100 peak  1888 spectrum    1 weight  0.10000E+01 volume  0.14296E-02 ppm1      1.383 ppm2      4.501 CV     1
 ASSI { 1889}
   (( segid " 1SG" and resid 91   and name HA  ))
   (( segid " 1SG" and resid 91   and name HB  ))
      2.600     0.900     0.900 peak  1889 spectrum    1 weight  0.10000E+01 volume  0.14292E-02 ppm1      4.743 ppm2      1.134 CV     1
 ASSI { 1895}
   (( segid " 1SG" and resid 6    and name HG  ))
   (  segid " 1SG" and resid 6    and name HD1%)
      2.700     0.900     0.900 peak  1895 spectrum    1 weight  0.10000E+01 volume  0.14246E-02 ppm1      1.341 ppm2      0.677 CV     1
 ASSI { 1898}
   (( segid " 1SG" and resid 49   and name HA  ))
   (( segid " 1SG" and resid 52   and name HB2 ))
      2.600     0.800     0.800 peak  1898 spectrum    1 weight  0.10000E+01 volume  0.14241E-02 ppm1      3.862 ppm2      1.730 CV     1
 ASSI { 1902}
   (( segid " 1SG" and resid 27   and name HA  ))
   (( segid " 1SG" and resid 71   and name HA  ))
      2.600     0.800     0.800 peak  1902 spectrum    1 weight  0.10000E+01 volume  0.14192E-02 ppm1      5.835 ppm2      5.076 CV     1
 ASSI { 1905}
   (  segid " 1SG" and resid 104  and name HD1%)
   (( segid " 1SG" and resid 14   and name HA1 ))
      2.900     1.100     1.100 peak  1905 spectrum    1 weight  0.10000E+01 volume  0.14145E-02 ppm1      0.975 ppm2      3.753 CV     1
 ASSI { 1907}
   (( segid " 1SG" and resid 4    and name HB  ))
   (( segid " 1SG" and resid 4    and name HG12))
      2.700     0.900     0.900 peak  1907 spectrum    1 weight  0.10000E+01 volume  0.14090E-02 ppm1      2.046 ppm2      1.247 CV     1
 ASSI { 1908}
   (( segid " 1SG" and resid 45   and name HG2 ))
   (( segid " 1SG" and resid 45   and name HD1 ))
      2.900     1.100     1.100 peak  1908 spectrum    1 weight  0.10000E+01 volume  0.14087E-02 ppm1      0.596 ppm2      1.238 CV     1
 OR { 1908}
   (( segid " 1SG" and resid 45   and name HG2 ))
   (( segid " 1SG" and resid 45   and name HD2 ))
 ASSI { 1924}
   (( segid " 1SG" and resid 43   and name HB2 ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      3.200     3.200     2.800 peak  1924 spectrum    1 weight  0.10000E+01 volume  0.13869E-02 ppm1      1.237 ppm2      1.469 CV     1
 ASSI { 1936}
   (  segid " 1SG" and resid 39   and name HG2%)
   (  segid " 1SG" and resid 28   and name HG2%)
      2.900     1.000     1.000 peak  1936 spectrum    1 weight  0.10000E+01 volume  0.13807E-02 ppm1     -0.444 ppm2      0.644 CV     1
 ASSI { 1941}
   (  segid " 1SG" and resid 26   and name HB% )
   (  segid " 1SG" and resid 28   and name HG2%)
      2.900     1.100     1.100 peak  1941 spectrum    1 weight  0.10000E+01 volume  0.13743E-02 ppm1      1.468 ppm2      0.658 CV     1
 ASSI { 1950}
   (( segid " 1SG" and resid 24   and name HA  ))
   (( segid " 1SG" and resid 12   and name HG2 ))
      2.500     2.500     3.500 peak  1950 spectrum    1 weight  0.10000E+01 volume  0.13682E-02 ppm1      4.620 ppm2      2.453 CV     1
 OR { 1950}
   (( segid " 1SG" and resid 24   and name HA  ))
   (( segid " 1SG" and resid 12   and name HG1 ))
 ASSI { 1953}
   (  segid " 1SG" and resid 8    and name HG1%)
   (( segid " 1SG" and resid 27   and name HD1 ))
      3.100     1.200     1.200 peak  1953 spectrum    1 weight  0.10000E+01 volume  0.13665E-02 ppm1      0.980 ppm2      3.114 CV     1
 OR { 1953}
   (  segid " 1SG" and resid 8    and name HG1%)
   (( segid " 1SG" and resid 27   and name HD2 ))
 OR { 1953}
   (  segid " 1SG" and resid 8    and name HG2%)
   (( segid " 1SG" and resid 27   and name HD1 ))
 OR { 1953}
   (  segid " 1SG" and resid 8    and name HG2%)
   (( segid " 1SG" and resid 27   and name HD2 ))
 ASSI { 1956}
   (( segid " 1SG" and resid 83   and name HA  ))
   (( segid " 1SG" and resid 83   and name HB2 ))
      2.900     1.000     1.000 peak  1956 spectrum    1 weight  0.10000E+01 volume  0.13650E-02 ppm1      4.609 ppm2      3.190 CV     1
 ASSI { 1965}
   (( segid " 1SG" and resid 83   and name HA  ))
   (( segid " 1SG" and resid 44   and name HA2 ))
      3.400     3.400     2.600 peak  1965 spectrum    1 weight  0.10000E+01 volume  0.13572E-02 ppm1      4.568 ppm2      3.808 CV     1
 ASSI { 1969}
   (( segid " 1SG" and resid 12   and name HB2 ))
   (  segid " 1SG" and resid 22   and name HD1%)
      2.900     2.900     3.100 peak  1969 spectrum    1 weight  0.10000E+01 volume  0.13527E-02 ppm1      1.944 ppm2      0.544 CV     1
 ASSI { 1970}
   (  segid " 1SG" and resid 91   and name HG2%)
   (( segid " 1SG" and resid 38   and name HA  ))
      3.300     1.300     1.300 peak  1970 spectrum    1 weight  0.10000E+01 volume  0.13510E-02 ppm1      0.115 ppm2      3.907 CV     1
 ASSI { 1977}
   (  segid " 1SG" and resid 38   and name HG2%)
   (( segid " 1SG" and resid 35   and name HD2 ))
      3.000     1.200     1.200 peak  1977 spectrum    1 weight  0.10000E+01 volume  0.13462E-02 ppm1      0.817 ppm2      1.643 CV     1
 OR { 1977}
   (  segid " 1SG" and resid 38   and name HG2%)
   (( segid " 1SG" and resid 35   and name HD1 ))
 OR { 1977}
   (  segid " 1SG" and resid 38   and name HG1%)
   (( segid " 1SG" and resid 35   and name HD2 ))
 OR { 1977}
   (  segid " 1SG" and resid 38   and name HG1%)
   (( segid " 1SG" and resid 35   and name HD1 ))
 ASSI { 1987}
   (( segid " 1SG" and resid 36   and name HD2 ))
   (( segid " 1SG" and resid 35   and name HB1 ))
      2.700     0.900     0.900 peak  1987 spectrum    1 weight  0.10000E+01 volume  0.13339E-02 ppm1      3.509 ppm2      1.780 CV     1
 OR { 1987}
   (( segid " 1SG" and resid 36   and name HD2 ))
   (( segid " 1SG" and resid 35   and name HB2 ))
 ASSI { 1991}
   (  segid " 1SG" and resid 18   and name HG1%)
   (( segid " 1SG" and resid 81   and name HD2 ))
      3.600     1.600     1.600 peak  1991 spectrum    1 weight  0.10000E+01 volume  0.13298E-02 ppm1      1.013 ppm2      3.582 CV     1
 ASSI { 1993}
   (( segid " 1SG" and resid 71   and name HA  ))
   (( segid " 1SG" and resid 71   and name HB2 ))
      2.600     0.900     0.900 peak  1993 spectrum    1 weight  0.10000E+01 volume  0.13279E-02 ppm1      5.070 ppm2      1.269 CV     1
 ASSI { 1994}
   (( segid " 1SG" and resid 103  and name HA  ))
   (( segid " 1SG" and resid 86   and name HA2 ))
      2.700     0.900     0.900 peak  1994 spectrum    1 weight  0.10000E+01 volume  0.13275E-02 ppm1      5.554 ppm2      4.675 CV     1
 ASSI { 1996}
   (( segid " 1SG" and resid 81   and name HD2 ))
   (( segid " 1SG" and resid 80   and name HG1 ))
      2.900     1.100     1.100 peak  1996 spectrum    1 weight  0.10000E+01 volume  0.13264E-02 ppm1      3.576 ppm2      2.181 CV     1
 OR { 1996}
   (( segid " 1SG" and resid 81   and name HD2 ))
   (( segid " 1SG" and resid 80   and name HG2 ))
 ASSI { 2006}
   (( segid " 1SG" and resid 22   and name HA  ))
   (  segid " 1SG" and resid 22   and name HD1%)
      2.800     1.000     1.000 peak  2006 spectrum    1 weight  0.10000E+01 volume  0.13157E-02 ppm1      4.352 ppm2      0.547 CV     1
 ASSI { 2008}
   (( segid " 1SG" and resid 33   and name HG  ))
   (( segid " 1SG" and resid 35   and name HA  ))
      3.000     1.100     1.100 peak  2008 spectrum    1 weight  0.10000E+01 volume  0.13152E-02 ppm1      0.923 ppm2      4.674 CV     1
 ASSI { 2016}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 22   and name HA  ))
      3.200     1.300     1.300 peak  2016 spectrum    1 weight  0.10000E+01 volume  0.13095E-02 ppm1      0.604 ppm2      4.356 CV     1
 ASSI { 2017}
   (( segid " 1SG" and resid 90   and name HA  ))
   (( segid " 1SG" and resid 99   and name HA  ))
      2.800     1.000     1.000 peak  2017 spectrum    1 weight  0.10000E+01 volume  0.13092E-02 ppm1      4.768 ppm2      5.709 CV     1
 ASSI { 2018}
   (( segid " 1SG" and resid 68   and name HE1 ))
   (( segid " 1SG" and resid 37   and name HG2 ))
      2.500     2.500     3.500 peak  2018 spectrum    1 weight  0.10000E+01 volume  0.13080E-02 ppm1      3.019 ppm2      1.361 CV     1
 OR { 2018}
   (( segid " 1SG" and resid 68   and name HE2 ))
   (( segid " 1SG" and resid 37   and name HG2 ))
 OR { 2018}
   (( segid " 1SG" and resid 68   and name HE1 ))
   (( segid " 1SG" and resid 37   and name HB2 ))
 OR { 2018}
   (( segid " 1SG" and resid 68   and name HE2 ))
   (( segid " 1SG" and resid 37   and name HB2 ))
 ASSI { 2024}
   (  segid " 1SG" and resid 49   and name HD2%)
   (  segid " 1SG" and resid 87   and name HD% )
      2.800     1.000     1.000 peak  2024 spectrum    1 weight  0.10000E+01 volume  0.13018E-02 ppm1      1.029 ppm2      6.809 CV     1
 ASSI { 2025}
   (( segid " 1SG" and resid 4    and name HA  ))
   (( segid " 1SG" and resid 4    and name HG12))
      3.800     1.800     1.800 peak  2025 spectrum    1 weight  0.10000E+01 volume  0.13012E-02 ppm1      4.024 ppm2      1.245 CV     1
 ASSI { 2029}
   (( segid " 1SG" and resid 56   and name HA  ))
   (  segid " 1SG" and resid 77   and name HG2%)
      3.200     1.300     1.300 peak  2029 spectrum    1 weight  0.10000E+01 volume  0.13002E-02 ppm1      4.981 ppm2      1.049 CV     1
 ASSI { 2032}
   (( segid " 1SG" and resid 40   and name HG2 ))
   (( segid " 1SG" and resid 40   and name HA  ))
      3.300     1.300     1.300 peak  2032 spectrum    1 weight  0.10000E+01 volume  0.12989E-02 ppm1      1.255 ppm2      4.552 CV     1
 OR { 2032}
   (( segid " 1SG" and resid 40   and name HG1 ))
   (( segid " 1SG" and resid 40   and name HA  ))
 ASSI { 2045}
   (( segid " 1SG" and resid 108  and name HG2 ))
   (  segid " 1SG" and resid 18   and name HG2%)
      3.100     1.200     1.200 peak  2045 spectrum    1 weight  0.10000E+01 volume  0.12872E-02 ppm1      2.191 ppm2      0.964 CV     1
 OR { 2045}
   (( segid " 1SG" and resid 108  and name HG1 ))
   (  segid " 1SG" and resid 18   and name HG2%)
 OR { 2045}
   (( segid " 1SG" and resid 108  and name HG1 ))
   (  segid " 1SG" and resid 18   and name HG1%)
 ASSI { 2047}
   (( segid " 1SG" and resid 40   and name HB2 ))
   (( segid " 1SG" and resid 40   and name HD1 ))
      2.800     1.000     1.000 peak  2047 spectrum    1 weight  0.10000E+01 volume  0.12857E-02 ppm1      1.370 ppm2      1.689 CV     1
 OR { 2047}
   (( segid " 1SG" and resid 40   and name HB2 ))
   (( segid " 1SG" and resid 40   and name HD2 ))
 ASSI { 2053}
   (( segid " 1SG" and resid 27   and name HD1 ))
   (  segid " 1SG" and resid 8    and name HG1%)
      3.000     1.100     1.100 peak  2053 spectrum    1 weight  0.10000E+01 volume  0.12814E-02 ppm1      3.129 ppm2      0.966 CV     1
 OR { 2053}
   (( segid " 1SG" and resid 27   and name HD2 ))
   (  segid " 1SG" and resid 8    and name HG1%)
 OR { 2053}
   (( segid " 1SG" and resid 27   and name HD1 ))
   (  segid " 1SG" and resid 8    and name HG2%)
 ASSI { 2066}
   (( segid " 1SG" and resid 10   and name HB2 ))
   (  segid " 1SG" and resid 26   and name HB% )
      3.500     3.500     2.500 peak  2066 spectrum    1 weight  0.10000E+01 volume  0.12678E-02 ppm1      1.238 ppm2      1.481 CV     1
 ASSI { 2073}
   (  segid " 1SG" and resid 76   and name HD1%)
   (  segid " 1SG" and resid 24   and name HE% )
      2.800     1.000     1.000 peak  2073 spectrum    1 weight  0.10000E+01 volume  0.12615E-02 ppm1      0.676 ppm2      7.166 CV     1
 ASSI { 2078}
   (  segid " 1SG" and resid 69   and name HG1%)
   (( segid " 1SG" and resid 27   and name HA  ))
      3.200     1.200     1.200 peak  2078 spectrum    1 weight  0.10000E+01 volume  0.12577E-02 ppm1      0.856 ppm2      5.839 CV     1
 ASSI { 2079}
   (  segid " 1SG" and resid 77   and name HG2%)
   (( segid " 1SG" and resid 21   and name HB2 ))
      3.000     1.100     1.100 peak  2079 spectrum    1 weight  0.10000E+01 volume  0.12568E-02 ppm1      1.049 ppm2      3.757 CV     1
 ASSI { 2082}
   (( segid " 1SG" and resid 21   and name HA  ))
   (( segid " 1SG" and resid 20   and name HN  ))
      3.100     3.100     2.900 peak  2082 spectrum    1 weight  0.10000E+01 volume  0.12554E-02 ppm1      5.517 ppm2      8.843 CV     1
 ASSI { 2087}
   (( segid " 1SG" and resid 58   and name HG2 ))
   (( segid " 1SG" and resid 75   and name HB2 ))
      3.100     1.200     1.200 peak  2087 spectrum    1 weight  0.10000E+01 volume  0.12498E-02 ppm1      1.816 ppm2      2.887 CV     1
 OR { 2087}
   (( segid " 1SG" and resid 58   and name HG2 ))
   (( segid " 1SG" and resid 75   and name HB1 ))
 ASSI { 2091}
   (( segid " 1SG" and resid 38   and name HA  ))
   (( segid " 1SG" and resid 38   and name HB  ))
      3.000     1.100     1.100 peak  2091 spectrum    1 weight  0.10000E+01 volume  0.12479E-02 ppm1      3.896 ppm2      1.900 CV     1
 ASSI { 2110}
   (( segid " 1SG" and resid 37   and name HD2 ))
   (( segid " 1SG" and resid 37   and name HG2 ))
      2.800     1.000     1.000 peak  2110 spectrum    1 weight  0.10000E+01 volume  0.12355E-02 ppm1      2.368 ppm2      1.373 CV     1
 OR { 2110}
   (( segid " 1SG" and resid 37   and name HD2 ))
   (( segid " 1SG" and resid 37   and name HB2 ))
 ASSI { 2121}
   (( segid " 1SG" and resid 76   and name HA  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      3.100     1.200     1.200 peak  2121 spectrum    1 weight  0.10000E+01 volume  0.12285E-02 ppm1      5.017 ppm2      1.434 CV     1
 ASSI { 2125}
   (( segid " 1SG" and resid 73   and name HB2 ))
   (  segid " 1SG" and resid 23   and name HG2%)
      3.000     1.200     1.200 peak  2125 spectrum    1 weight  0.10000E+01 volume  0.12254E-02 ppm1      1.540 ppm2      0.786 CV     1
 ASSI { 2146}
   (( segid " 1SG" and resid 65   and name HD2 ))
   (  segid " 1SG" and resid 31   and name HB% )
      3.300     3.300     2.700 peak  2146 spectrum    1 weight  0.10000E+01 volume  0.12123E-02 ppm1      3.242 ppm2      1.551 CV     1
 OR { 2146}
   (( segid " 1SG" and resid 65   and name HD1 ))
   (  segid " 1SG" and resid 31   and name HB% )
 ASSI { 2158}
   (( segid " 1SG" and resid 22   and name HA  ))
   (( segid " 1SG" and resid 22   and name HG12))
      3.400     1.500     1.500 peak  2158 spectrum    1 weight  0.10000E+01 volume  0.12071E-02 ppm1      4.352 ppm2      0.101 CV     1
 ASSI { 2171}
   (( segid " 1SG" and resid 83   and name HA  ))
   (  segid " 1SG" and resid 83   and name HD% )
      2.800     1.000     1.000 peak  2171 spectrum    1 weight  0.10000E+01 volume  0.11991E-02 ppm1      4.623 ppm2      7.128 CV     1
 ASSI { 2173}
   (( segid " 1SG" and resid 48   and name HA  ))
   (( segid " 1SG" and resid 42   and name HA  ))
      2.900     1.000     1.000 peak  2173 spectrum    1 weight  0.10000E+01 volume  0.11964E-02 ppm1      4.223 ppm2      5.804 CV     1
 ASSI { 2179}
   (( segid " 1SG" and resid 102  and name HB2 ))
   (( segid " 1SG" and resid 100  and name HB2 ))
      3.600     3.600     2.400 peak  2179 spectrum    1 weight  0.10000E+01 volume  0.11939E-02 ppm1      2.746 ppm2      2.972 CV     1
 ASSI { 2183}
   (( segid " 1SG" and resid 77   and name HA  ))
   (( segid " 1SG" and resid 21   and name HB2 ))
      3.300     1.300     1.300 peak  2183 spectrum    1 weight  0.10000E+01 volume  0.11911E-02 ppm1      4.660 ppm2      3.760 CV     1
 ASSI { 2186}
   (( segid " 1SG" and resid 80   and name HG1 ))
   (( segid " 1SG" and resid 106  and name HB  ))
      3.200     3.200     2.800 peak  2186 spectrum    1 weight  0.10000E+01 volume  0.11897E-02 ppm1      2.159 ppm2      1.868 CV     1
 OR { 2186}
   (( segid " 1SG" and resid 80   and name HG2 ))
   (( segid " 1SG" and resid 106  and name HB  ))
 ASSI { 2192}
   (  segid " 1SG" and resid 76   and name HG2%)
   (  segid " 1SG" and resid 83   and name HD% )
      3.100     1.200     1.200 peak  2192 spectrum    1 weight  0.10000E+01 volume  0.11842E-02 ppm1      0.821 ppm2      7.134 CV     1
 ASSI { 2197}
   (( segid " 1SG" and resid 27   and name HD2 ))
   (( segid " 1SG" and resid 9    and name HB2 ))
      2.800     1.000     1.000 peak  2197 spectrum    1 weight  0.10000E+01 volume  0.11816E-02 ppm1      3.125 ppm2      1.911 CV     1
 OR { 2197}
   (( segid " 1SG" and resid 27   and name HD1 ))
   (( segid " 1SG" and resid 9    and name HB2 ))
 ASSI { 2202}
   (  segid " 1SG" and resid 39   and name HG1%)
   (  segid " 1SG" and resid 91   and name HG2%)
      3.600     1.600     1.600 peak  2202 spectrum    1 weight  0.10000E+01 volume  0.11794E-02 ppm1     -0.058 ppm2      0.160 CV     1
 ASSI { 2207}
   (( segid " 1SG" and resid 65   and name HA  ))
   (( segid " 1SG" and resid 68   and name HA  ))
      2.900     1.000     1.000 peak  2207 spectrum    1 weight  0.10000E+01 volume  0.11751E-02 ppm1      3.454 ppm2      3.592 CV     1
 ASSI { 2222}
   (( segid " 1SG" and resid 48   and name HA  ))
   (( segid " 1SG" and resid 48   and name HB2 ))
      3.100     1.200     1.200 peak  2222 spectrum    1 weight  0.10000E+01 volume  0.11637E-02 ppm1      4.212 ppm2      2.933 CV     1
 ASSI { 2227}
   (( segid " 1SG" and resid 104  and name HA  ))
   (( segid " 1SG" and resid 104  and name HG  ))
      3.000     1.100     1.100 peak  2227 spectrum    1 weight  0.10000E+01 volume  0.11601E-02 ppm1      5.435 ppm2      1.354 CV     1
 ASSI { 2232}
   (  segid " 1SG" and resid 22   and name HD1%)
   (( segid " 1SG" and resid 22   and name HA  ))
      2.900     1.100     1.100 peak  2232 spectrum    1 weight  0.10000E+01 volume  0.11564E-02 ppm1      0.551 ppm2      4.359 CV     1
 OR { 2232}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 22   and name HA  ))
 ASSI { 2236}
   (  segid " 1SG" and resid 16   and name HG1%)
   (( segid " 1SG" and resid 22   and name HG12))
      3.400     1.500     1.500 peak  2236 spectrum    1 weight  0.10000E+01 volume  0.11541E-02 ppm1      0.978 ppm2      0.115 CV     1
 ASSI { 2241}
   (( segid " 1SG" and resid 27   and name HD2 ))
   (( segid " 1SG" and resid 9    and name HG2 ))
      3.200     1.200     1.200 peak  2241 spectrum    1 weight  0.10000E+01 volume  0.11525E-02 ppm1      3.123 ppm2      2.513 CV     1
 OR { 2241}
   (( segid " 1SG" and resid 27   and name HD1 ))
   (( segid " 1SG" and resid 9    and name HG2 ))
 ASSI { 2243}
   (( segid " 1SG" and resid 28   and name HB  ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      2.800     1.000     1.000 peak  2243 spectrum    1 weight  0.10000E+01 volume  0.11516E-02 ppm1      1.975 ppm2      2.823 CV     1
 ASSI { 2255}
   (  segid " 1SG" and resid 77   and name HG2%)
   (( segid " 1SG" and resid 75   and name HB1 ))
      2.800     1.000     1.000 peak  2255 spectrum    1 weight  0.10000E+01 volume  0.11465E-02 ppm1      1.046 ppm2      2.909 CV     1
 ASSI { 2258}
   (( segid " 1SG" and resid 6    and name HB2 ))
   (  segid " 1SG" and resid 6    and name HD1%)
      2.900     1.100     1.100 peak  2258 spectrum    1 weight  0.10000E+01 volume  0.11452E-02 ppm1      0.963 ppm2      0.668 CV     1
 ASSI { 2267}
   (( segid " 1SG" and resid 49   and name HA  ))
   (( segid " 1SG" and resid 52   and name HG2 ))
      3.500     1.600     1.600 peak  2267 spectrum    1 weight  0.10000E+01 volume  0.11406E-02 ppm1      3.862 ppm2      1.350 CV     1
 OR { 2267}
   (( segid " 1SG" and resid 49   and name HA  ))
   (( segid " 1SG" and resid 52   and name HG1 ))
 ASSI { 2271}
   (( segid " 1SG" and resid 76   and name HB  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      3.600     1.600     1.600 peak  2271 spectrum    1 weight  0.10000E+01 volume  0.11376E-02 ppm1      1.936 ppm2      1.428 CV     1
 ASSI { 2279}
   (( segid " 1SG" and resid 88   and name HA  ))
   (( segid " 1SG" and resid 99   and name HB2 ))
      3.200     3.200     2.800 peak  2279 spectrum    1 weight  0.10000E+01 volume  0.11311E-02 ppm1      5.350 ppm2      2.743 CV     1
 ASSI { 2289}
   (  segid " 1SG" and resid 28   and name HG2%)
   (( segid " 1SG" and resid 37   and name HB2 ))
      3.300     1.300     1.300 peak  2289 spectrum    1 weight  0.10000E+01 volume  0.11251E-02 ppm1      0.647 ppm2      1.378 CV     1
 OR { 2289}
   (  segid " 1SG" and resid 28   and name HG2%)
   (( segid " 1SG" and resid 37   and name HG2 ))
 ASSI { 2293}
   (( segid " 1SG" and resid 31   and name HA  ))
   (( segid " 1SG" and resid 68   and name HG2 ))
      3.200     1.300     1.300 peak  2293 spectrum    1 weight  0.10000E+01 volume  0.11229E-02 ppm1      4.171 ppm2      1.264 CV     1
 OR { 2293}
   (( segid " 1SG" and resid 31   and name HA  ))
   (( segid " 1SG" and resid 68   and name HG1 ))
 ASSI { 2296}
   (  segid " 1SG" and resid 59   and name HD2%)
   (( segid " 1SG" and resid 41   and name HD1 ))
      3.100     1.200     1.200 peak  2296 spectrum    1 weight  0.10000E+01 volume  0.11204E-02 ppm1      0.713 ppm2      7.136 CV     1
 ASSI { 2297}
   (( segid " 1SG" and resid 33   and name HB2 ))
   (( segid " 1SG" and resid 93   and name HA  ))
      3.300     3.300     2.700 peak  2297 spectrum    1 weight  0.10000E+01 volume  0.11198E-02 ppm1      1.752 ppm2      4.754 CV     1
 ASSI { 2301}
   (( segid " 1SG" and resid 91   and name HB  ))
   (  segid " 1SG" and resid 39   and name HG2%)
      2.900     1.000     1.000 peak  2301 spectrum    1 weight  0.10000E+01 volume  0.11175E-02 ppm1      1.137 ppm2     -0.446 CV     1
 ASSI { 2305}
   (( segid " 1SG" and resid 6    and name HG  ))
   (( segid " 1SG" and resid 96   and name HB2 ))
      3.800     1.800     1.800 peak  2305 spectrum    1 weight  0.10000E+01 volume  0.11149E-02 ppm1      1.340 ppm2      1.586 CV     1
 ASSI { 2310}
   (( segid " 1SG" and resid 70   and name HA  ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      3.200     1.300     1.300 peak  2310 spectrum    1 weight  0.10000E+01 volume  0.11118E-02 ppm1      4.744 ppm2      2.830 CV     1
 ASSI { 2317}
   (( segid " 1SG" and resid 93   and name HB  ))
   (  segid " 1SG" and resid 33   and name HD1%)
      3.300     1.300     1.300 peak  2317 spectrum    1 weight  0.10000E+01 volume  0.11090E-02 ppm1      4.559 ppm2      0.871 CV     1
 OR { 2317}
   (( segid " 1SG" and resid 93   and name HB  ))
   (  segid " 1SG" and resid 33   and name HD2%)
 ASSI { 2322}
   (( segid " 1SG" and resid 52   and name HD1 ))
   (  segid " 1SG" and resid 47   and name HG2%)
      3.300     1.300     1.300 peak  2322 spectrum    1 weight  0.10000E+01 volume  0.11067E-02 ppm1      1.614 ppm2      0.759 CV     1
 OR { 2322}
   (( segid " 1SG" and resid 52   and name HD2 ))
   (  segid " 1SG" and resid 47   and name HG2%)
 ASSI { 2331}
   (  segid " 1SG" and resid 106  and name HG1%)
   (( segid " 1SG" and resid 81   and name HA  ))
      2.800     1.000     1.000 peak  2331 spectrum    1 weight  0.10000E+01 volume  0.11029E-02 ppm1      0.693 ppm2      4.008 CV     1
 ASSI { 2335}
   (( segid " 1SG" and resid 39   and name HA  ))
   (( segid " 1SG" and resid 39   and name HB  ))
      3.000     1.100     1.100 peak  2335 spectrum    1 weight  0.10000E+01 volume  0.10986E-02 ppm1      4.804 ppm2      0.587 CV     1
 ASSI { 2340}
   (( segid " 1SG" and resid 98   and name HA  ))
   (( segid " 1SG" and resid 98   and name HB2 ))
      3.100     1.200     1.200 peak  2340 spectrum    1 weight  0.10000E+01 volume  0.10967E-02 ppm1      4.694 ppm2      2.296 CV     1
 ASSI { 2346}
   (( segid " 1SG" and resid 6    and name HB2 ))
   (  segid " 1SG" and resid 6    and name HD2%)
      2.900     1.000     1.000 peak  2346 spectrum    1 weight  0.10000E+01 volume  0.10929E-02 ppm1      0.963 ppm2      0.486 CV     1
 ASSI { 2362}
   (( segid " 1SG" and resid 7    and name HA  ))
   (( segid " 1SG" and resid 7    and name HB2 ))
      3.000     1.100     1.100 peak  2362 spectrum    1 weight  0.10000E+01 volume  0.10867E-02 ppm1      4.637 ppm2      2.585 CV     1
 ASSI { 2363}
   (( segid " 1SG" and resid 36   and name HA  ))
   (( segid " 1SG" and resid 36   and name HG2 ))
      3.700     1.700     1.700 peak  2363 spectrum    1 weight  0.10000E+01 volume  0.10860E-02 ppm1      4.009 ppm2      1.986 CV     1
 ASSI { 2364}
   (( segid " 1SG" and resid 81   and name HD2 ))
   (( segid " 1SG" and resid 80   and name HB2 ))
      3.000     1.100     1.100 peak  2364 spectrum    1 weight  0.10000E+01 volume  0.10858E-02 ppm1      3.586 ppm2      1.952 CV     1
 OR { 2364}
   (( segid " 1SG" and resid 81   and name HD2 ))
   (( segid " 1SG" and resid 80   and name HB1 ))
 ASSI { 2366}
   (  segid " 1SG" and resid 59   and name HD1%)
   (( segid " 1SG" and resid 59   and name HA  ))
      3.700     1.700     1.700 peak  2366 spectrum    1 weight  0.10000E+01 volume  0.10847E-02 ppm1      0.860 ppm2      5.189 CV     1
 ASSI { 2373}
   (( segid " 1SG" and resid 98   and name HB2 ))
   (( segid " 1SG" and resid 6    and name HB2 ))
      3.100     1.200     1.200 peak  2373 spectrum    1 weight  0.10000E+01 volume  0.10772E-02 ppm1      2.279 ppm2      0.921 CV     1
 ASSI { 2378}
   (( segid " 1SG" and resid 104  and name HA  ))
   (( segid " 1SG" and resid 104  and name HB2 ))
      2.700     0.900     0.900 peak  2378 spectrum    1 weight  0.10000E+01 volume  0.10749E-02 ppm1      5.436 ppm2      1.226 CV     1
 ASSI { 2379}
   (( segid " 1SG" and resid 13   and name HB2 ))
   (( segid " 1SG" and resid 12   and name HB2 ))
      2.600     2.600     3.400 peak  2379 spectrum    1 weight  0.10000E+01 volume  0.10741E-02 ppm1      2.629 ppm2      1.972 CV     1
 ASSI { 2382}
   (  segid " 1SG" and resid 76   and name HD1%)
   (( segid " 1SG" and resid 76   and name HA  ))
      3.600     1.600     1.600 peak  2382 spectrum    1 weight  0.10000E+01 volume  0.10723E-02 ppm1      0.679 ppm2      5.010 CV     1
 ASSI { 2392}
   (( segid " 1SG" and resid 43   and name HA  ))
   (( segid " 1SG" and resid 43   and name HB2 ))
      2.700     0.900     0.900 peak  2392 spectrum    1 weight  0.10000E+01 volume  0.10673E-02 ppm1      4.138 ppm2      1.232 CV     1
 ASSI { 2397}
   (( segid " 1SG" and resid 6    and name HA  ))
   (  segid " 1SG" and resid 29   and name HB% )
      3.000     1.100     1.100 peak  2397 spectrum    1 weight  0.10000E+01 volume  0.10659E-02 ppm1      4.459 ppm2      1.524 CV     1
 ASSI { 2402}
   (( segid " 1SG" and resid 101  and name HA  ))
   (( segid " 1SG" and resid 101  and name HB2 ))
      3.100     1.200     1.200 peak  2402 spectrum    1 weight  0.10000E+01 volume  0.10612E-02 ppm1      5.518 ppm2      2.697 CV     1
 ASSI { 2404}
   (  segid " 1SG" and resid 106  and name HG1%)
   (( segid " 1SG" and resid 83   and name HB2 ))
      3.100     1.200     1.200 peak  2404 spectrum    1 weight  0.10000E+01 volume  0.10606E-02 ppm1      0.689 ppm2      3.185 CV     1
 ASSI { 2405}
   (  segid " 1SG" and resid 26   and name HB% )
   (( segid " 1SG" and resid 72   and name HB2 ))
      3.100     1.200     1.200 peak  2405 spectrum    1 weight  0.10000E+01 volume  0.10600E-02 ppm1      1.468 ppm2      2.900 CV     1
 ASSI { 2415}
   (( segid " 1SG" and resid 43   and name HB2 ))
   (( segid " 1SG" and resid 43   and name HD1 ))
      2.800     1.000     1.000 peak  2415 spectrum    1 weight  0.10000E+01 volume  0.10519E-02 ppm1      1.235 ppm2      1.303 CV     1
 OR { 2415}
   (( segid " 1SG" and resid 43   and name HB2 ))
   (( segid " 1SG" and resid 43   and name HD2 ))
 ASSI { 2422}
   (( segid " 1SG" and resid 77   and name HB  ))
   (( segid " 1SG" and resid 20   and name HA1 ))
      3.700     3.700     2.300 peak  2422 spectrum    1 weight  0.10000E+01 volume  0.10489E-02 ppm1      4.020 ppm2      3.721 CV     1
 ASSI { 2432}
   (( segid " 1SG" and resid 9    and name HB2 ))
   (( segid " 1SG" and resid 27   and name HB1 ))
      3.100     1.200     1.200 peak  2432 spectrum    1 weight  0.10000E+01 volume  0.10428E-02 ppm1      1.915 ppm2      1.587 CV     1
 OR { 2432}
   (( segid " 1SG" and resid 9    and name HB2 ))
   (( segid " 1SG" and resid 27   and name HB2 ))
 ASSI { 2436}
   (( segid " 1SG" and resid 90   and name HA  ))
   (( segid " 1SG" and resid 90   and name HB2 ))
      3.000     1.100     1.100 peak  2436 spectrum    1 weight  0.10000E+01 volume  0.10399E-02 ppm1      4.768 ppm2      2.030 CV     1
 ASSI { 2438}
   (( segid " 1SG" and resid 41   and name HB2 ))
   (  segid " 1SG" and resid 49   and name HD2%)
      3.200     1.300     1.300 peak  2438 spectrum    1 weight  0.10000E+01 volume  0.10389E-02 ppm1      3.149 ppm2      1.032 CV     1
 ASSI { 2444}
   (( segid " 1SG" and resid 39   and name HA  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      3.300     1.400     1.400 peak  2444 spectrum    1 weight  0.10000E+01 volume  0.10333E-02 ppm1      4.810 ppm2      0.189 CV     1
 OR { 2444}
   (( segid " 1SG" and resid 39   and name HA  ))
   (  segid " 1SG" and resid 91   and name HG1%)
 ASSI { 2472}
   (( segid " 1SG" and resid 41   and name HA  ))
   (( segid " 1SG" and resid 41   and name HB2 ))
      3.100     1.200     1.200 peak  2472 spectrum    1 weight  0.10000E+01 volume  0.10171E-02 ppm1      5.478 ppm2      3.157 CV     1
 ASSI { 2478}
   (  segid " 1SG" and resid 49   and name HD2%)
   (( segid " 1SG" and resid 53   and name HN  ))
      3.500     1.500     1.500 peak  2478 spectrum    1 weight  0.10000E+01 volume  0.10103E-02 ppm1      1.042 ppm2      6.757 CV     1
 ASSI { 2484}
   (( segid " 1SG" and resid 103  and name HA  ))
   (( segid " 1SG" and resid 86   and name HA1 ))
      3.800     1.800     1.800 peak  2484 spectrum    1 weight  0.10000E+01 volume  0.10086E-02 ppm1      5.555 ppm2      3.498 CV     1
 ASSI { 2491}
   (( segid " 1SG" and resid 76   and name HA  ))
   (( segid " 1SG" and resid 76   and name HG12))
      2.800     0.900     0.900 peak  2491 spectrum    1 weight  0.10000E+01 volume  0.10050E-02 ppm1      5.014 ppm2      1.107 CV     1
 ASSI { 2498}
   (( segid " 1SG" and resid 69   and name HA  ))
   (( segid " 1SG" and resid 69   and name HB  ))
      3.000     1.100     1.100 peak  2498 spectrum    1 weight  0.10000E+01 volume  0.99874E-03 ppm1      4.599 ppm2      1.771 CV     1
 ASSI { 2500}
   (( segid " 1SG" and resid 3    and name HD2 ))
   (( segid " 1SG" and resid 3    and name HB2 ))
      3.500     1.600     1.600 peak  2500 spectrum    1 weight  0.10000E+01 volume  0.99599E-03 ppm1      3.865 ppm2      2.293 CV     1
 OR { 2500}
   (( segid " 1SG" and resid 3    and name HD1 ))
   (( segid " 1SG" and resid 3    and name HB1 ))
 OR { 2500}
   (( segid " 1SG" and resid 3    and name HD1 ))
   (( segid " 1SG" and resid 3    and name HB2 ))
 OR { 2500}
   (( segid " 1SG" and resid 3    and name HD2 ))
   (( segid " 1SG" and resid 3    and name HB1 ))
 ASSI { 2501}
   (( segid " 1SG" and resid 42   and name HA  ))
   (  segid " 1SG" and resid 49   and name HD1%)
      3.000     1.100     1.100 peak  2501 spectrum    1 weight  0.10000E+01 volume  0.99586E-03 ppm1      5.813 ppm2      1.783 CV     1
 ASSI { 2511}
   (( segid " 1SG" and resid 16   and name HB  ))
   (( segid " 1SG" and resid 22   and name HB  ))
      3.500     1.500     1.500 peak  2511 spectrum    1 weight  0.10000E+01 volume  0.98481E-03 ppm1      1.814 ppm2      1.533 CV     1
 ASSI { 2523}
   (  segid " 1SG" and resid 53   and name HG2%)
   (( segid " 1SG" and resid 43   and name HB2 ))
      3.600     1.600     1.600 peak  2523 spectrum    1 weight  0.10000E+01 volume  0.98042E-03 ppm1      1.111 ppm2      1.209 CV     1
 OR { 2523}
   (  segid " 1SG" and resid 53   and name HG1%)
   (( segid " 1SG" and resid 43   and name HB2 ))
 ASSI { 2528}
   (( segid " 1SG" and resid 6    and name HA  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.800     1.800     1.800 peak  2528 spectrum    1 weight  0.10000E+01 volume  0.97748E-03 ppm1      4.452 ppm2      0.493 CV     1
 ASSI { 2536}
   (( segid " 1SG" and resid 59   and name HG  ))
   (  segid " 1SG" and resid 74   and name HD1%)
      2.900     1.100     1.100 peak  2536 spectrum    1 weight  0.10000E+01 volume  0.97153E-03 ppm1      1.444 ppm2      0.414 CV     1
 OR { 2536}
   (( segid " 1SG" and resid 59   and name HG  ))
   (  segid " 1SG" and resid 74   and name HD2%)
 ASSI { 2549}
   (  segid " 1SG" and resid 39   and name HG2%)
   (( segid " 1SG" and resid 37   and name HB2 ))
      2.900     1.100     1.100 peak  2549 spectrum    1 weight  0.10000E+01 volume  0.96446E-03 ppm1     -0.453 ppm2      1.391 CV     1
 ASSI { 2550}
   (( segid " 1SG" and resid 85   and name HA2 ))
   (( segid " 1SG" and resid 44   and name HA2 ))
      3.100     1.200     1.200 peak  2550 spectrum    1 weight  0.10000E+01 volume  0.96433E-03 ppm1      4.537 ppm2      3.813 CV     1
 ASSI { 2580}
   (  segid " 1SG" and resid 59   and name HD1%)
   (( segid " 1SG" and resid 41   and name HD1 ))
      3.000     1.100     1.100 peak  2580 spectrum    1 weight  0.10000E+01 volume  0.94268E-03 ppm1      0.866 ppm2      7.141 CV     1
 ASSI { 2591}
   (( segid " 1SG" and resid 43   and name HA  ))
   (( segid " 1SG" and resid 43   and name HG2 ))
      3.400     1.400     1.400 peak  2591 spectrum    1 weight  0.10000E+01 volume  0.93509E-03 ppm1      4.134 ppm2      0.081 CV     1
 ASSI { 2595}
   (( segid " 1SG" and resid 108  and name HA  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.700     1.700     1.700 peak  2595 spectrum    1 weight  0.10000E+01 volume  0.93365E-03 ppm1      4.150 ppm2      0.398 CV     1
 ASSI { 2607}
   (  segid " 1SG" and resid 104  and name HD2%)
   (( segid " 1SG" and resid 104  and name HA  ))
      3.800     1.800     1.800 peak  2607 spectrum    1 weight  0.10000E+01 volume  0.92443E-03 ppm1      0.833 ppm2      5.446 CV     1
 ASSI {   29}
   (  segid " 1SG" and resid 97   and name HD% )
   (  segid " 1SG" and resid 97   and name HE% )
      2.100     0.600     0.600 peak    29 spectrum    1 weight  0.10000E+01 volume  0.75408E-02 ppm1      7.085 ppm2      7.264 CV     1
 ASSI {   35}
   (  segid " 1SG" and resid 42   and name HE% )
   (( segid " 1SG" and resid 42   and name HZ  ))
      2.200     0.600     0.600 peak    35 spectrum    1 weight  0.10000E+01 volume  0.64963E-02 ppm1      7.079 ppm2      7.178 CV     1
 ASSI {   46}
   (  segid " 1SG" and resid 70   and name HD% )
   (( segid " 1SG" and resid 70   and name HB2 ))
      2.100     0.600     0.600 peak    46 spectrum    1 weight  0.10000E+01 volume  0.68519E-02 ppm1      7.029 ppm2      2.797 CV     1
 ASSI {   51}
   (  segid " 1SG" and resid 87   and name HD% )
   (  segid " 1SG" and resid 76   and name HD1%)
      2.200     2.200     3.800 peak    51 spectrum    1 weight  0.10000E+01 volume  0.68519E-02 ppm1      6.766 ppm2      0.633 CV     1
 ASSI {   53}
   (  segid " 1SG" and resid 42   and name HD% )
   (  segid " 1SG" and resid 42   and name HE% )
      2.400     0.700     0.700 peak    53 spectrum    1 weight  0.10000E+01 volume  0.33653E-02 ppm1      6.664 ppm2      7.098 CV     1
 ASSI {   62}
   (  segid " 1SG" and resid 87   and name HE% )
   (  segid " 1SG" and resid 104  and name HD1%)
      2.600     2.600     3.400 peak    62 spectrum    1 weight  0.10000E+01 volume  0.68519E-02 ppm1      6.552 ppm2      0.945 CV     1
 ASSI {   63}
   (  segid " 1SG" and resid 87   and name HE% )
   (( segid " 1SG" and resid 57   and name HG  ))
      2.100     2.100     3.900 peak    63 spectrum    1 weight  0.10000E+01 volume  0.68519E-02 ppm1      6.553 ppm2      0.751 CV     1
 ASSI {   66}
   (  segid " 1SG" and resid 83   and name HE% )
   (( segid " 1SG" and resid 46   and name HZ2 ))
      2.200     2.200     3.800 peak    66 spectrum    1 weight  0.10000E+01 volume  0.24784E-02 ppm1      7.259 ppm2      7.400 CV     1
 ASSI {   77}
   (  segid " 1SG" and resid 63   and name HE% )
   (  segid " 1SG" and resid 63   and name HD% )
      2.700     0.900     0.900 peak    77 spectrum    1 weight  0.10000E+01 volume  0.19105E-02 ppm1      6.071 ppm2      5.874 CV     1
 ASSI {   87}
   (( segid " 1SG" and resid 46   and name HH2 ))
   (( segid " 1SG" and resid 46   and name HZ2 ))
      2.800     1.000     1.000 peak    87 spectrum    1 weight  0.10000E+01 volume  0.16140E-02 ppm1      7.111 ppm2      7.374 CV     1
 ASSI {   97}
   (  segid " 1SG" and resid 70   and name HE% )
   (  segid " 1SG" and resid 70   and name HD% )
      2.800     1.000     1.000 peak    97 spectrum    1 weight  0.10000E+01 volume  0.13659E-02 ppm1      6.595 ppm2      7.034 CV     1
 ASSI {  102}
   (  segid " 1SG" and resid 87   and name HE% )
   (  segid " 1SG" and resid 102  and name HD% )
      3.000     3.000     3.000 peak   102 spectrum    1 weight  0.10000E+01 volume  0.13190E-02 ppm1      6.552 ppm2      6.764 CV     1
 ASSI {  104}
   (( segid " 1SG" and resid 46   and name HD1 ))
   (( segid " 1SG" and resid 46   and name HB2 ))
      2.300     0.700     0.700 peak   104 spectrum    1 weight  0.10000E+01 volume  0.68519E-02 ppm1      7.109 ppm2      3.051 CV     1
 ASSI {  109}
   (  segid " 1SG" and resid 87   and name HD% )
   (  segid " 1SG" and resid 87   and name HE% )
      2.600     0.900     0.900 peak   109 spectrum    1 weight  0.10000E+01 volume  0.12221E-02 ppm1      6.767 ppm2      6.573 CV     1
 ASSI {  120}
   (  segid " 1SG" and resid 102  and name HD% )
   (  segid " 1SG" and resid 102  and name HE% )
      2.100     0.500     0.500 peak   120 spectrum    1 weight  0.10000E+01 volume  0.68519E-02 ppm1      6.778 ppm2      7.092 CV     1
 ASSI {  125}
   (( segid " 1SG" and resid 56   and name HE1 ))
   (( segid " 1SG" and resid 57   and name HG  ))
      3.300     1.400     1.400 peak   125 spectrum    1 weight  0.10000E+01 volume  0.10354E-02 ppm1      7.630 ppm2      0.738 CV     1
 ASSI {  168}
   (  segid " 1SG" and resid 83   and name HD% )
   (( segid " 1SG" and resid 80   and name HN  ))
      2.100     0.500     0.500 peak   168 spectrum    1 weight  0.10000E+01 volume  0.68519E-02 ppm1      7.090 ppm2      5.565 CV     1
 ASSI {  180}
   (( segid " 1SG" and resid 75   and name HE1 ))
   (( segid " 1SG" and resid 75   and name HB1 ))
      2.500     2.500     3.500 peak   180 spectrum    1 weight  0.10000E+01 volume  0.67335E-02 ppm1      8.255 ppm2      2.876 CV     1
 OR {  180}
   (( segid " 1SG" and resid 75   and name HE1 ))
   (( segid " 1SG" and resid 75   and name HB2 ))
 ASSI {  185}
   (  segid " 1SG" and resid 70   and name HE% )
   (( segid " 1SG" and resid 28   and name HB  ))
      1.900     1.900     4.100 peak   185 spectrum    1 weight  0.10000E+01 volume  0.67335E-02 ppm1      6.589 ppm2      1.945 CV     1
 ASSI {  187}
   (  segid " 1SG" and resid 24   and name HD% )
   (  segid " 1SG" and resid 24   and name HE% )
      2.100     0.500     0.500 peak   187 spectrum    1 weight  0.10000E+01 volume  0.67335E-02 ppm1      6.951 ppm2      7.189 CV     1
 ASSI {  190}
   (  segid " 1SG" and resid 83   and name HD% )
   (  segid " 1SG" and resid 83   and name HE% )
      2.100     0.500     0.500 peak   190 spectrum    1 weight  0.10000E+01 volume  0.67616E-02 ppm1      7.090 ppm2      7.269 CV     1
 ASSI {  192}
   (  segid " 1SG" and resid 63   and name HE% )
   (( segid " 1SG" and resid 65   and name HG1 ))
      2.100     0.600     0.600 peak   192 spectrum    1 weight  0.10000E+01 volume  0.67610E-02 ppm1      6.071 ppm2      1.670 CV     1
 OR {  192}
   (  segid " 1SG" and resid 63   and name HE% )
   (( segid " 1SG" and resid 65   and name HG2 ))
 ASSI {  195}
   (( segid " 1SG" and resid 41   and name HZ2 ))
   (( segid " 1SG" and resid 41   and name HH2 ))
      2.100     0.500     0.500 peak   195 spectrum    1 weight  0.10000E+01 volume  0.67610E-02 ppm1      7.080 ppm2      6.606 CV     1
 ASSI {    7}
   (( segid " 1SG" and resid 12   and name HE22))
   (( segid " 1SG" and resid 12   and name HE21))
      1.400     0.300     0.800 peak     7 spectrum    1 weight  0.10000E+01 volume  0.68826E-01 ppm1      6.922 ppm2      7.453 CV     1
 ASSI {   15}
   (( segid " 1SG" and resid 103  and name HD21))
   (( segid " 1SG" and resid 103  and name HD22))
      1.600     0.300     0.600 peak    15 spectrum    1 weight  0.10000E+01 volume  0.33721E-01 ppm1      7.722 ppm2      6.746 CV     1
 ASSI {   22}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 58   and name HE22))
      1.600     0.300     0.600 peak    22 spectrum    1 weight  0.10000E+01 volume  0.26571E-01 ppm1      7.438 ppm2      6.684 CV     1
 ASSI {   38}
   (( segid " 1SG" and resid 80   and name HE21))
   (( segid " 1SG" and resid 80   and name HE22))
      1.700     0.300     0.500 peak    38 spectrum    1 weight  0.10000E+01 volume  0.19925E-01 ppm1      6.985 ppm2      6.648 CV     1
 ASSI {   41}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 107  and name HA  ))
      2.000     0.500     0.500 peak    41 spectrum    1 weight  0.10000E+01 volume  0.19193E-01 ppm1      8.564 ppm2      4.843 CV     1
 ASSI {   51}
   (( segid " 1SG" and resid 66   and name HN  ))
   (  segid " 1SG" and resid 66   and name HB% )
      2.200     0.600     0.600 peak    51 spectrum    1 weight  0.10000E+01 volume  0.17163E-01 ppm1      8.106 ppm2      1.408 CV     1
 ASSI {   59}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 46   and name HD1 ))
      2.200     0.600     0.600 peak    59 spectrum    1 weight  0.10000E+01 volume  0.15011E-01 ppm1     10.116 ppm2      7.133 CV     1
 ASSI {   60}
   (( segid " 1SG" and resid 61   and name HN  ))
   (( segid " 1SG" and resid 60   and name HA  ))
      2.200     0.600     0.600 peak    60 spectrum    1 weight  0.10000E+01 volume  0.14744E-01 ppm1      8.180 ppm2      5.068 CV     1
 ASSI {   62}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 38   and name HA  ))
      2.000     0.500     0.500 peak    62 spectrum    1 weight  0.10000E+01 volume  0.14556E-01 ppm1      7.892 ppm2      3.893 CV     1
 ASSI {   64}
   (( segid " 1SG" and resid 17   and name HN  ))
   (( segid " 1SG" and resid 16   and name HA  ))
      2.200     0.600     0.600 peak    64 spectrum    1 weight  0.10000E+01 volume  0.14229E-01 ppm1      7.900 ppm2      4.580 CV     1
 ASSI {   67}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (( segid " 1SG" and resid 41   and name HD1 ))
      2.100     0.600     0.600 peak    67 spectrum    1 weight  0.10000E+01 volume  0.13677E-01 ppm1     10.780 ppm2      7.129 CV     1
 ASSI {   72}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 12   and name HA  ))
      2.200     0.600     0.600 peak    72 spectrum    1 weight  0.10000E+01 volume  0.12498E-01 ppm1      8.312 ppm2      4.679 CV     1
 ASSI {   80}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 95   and name HA  ))
      2.100     2.100     3.900 peak    80 spectrum    1 weight  0.10000E+01 volume  0.11750E-01 ppm1      7.969 ppm2      4.735 CV     1
 ASSI {   81}
   (( segid " 1SG" and resid 53   and name HN  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      1.900     0.500     0.500 peak    81 spectrum    1 weight  0.10000E+01 volume  0.11568E-01 ppm1      6.764 ppm2      1.067 CV     1
 ASSI {   84}
   (( segid " 1SG" and resid 21   and name HN  ))
   (( segid " 1SG" and resid 20   and name HA1 ))
      2.100     0.500     0.500 peak    84 spectrum    1 weight  0.10000E+01 volume  0.10848E-01 ppm1      8.170 ppm2      3.727 CV     1
 ASSI {   85}
   (( segid " 1SG" and resid 79   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      2.200     0.600     0.600 peak    85 spectrum    1 weight  0.10000E+01 volume  0.10804E-01 ppm1      8.974 ppm2      1.174 CV     1
 ASSI {   88}
   (( segid " 1SG" and resid 18   and name HN  ))
   (( segid " 1SG" and resid 17   and name HA  ))
      2.200     0.600     0.600 peak    88 spectrum    1 weight  0.10000E+01 volume  0.10625E-01 ppm1      8.005 ppm2      4.728 CV     1
 ASSI {   95}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 53   and name HA  ))
      2.100     0.600     0.600 peak    95 spectrum    1 weight  0.10000E+01 volume  0.98738E-02 ppm1      9.019 ppm2      4.049 CV     1
 ASSI {  102}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 93   and name HA  ))
      2.700     2.700     3.300 peak   102 spectrum    1 weight  0.10000E+01 volume  0.96478E-02 ppm1      7.511 ppm2      4.762 CV     1
 ASSI {  111}
   (( segid " 1SG" and resid 93   and name HN  ))
   (( segid " 1SG" and resid 92   and name HA  ))
      2.200     0.600     0.600 peak   111 spectrum    1 weight  0.10000E+01 volume  0.91311E-02 ppm1      8.557 ppm2      5.243 CV     1
 ASSI {  112}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 58   and name HA  ))
      2.100     0.600     0.600 peak   112 spectrum    1 weight  0.10000E+01 volume  0.90731E-02 ppm1      8.381 ppm2      4.632 CV     1
 ASSI {  114}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 64   and name HA  ))
      2.200     0.600     0.600 peak   114 spectrum    1 weight  0.10000E+01 volume  0.88389E-02 ppm1      8.306 ppm2      4.576 CV     1
 ASSI {  116}
   (( segid " 1SG" and resid 48   and name HN  ))
   (( segid " 1SG" and resid 47   and name HA  ))
      2.300     0.600     0.600 peak   116 spectrum    1 weight  0.10000E+01 volume  0.86933E-02 ppm1      8.397 ppm2      4.057 CV     1
 ASSI {  117}
   (( segid " 1SG" and resid 21   and name HN  ))
   (( segid " 1SG" and resid 20   and name HA2 ))
      3.000     1.100     1.100 peak   117 spectrum    1 weight  0.10000E+01 volume  0.86918E-02 ppm1      8.169 ppm2      4.378 CV     1
 ASSI {  120}
   (( segid " 1SG" and resid 23   and name HN  ))
   (( segid " 1SG" and resid 22   and name HA  ))
      2.100     0.600     0.600 peak   120 spectrum    1 weight  0.10000E+01 volume  0.86230E-02 ppm1      7.914 ppm2      4.342 CV     1
 ASSI {  122}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 59   and name HA  ))
      2.200     0.600     0.600 peak   122 spectrum    1 weight  0.10000E+01 volume  0.85747E-02 ppm1      8.687 ppm2      5.184 CV     1
 ASSI {  123}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 21   and name HA  ))
      2.100     0.600     0.600 peak   123 spectrum    1 weight  0.10000E+01 volume  0.85105E-02 ppm1      8.888 ppm2      5.491 CV     1
 ASSI {  125}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 57   and name HA  ))
      2.000     0.500     0.500 peak   125 spectrum    1 weight  0.10000E+01 volume  0.84566E-02 ppm1      8.940 ppm2      5.399 CV     1
 ASSI {  126}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 61   and name HA  ))
      2.000     0.500     0.500 peak   126 spectrum    1 weight  0.10000E+01 volume  0.84342E-02 ppm1      8.849 ppm2      5.560 CV     1
 ASSI {  128}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 53   and name HB  ))
      2.300     0.700     0.700 peak   128 spectrum    1 weight  0.10000E+01 volume  0.83527E-02 ppm1      6.764 ppm2      2.128 CV     1
 ASSI {  130}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 4    and name HB  ))
      2.100     0.500     0.500 peak   130 spectrum    1 weight  0.10000E+01 volume  0.82458E-02 ppm1      8.264 ppm2      2.024 CV     1
 ASSI {  133}
   (( segid " 1SG" and resid 77   and name HN  ))
   (( segid " 1SG" and resid 76   and name HA  ))
      2.100     0.600     0.600 peak   133 spectrum    1 weight  0.10000E+01 volume  0.80916E-02 ppm1      8.717 ppm2      4.983 CV     1
 ASSI {  135}
   (( segid " 1SG" and resid 85   and name HN  ))
   (( segid " 1SG" and resid 84   and name HA  ))
      2.200     0.600     0.600 peak   135 spectrum    1 weight  0.10000E+01 volume  0.80391E-02 ppm1      9.407 ppm2      4.227 CV     1
 OR {  135}
   (( segid " 1SG" and resid 85   and name HN  ))
   (( segid " 1SG" and resid 84   and name HB  ))
 ASSI {  137}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 66   and name HA  ))
      2.500     0.800     0.800 peak   137 spectrum    1 weight  0.10000E+01 volume  0.80188E-02 ppm1      8.106 ppm2      4.123 CV     1
 ASSI {  140}
   (( segid " 1SG" and resid 29   and name HN  ))
   (  segid " 1SG" and resid 29   and name HB% )
      2.300     0.700     0.700 peak   140 spectrum    1 weight  0.10000E+01 volume  0.77785E-02 ppm1      8.854 ppm2      1.508 CV     1
 ASSI {  142}
   (( segid " 1SG" and resid 47   and name HN  ))
   (  segid " 1SG" and resid 47   and name HG1%)
      2.800     1.000     1.000 peak   142 spectrum    1 weight  0.10000E+01 volume  0.77475E-02 ppm1      7.291 ppm2      0.977 CV     1
 ASSI {  145}
   (( segid " 1SG" and resid 18   and name HN  ))
   (  segid " 1SG" and resid 18   and name HG2%)
      2.300     0.700     0.700 peak   145 spectrum    1 weight  0.10000E+01 volume  0.76782E-02 ppm1      8.005 ppm2      0.939 CV     1
 ASSI {  147}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 96   and name HA  ))
      2.200     0.600     0.600 peak   147 spectrum    1 weight  0.10000E+01 volume  0.76375E-02 ppm1      8.065 ppm2      4.772 CV     1
 ASSI {  148}
   (( segid " 1SG" and resid 12   and name HE21))
   (( segid " 1SG" and resid 12   and name HG2 ))
      2.400     0.700     0.700 peak   148 spectrum    1 weight  0.10000E+01 volume  0.76090E-02 ppm1      7.451 ppm2      2.471 CV     1
 OR {  148}
   (( segid " 1SG" and resid 12   and name HE21))
   (( segid " 1SG" and resid 12   and name HG1 ))
 ASSI {  150}
   (( segid " 1SG" and resid 101  and name HD22))
   (( segid " 1SG" and resid 12   and name HE21))
      2.000     2.000     4.000 peak   150 spectrum    1 weight  0.10000E+01 volume  0.75637E-02 ppm1      6.723 ppm2      7.459 CV     1
 ASSI {  155}
   (( segid " 1SG" and resid 19   and name HN  ))
   (( segid " 1SG" and resid 18   and name HA  ))
      2.100     0.500     0.500 peak   155 spectrum    1 weight  0.10000E+01 volume  0.73728E-02 ppm1      9.827 ppm2      3.479 CV     1
 ASSI {  156}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 14   and name HA2 ))
      2.300     0.600     0.600 peak   156 spectrum    1 weight  0.10000E+01 volume  0.73290E-02 ppm1      8.504 ppm2      4.931 CV     1
 ASSI {  159}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 78   and name HA  ))
      2.400     0.700     0.700 peak   159 spectrum    1 weight  0.10000E+01 volume  0.72150E-02 ppm1      8.974 ppm2      4.103 CV     1
 ASSI {  160}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 39   and name HA  ))
      2.100     0.500     0.500 peak   160 spectrum    1 weight  0.10000E+01 volume  0.70439E-02 ppm1      8.694 ppm2      4.799 CV     1
 ASSI {  161}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 37   and name HA  ))
      2.100     0.600     0.600 peak   161 spectrum    1 weight  0.10000E+01 volume  0.69961E-02 ppm1      8.374 ppm2      4.490 CV     1
 ASSI {  164}
   (( segid " 1SG" and resid 29   and name HN  ))
   (( segid " 1SG" and resid 28   and name HA  ))
      2.200     0.600     0.600 peak   164 spectrum    1 weight  0.10000E+01 volume  0.69258E-02 ppm1      8.854 ppm2      4.898 CV     1
 ASSI {  166}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 1    and name HA  ))
      2.100     0.500     0.500 peak   166 spectrum    1 weight  0.10000E+01 volume  0.68184E-02 ppm1      8.116 ppm2      4.614 CV     1
 ASSI {  167}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 24   and name HA  ))
      2.400     0.700     0.700 peak   167 spectrum    1 weight  0.10000E+01 volume  0.67655E-02 ppm1      8.399 ppm2      4.620 CV     1
 ASSI {  169}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 40   and name HA  ))
      2.200     0.600     0.600 peak   169 spectrum    1 weight  0.10000E+01 volume  0.67421E-02 ppm1      9.308 ppm2      4.547 CV     1
 ASSI {  170}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 107  and name HB2 ))
      3.200     1.300     1.300 peak   170 spectrum    1 weight  0.10000E+01 volume  0.66962E-02 ppm1      8.564 ppm2      3.074 CV     1
 OR {  170}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 107  and name HB1 ))
 ASSI {  175}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 23   and name HA  ))
      2.300     0.700     0.700 peak   175 spectrum    1 weight  0.10000E+01 volume  0.65639E-02 ppm1      9.240 ppm2      5.100 CV     1
 ASSI {  176}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 91   and name HA  ))
      2.200     0.600     0.600 peak   176 spectrum    1 weight  0.10000E+01 volume  0.65170E-02 ppm1      8.734 ppm2      4.747 CV     1
 ASSI {  177}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 78   and name HA  ))
      2.300     0.700     0.700 peak   177 spectrum    1 weight  0.10000E+01 volume  0.64051E-02 ppm1      8.053 ppm2      4.102 CV     1
 ASSI {  179}
   (( segid " 1SG" and resid 67   and name HN  ))
   (  segid " 1SG" and resid 66   and name HB% )
      2.600     0.900     0.900 peak   179 spectrum    1 weight  0.10000E+01 volume  0.63959E-02 ppm1      7.421 ppm2      1.408 CV     1
 ASSI {  180}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 3    and name HA  ))
      2.300     0.700     0.700 peak   180 spectrum    1 weight  0.10000E+01 volume  0.63368E-02 ppm1      8.264 ppm2      4.443 CV     1
 ASSI {  181}
   (( segid " 1SG" and resid 101  and name HD21))
   (( segid " 1SG" and resid 101  and name HD22))
      2.100     0.500     0.500 peak   181 spectrum    1 weight  0.10000E+01 volume  0.63190E-02 ppm1      7.438 ppm2      6.719 CV     1
 ASSI {  184}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 108  and name HA  ))
      2.500     0.800     0.800 peak   184 spectrum    1 weight  0.10000E+01 volume  0.61856E-02 ppm1      8.564 ppm2      4.141 CV     1
 ASSI {  186}
   (( segid " 1SG" and resid 30   and name HN  ))
   (( segid " 1SG" and resid 29   and name HA  ))
      2.200     0.600     0.600 peak   186 spectrum    1 weight  0.10000E+01 volume  0.61296E-02 ppm1      8.591 ppm2      4.384 CV     1
 ASSI {  189}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 77   and name HA  ))
      2.200     0.600     0.600 peak   189 spectrum    1 weight  0.10000E+01 volume  0.60059E-02 ppm1      8.053 ppm2      4.655 CV     1
 ASSI {  191}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 20   and name HA1 ))
      2.400     0.700     0.700 peak   191 spectrum    1 weight  0.10000E+01 volume  0.59118E-02 ppm1      8.825 ppm2      3.727 CV     1
 ASSI {  192}
   (( segid " 1SG" and resid 68   and name HN  ))
   (( segid " 1SG" and resid 68   and name HA  ))
      2.300     0.700     0.700 peak   192 spectrum    1 weight  0.10000E+01 volume  0.58828E-02 ppm1      7.877 ppm2      3.593 CV     1
 ASSI {  193}
   (( segid " 1SG" and resid 17   and name HN  ))
   (( segid " 1SG" and resid 17   and name HB  ))
      2.600     0.800     0.800 peak   193 spectrum    1 weight  0.10000E+01 volume  0.58665E-02 ppm1      7.899 ppm2      4.062 CV     1
 ASSI {  194}
   (( segid " 1SG" and resid 69   and name HN  ))
   (  segid " 1SG" and resid 69   and name HG2%)
      2.600     0.900     0.900 peak   194 spectrum    1 weight  0.10000E+01 volume  0.58583E-02 ppm1      6.899 ppm2      0.850 CV     1
 OR {  194}
   (( segid " 1SG" and resid 69   and name HN  ))
   (  segid " 1SG" and resid 69   and name HG1%)
 ASSI {  197}
   (( segid " 1SG" and resid 39   and name HN  ))
   (  segid " 1SG" and resid 38   and name HG2%)
      3.500     1.500     1.500 peak   197 spectrum    1 weight  0.10000E+01 volume  0.57972E-02 ppm1      7.892 ppm2      0.789 CV     1
 ASSI {  198}
   (( segid " 1SG" and resid 63   and name HN  ))
   (( segid " 1SG" and resid 62   and name HA  ))
      2.500     0.800     0.800 peak   198 spectrum    1 weight  0.10000E+01 volume  0.57509E-02 ppm1      8.517 ppm2      4.602 CV     1
 ASSI {  199}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 13   and name HA  ))
      2.900     1.000     1.000 peak   199 spectrum    1 weight  0.10000E+01 volume  0.57310E-02 ppm1      9.183 ppm2      5.338 CV     1
 ASSI {  200}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 72   and name HA  ))
      2.200     0.600     0.600 peak   200 spectrum    1 weight  0.10000E+01 volume  0.57031E-02 ppm1      9.450 ppm2      5.366 CV     1
 ASSI {  201}
   (( segid " 1SG" and resid 12   and name HN  ))
   (( segid " 1SG" and resid 11   and name HA  ))
      2.500     0.800     0.800 peak   201 spectrum    1 weight  0.10000E+01 volume  0.56980E-02 ppm1      8.345 ppm2      4.804 CV     1
 ASSI {  202}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 46   and name HZ2 ))
      2.700     0.900     0.900 peak   202 spectrum    1 weight  0.10000E+01 volume  0.56934E-02 ppm1     10.116 ppm2      7.380 CV     1
 ASSI {  203}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 52   and name HN  ))
      2.300     0.600     0.600 peak   203 spectrum    1 weight  0.10000E+01 volume  0.56664E-02 ppm1      6.764 ppm2      7.787 CV     1
 ASSI {  204}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 20   and name HA2 ))
      2.800     1.000     1.000 peak   204 spectrum    1 weight  0.10000E+01 volume  0.56440E-02 ppm1      8.825 ppm2      4.373 CV     1
 ASSI {  206}
   (( segid " 1SG" and resid 26   and name HN  ))
   (( segid " 1SG" and resid 25   and name HA  ))
      2.300     0.700     0.700 peak   206 spectrum    1 weight  0.10000E+01 volume  0.55371E-02 ppm1      9.497 ppm2      5.685 CV     1
 ASSI {  208}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 105  and name HA  ))
      2.300     0.700     0.700 peak   208 spectrum    1 weight  0.10000E+01 volume  0.55147E-02 ppm1      8.151 ppm2      4.533 CV     1
 ASSI {  211}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 14   and name HA1 ))
      3.000     1.100     1.100 peak   211 spectrum    1 weight  0.10000E+01 volume  0.54826E-02 ppm1      8.504 ppm2      3.743 CV     1
 ASSI {  212}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HB2 ))
      2.500     0.800     0.800 peak   212 spectrum    1 weight  0.10000E+01 volume  0.54775E-02 ppm1      8.305 ppm2      1.753 CV     1
 OR {  212}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HB1 ))
 ASSI {  216}
   (( segid " 1SG" and resid 12   and name HE22))
   (( segid " 1SG" and resid 12   and name HG2 ))
      3.200     1.300     1.300 peak   216 spectrum    1 weight  0.10000E+01 volume  0.54307E-02 ppm1      6.922 ppm2      2.472 CV     1
 OR {  216}
   (( segid " 1SG" and resid 12   and name HE22))
   (( segid " 1SG" and resid 12   and name HG1 ))
 ASSI {  217}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 76   and name HG12))
      3.300     3.300     2.700 peak   217 spectrum    1 weight  0.10000E+01 volume  0.54114E-02 ppm1      9.019 ppm2      1.097 CV     1
 ASSI {  218}
   (( segid " 1SG" and resid 16   and name HN  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      2.500     0.800     0.800 peak   218 spectrum    1 weight  0.10000E+01 volume  0.54037E-02 ppm1      8.593 ppm2      0.602 CV     1
 ASSI {  219}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 67   and name HN  ))
      2.400     0.700     0.700 peak   219 spectrum    1 weight  0.10000E+01 volume  0.53864E-02 ppm1      8.106 ppm2      7.421 CV     1
 ASSI {  220}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 2    and name HB2 ))
      2.200     0.600     0.600 peak   220 spectrum    1 weight  0.10000E+01 volume  0.53263E-02 ppm1      8.116 ppm2      2.658 CV     1
 ASSI {  221}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 39   and name HB  ))
      2.600     0.800     0.800 peak   221 spectrum    1 weight  0.10000E+01 volume  0.52393E-02 ppm1      7.890 ppm2      0.582 CV     1
 ASSI {  222}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 35   and name HA  ))
      2.500     0.800     0.800 peak   222 spectrum    1 weight  0.10000E+01 volume  0.51996E-02 ppm1      7.511 ppm2      4.664 CV     1
 ASSI {  223}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 74   and name HA  ))
      2.300     0.700     0.700 peak   223 spectrum    1 weight  0.10000E+01 volume  0.51920E-02 ppm1      9.151 ppm2      4.330 CV     1
 ASSI {  228}
   (( segid " 1SG" and resid 15   and name HN  ))
   (  segid " 1SG" and resid 22   and name HD1%)
      2.900     1.100     1.100 peak   228 spectrum    1 weight  0.10000E+01 volume  0.50464E-02 ppm1      8.505 ppm2      0.527 CV     1
 ASSI {  229}
   (( segid " 1SG" and resid 85   and name HN  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      3.200     1.200     1.200 peak   229 spectrum    1 weight  0.10000E+01 volume  0.50312E-02 ppm1      9.407 ppm2      1.494 CV     1
 ASSI {  231}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 68   and name HN  ))
      2.200     0.600     0.600 peak   231 spectrum    1 weight  0.10000E+01 volume  0.49758E-02 ppm1      7.422 ppm2      7.877 CV     1
 ASSI {  235}
   (( segid " 1SG" and resid 18   and name HN  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      2.600     0.900     0.900 peak   235 spectrum    1 weight  0.10000E+01 volume  0.49007E-02 ppm1      8.004 ppm2      1.281 CV     1
 ASSI {  236}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 108  and name HG1 ))
      3.500     1.500     1.500 peak   236 spectrum    1 weight  0.10000E+01 volume  0.48919E-02 ppm1      8.564 ppm2      2.233 CV     1
 OR {  236}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 108  and name HG2 ))
 ASSI {  240}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 26   and name HA  ))
      2.500     0.800     0.800 peak   240 spectrum    1 weight  0.10000E+01 volume  0.47773E-02 ppm1      8.891 ppm2      4.916 CV     1
 ASSI {  243}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 47   and name HB  ))
      2.800     1.000     1.000 peak   243 spectrum    1 weight  0.10000E+01 volume  0.47217E-02 ppm1      7.291 ppm2      2.508 CV     1
 ASSI {  244}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 13   and name HB2 ))
      2.700     0.900     0.900 peak   244 spectrum    1 weight  0.10000E+01 volume  0.47144E-02 ppm1      8.312 ppm2      2.683 CV     1
 ASSI {  245}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      2.900     1.100     1.100 peak   245 spectrum    1 weight  0.10000E+01 volume  0.46858E-02 ppm1      7.198 ppm2      1.453 CV     1
 ASSI {  246}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 103  and name HA  ))
      2.300     0.700     0.700 peak   246 spectrum    1 weight  0.10000E+01 volume  0.46850E-02 ppm1      8.793 ppm2      5.542 CV     1
 ASSI {  247}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 98   and name HA  ))
      2.700     0.900     0.900 peak   247 spectrum    1 weight  0.10000E+01 volume  0.46838E-02 ppm1      9.228 ppm2      4.702 CV     1
 ASSI {  248}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 38   and name HB  ))
      2.700     0.900     0.900 peak   248 spectrum    1 weight  0.10000E+01 volume  0.46761E-02 ppm1      8.373 ppm2      1.890 CV     1
 ASSI {  250}
   (( segid " 1SG" and resid 70   and name HN  ))
   (( segid " 1SG" and resid 69   and name HA  ))
      2.400     0.700     0.700 peak   250 spectrum    1 weight  0.10000E+01 volume  0.45909E-02 ppm1      9.273 ppm2      4.579 CV     1
 ASSI {  251}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 84   and name HN  ))
      2.400     0.700     0.700 peak   251 spectrum    1 weight  0.10000E+01 volume  0.45831E-02 ppm1      8.255 ppm2      7.866 CV     1
 ASSI {  253}
   (( segid " 1SG" and resid 10   and name HN  ))
   (( segid " 1SG" and resid 9    and name HA  ))
      2.600     0.900     0.900 peak   253 spectrum    1 weight  0.10000E+01 volume  0.45313E-02 ppm1      8.853 ppm2      4.646 CV     1
 ASSI {  256}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 102  and name HA  ))
      2.500     0.800     0.800 peak   256 spectrum    1 weight  0.10000E+01 volume  0.44987E-02 ppm1      9.243 ppm2      4.989 CV     1
 ASSI {  259}
   (( segid " 1SG" and resid 23   and name HN  ))
   (( segid " 1SG" and resid 23   and name HB  ))
      2.600     0.800     0.800 peak   259 spectrum    1 weight  0.10000E+01 volume  0.44005E-02 ppm1      7.914 ppm2      3.583 CV     1
 ASSI {  265}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 35   and name HG1 ))
      2.400     0.700     0.700 peak   265 spectrum    1 weight  0.10000E+01 volume  0.42614E-02 ppm1      7.511 ppm2      1.348 CV     1
 OR {  265}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 35   and name HG2 ))
 ASSI {  266}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 79   and name HA  ))
      2.700     0.900     0.900 peak   266 spectrum    1 weight  0.10000E+01 volume  0.42104E-02 ppm1      8.973 ppm2      3.661 CV     1
 ASSI {  267}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HG2 ))
      3.200     1.300     1.300 peak   267 spectrum    1 weight  0.10000E+01 volume  0.41965E-02 ppm1      8.306 ppm2      1.685 CV     1
 OR {  267}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HG1 ))
 ASSI {  268}
   (( segid " 1SG" and resid 72   and name HN  ))
   (( segid " 1SG" and resid 71   and name HA  ))
      2.200     0.600     0.600 peak   268 spectrum    1 weight  0.10000E+01 volume  0.41807E-02 ppm1      9.295 ppm2      5.062 CV     1
 ASSI {  269}
   (( segid " 1SG" and resid 17   and name HN  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      3.200     1.300     1.300 peak   269 spectrum    1 weight  0.10000E+01 volume  0.41737E-02 ppm1      7.900 ppm2      1.280 CV     1
 ASSI {  270}
   (( segid " 1SG" and resid 29   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG2%)
      2.600     0.800     0.800 peak   270 spectrum    1 weight  0.10000E+01 volume  0.41602E-02 ppm1      8.855 ppm2      0.945 CV     1
 OR {  270}
   (( segid " 1SG" and resid 29   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG1%)
 ASSI {  271}
   (( segid " 1SG" and resid 94   and name HN  ))
   (( segid " 1SG" and resid 93   and name HA  ))
      2.500     0.800     0.800 peak   271 spectrum    1 weight  0.10000E+01 volume  0.41553E-02 ppm1      8.339 ppm2      4.764 CV     1
 ASSI {  272}
   (( segid " 1SG" and resid 93   and name HN  ))
   (( segid " 1SG" and resid 92   and name HB2 ))
      3.500     1.600     1.600 peak   272 spectrum    1 weight  0.10000E+01 volume  0.41416E-02 ppm1      8.558 ppm2      3.937 CV     1
 OR {  272}
   (( segid " 1SG" and resid 93   and name HN  ))
   (( segid " 1SG" and resid 92   and name HB1 ))
 ASSI {  273}
   (( segid " 1SG" and resid 77   and name HN  ))
   (  segid " 1SG" and resid 76   and name HG2%)
      3.000     1.100     1.100 peak   273 spectrum    1 weight  0.10000E+01 volume  0.40542E-02 ppm1      8.717 ppm2      0.785 CV     1
 ASSI {  274}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 95   and name HN  ))
      1.700     0.400     0.500 peak   274 spectrum    1 weight  0.10000E+01 volume  0.40361E-02 ppm1      7.549 ppm2      7.973 CV     1
 ASSI {  275}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB2 ))
      2.400     0.700     0.700 peak   275 spectrum    1 weight  0.10000E+01 volume  0.40223E-02 ppm1      8.381 ppm2      1.692 CV     1
 OR {  275}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB1 ))
 ASSI {  276}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 96   and name HB2 ))
      3.500     1.600     1.600 peak   276 spectrum    1 weight  0.10000E+01 volume  0.39956E-02 ppm1      8.263 ppm2      1.571 CV     1
 ASSI {  278}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 5    and name HN  ))
      2.400     0.700     0.700 peak   278 spectrum    1 weight  0.10000E+01 volume  0.39773E-02 ppm1      8.263 ppm2      8.143 CV     1
 ASSI {  279}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 68   and name HN  ))
      2.500     0.800     0.800 peak   279 spectrum    1 weight  0.10000E+01 volume  0.39662E-02 ppm1      6.899 ppm2      7.876 CV     1
 ASSI {  281}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 104  and name HA  ))
      2.500     0.800     0.800 peak   281 spectrum    1 weight  0.10000E+01 volume  0.39564E-02 ppm1      8.399 ppm2      5.431 CV     1
 ASSI {  284}
   (( segid " 1SG" and resid 94   and name HN  ))
   (( segid " 1SG" and resid 35   and name HE2 ))
      2.800     2.800     3.200 peak   284 spectrum    1 weight  0.10000E+01 volume  0.39386E-02 ppm1      8.312 ppm2      2.938 CV     1
 OR {  284}
   (( segid " 1SG" and resid 94   and name HN  ))
   (( segid " 1SG" and resid 35   and name HE1 ))
 ASSI {  285}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 4    and name HA  ))
      2.600     0.800     0.800 peak   285 spectrum    1 weight  0.10000E+01 volume  0.39283E-02 ppm1      8.264 ppm2      4.015 CV     1
 ASSI {  287}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 78   and name HN  ))
      2.700     0.900     0.900 peak   287 spectrum    1 weight  0.10000E+01 volume  0.38580E-02 ppm1      8.974 ppm2      8.055 CV     1
 ASSI {  288}
   (( segid " 1SG" and resid 86   and name HN  ))
   (( segid " 1SG" and resid 85   and name HA2 ))
      2.500     0.800     0.800 peak   288 spectrum    1 weight  0.10000E+01 volume  0.38540E-02 ppm1      7.948 ppm2      4.508 CV     1
 ASSI {  290}
   (( segid " 1SG" and resid 48   and name HN  ))
   (( segid " 1SG" and resid 48   and name HB2 ))
      2.700     0.900     0.900 peak   290 spectrum    1 weight  0.10000E+01 volume  0.38225E-02 ppm1      8.397 ppm2      2.936 CV     1
 ASSI {  291}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 65   and name HB1 ))
      2.800     1.000     1.000 peak   291 spectrum    1 weight  0.10000E+01 volume  0.38198E-02 ppm1      8.106 ppm2      1.756 CV     1
 OR {  291}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 65   and name HB2 ))
 ASSI {  294}
   (( segid " 1SG" and resid 98   and name HN  ))
   (( segid " 1SG" and resid 97   and name HA  ))
      2.600     0.900     0.900 peak   294 spectrum    1 weight  0.10000E+01 volume  0.37694E-02 ppm1      8.417 ppm2      5.247 CV     1
 ASSI {  295}
   (( segid " 1SG" and resid 86   and name HN  ))
   (( segid " 1SG" and resid 85   and name HA1 ))
      3.000     1.100     1.100 peak   295 spectrum    1 weight  0.10000E+01 volume  0.37687E-02 ppm1      7.948 ppm2      3.928 CV     1
 ASSI {  297}
   (( segid " 1SG" and resid 19   and name HN  ))
   (( segid " 1SG" and resid 19   and name HA1 ))
      3.000     1.100     1.100 peak   297 spectrum    1 weight  0.10000E+01 volume  0.37251E-02 ppm1      9.829 ppm2      4.250 CV     1
 ASSI {  298}
   (( segid " 1SG" and resid 19   and name HN  ))
   (  segid " 1SG" and resid 18   and name HG1%)
      3.100     1.200     1.200 peak   298 spectrum    1 weight  0.10000E+01 volume  0.37243E-02 ppm1      9.828 ppm2      0.981 CV     1
 ASSI {  300}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 27   and name HA  ))
      2.500     0.800     0.800 peak   300 spectrum    1 weight  0.10000E+01 volume  0.36667E-02 ppm1      9.673 ppm2      5.831 CV     1
 ASSI {  302}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 53   and name HA  ))
      2.400     0.700     0.700 peak   302 spectrum    1 weight  0.10000E+01 volume  0.36639E-02 ppm1      6.765 ppm2      4.049 CV     1
 ASSI {  303}
   (( segid " 1SG" and resid 84   and name HN  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      3.500     1.600     1.600 peak   303 spectrum    1 weight  0.10000E+01 volume  0.36478E-02 ppm1      7.866 ppm2      1.494 CV     1
 ASSI {  304}
   (( segid " 1SG" and resid 30   and name HN  ))
   (  segid " 1SG" and resid 29   and name HB% )
      3.400     1.500     1.500 peak   304 spectrum    1 weight  0.10000E+01 volume  0.36428E-02 ppm1      8.591 ppm2      1.513 CV     1
 ASSI {  305}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 51   and name HN  ))
      2.400     0.700     0.700 peak   305 spectrum    1 weight  0.10000E+01 volume  0.36311E-02 ppm1      7.784 ppm2      7.881 CV     1
 ASSI {  306}
   (( segid " 1SG" and resid 24   and name HN  ))
   (  segid " 1SG" and resid 23   and name HG2%)
      2.800     1.000     1.000 peak   306 spectrum    1 weight  0.10000E+01 volume  0.36181E-02 ppm1      9.240 ppm2      0.769 CV     1
 ASSI {  307}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 34   and name HA  ))
      2.900     1.100     1.100 peak   307 spectrum    1 weight  0.10000E+01 volume  0.36091E-02 ppm1      7.511 ppm2      4.289 CV     1
 ASSI {  308}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 2    and name HA  ))
      2.700     0.900     0.900 peak   308 spectrum    1 weight  0.10000E+01 volume  0.36068E-02 ppm1      8.115 ppm2      4.899 CV     1
 ASSI {  309}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 68   and name HA  ))
      2.800     1.000     1.000 peak   309 spectrum    1 weight  0.10000E+01 volume  0.36062E-02 ppm1      6.899 ppm2      3.593 CV     1
 ASSI {  310}
   (( segid " 1SG" and resid 90   and name HN  ))
   (( segid " 1SG" and resid 89   and name HA  ))
      2.600     0.800     0.800 peak   310 spectrum    1 weight  0.10000E+01 volume  0.35985E-02 ppm1      9.489 ppm2      4.946 CV     1
 ASSI {  311}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (  segid " 1SG" and resid 39   and name HG1%)
      2.700     0.900     0.900 peak   311 spectrum    1 weight  0.10000E+01 volume  0.35982E-02 ppm1     10.780 ppm2     -0.081 CV     1
 ASSI {  312}
   (( segid " 1SG" and resid 93   and name HN  ))
   (( segid " 1SG" and resid 93   and name HA  ))
      2.700     0.900     0.900 peak   312 spectrum    1 weight  0.10000E+01 volume  0.35820E-02 ppm1      8.558 ppm2      4.778 CV     1
 ASSI {  314}
   (( segid " 1SG" and resid 72   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD1%)
      2.700     0.900     0.900 peak   314 spectrum    1 weight  0.10000E+01 volume  0.35526E-02 ppm1      9.295 ppm2      0.842 CV     1
 ASSI {  315}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 67   and name HA  ))
      2.800     1.000     1.000 peak   315 spectrum    1 weight  0.10000E+01 volume  0.35103E-02 ppm1      7.421 ppm2      4.297 CV     1
 ASSI {  316}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 83   and name HA  ))
      2.700     0.900     0.900 peak   316 spectrum    1 weight  0.10000E+01 volume  0.35009E-02 ppm1      8.255 ppm2      4.603 CV     1
 ASSI {  318}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      3.400     1.500     1.500 peak   318 spectrum    1 weight  0.10000E+01 volume  0.34780E-02 ppm1      8.940 ppm2      1.448 CV     1
 ASSI {  319}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 48   and name HA  ))
      2.500     0.800     0.800 peak   319 spectrum    1 weight  0.10000E+01 volume  0.34761E-02 ppm1      9.288 ppm2      4.192 CV     1
 ASSI {  320}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 58   and name HB2 ))
      3.300     1.400     1.400 peak   320 spectrum    1 weight  0.10000E+01 volume  0.34738E-02 ppm1      7.438 ppm2      2.396 CV     1
 OR {  320}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 58   and name HB1 ))
 ASSI {  321}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 73   and name HA  ))
      2.400     0.700     0.700 peak   321 spectrum    1 weight  0.10000E+01 volume  0.34734E-02 ppm1      8.470 ppm2      5.470 CV     1
 ASSI {  322}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 52   and name HA  ))
      2.700     0.900     0.900 peak   322 spectrum    1 weight  0.10000E+01 volume  0.34725E-02 ppm1      7.785 ppm2      4.613 CV     1
 ASSI {  323}
   (( segid " 1SG" and resid 40   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG1%)
      2.900     1.100     1.100 peak   323 spectrum    1 weight  0.10000E+01 volume  0.34291E-02 ppm1      8.694 ppm2     -0.080 CV     1
 ASSI {  324}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 43   and name HA  ))
      2.500     0.800     0.800 peak   324 spectrum    1 weight  0.10000E+01 volume  0.34273E-02 ppm1      8.211 ppm2      4.128 CV     1
 ASSI {  326}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 83   and name HB2 ))
      2.400     0.700     0.700 peak   326 spectrum    1 weight  0.10000E+01 volume  0.33956E-02 ppm1      8.255 ppm2      3.172 CV     1
 ASSI {  327}
   (( segid " 1SG" and resid 75   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD1%)
      3.700     1.700     1.700 peak   327 spectrum    1 weight  0.10000E+01 volume  0.33775E-02 ppm1      9.151 ppm2      0.400 CV     1
 OR {  327}
   (( segid " 1SG" and resid 75   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD2%)
 ASSI {  328}
   (( segid " 1SG" and resid 107  and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      2.800     1.000     1.000 peak   328 spectrum    1 weight  0.10000E+01 volume  0.33751E-02 ppm1      8.822 ppm2      0.372 CV     1
 ASSI {  329}
   (( segid " 1SG" and resid 64   and name HN  ))
   (( segid " 1SG" and resid 64   and name HB2 ))
      2.900     1.000     1.000 peak   329 spectrum    1 weight  0.10000E+01 volume  0.33748E-02 ppm1      7.752 ppm2      2.335 CV     1
 ASSI {  330}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 5    and name HA1 ))
      3.400     1.400     1.400 peak   330 spectrum    1 weight  0.10000E+01 volume  0.33655E-02 ppm1      8.264 ppm2      3.842 CV     1
 OR {  330}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 5    and name HA2 ))
 ASSI {  332}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 75   and name HB2 ))
      2.700     0.900     0.900 peak   332 spectrum    1 weight  0.10000E+01 volume  0.33213E-02 ppm1      9.150 ppm2      2.889 CV     1
 OR {  332}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 75   and name HB1 ))
 ASSI {  333}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 15   and name HB1 ))
      2.900     1.000     1.000 peak   333 spectrum    1 weight  0.10000E+01 volume  0.33164E-02 ppm1      8.504 ppm2      2.013 CV     1
 OR {  333}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 15   and name HB2 ))
 ASSI {  336}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (  segid " 1SG" and resid 59   and name HD2%)
      2.700     0.900     0.900 peak   336 spectrum    1 weight  0.10000E+01 volume  0.32694E-02 ppm1     10.780 ppm2      0.692 CV     1
 ASSI {  339}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 19   and name HN  ))
      2.500     0.800     0.800 peak   339 spectrum    1 weight  0.10000E+01 volume  0.32441E-02 ppm1      8.825 ppm2      9.828 CV     1
 ASSI {  340}
   (( segid " 1SG" and resid 80   and name HE21))
   (( segid " 1SG" and resid 80   and name HG2 ))
      2.700     0.900     0.900 peak   340 spectrum    1 weight  0.10000E+01 volume  0.32391E-02 ppm1      6.984 ppm2      2.164 CV     1
 OR {  340}
   (( segid " 1SG" and resid 80   and name HE21))
   (( segid " 1SG" and resid 80   and name HG1 ))
 ASSI {  342}
   (( segid " 1SG" and resid 18   and name HN  ))
   (( segid " 1SG" and resid 17   and name HB  ))
      3.000     1.100     1.100 peak   342 spectrum    1 weight  0.10000E+01 volume  0.32306E-02 ppm1      8.006 ppm2      4.061 CV     1
 ASSI {  344}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 107  and name HB1 ))
      2.800     1.000     1.000 peak   344 spectrum    1 weight  0.10000E+01 volume  0.32200E-02 ppm1      8.825 ppm2      3.076 CV     1
 OR {  344}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 107  and name HB2 ))
 ASSI {  346}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HA  ))
      2.700     0.900     0.900 peak   346 spectrum    1 weight  0.10000E+01 volume  0.32058E-02 ppm1      8.305 ppm2      3.450 CV     1
 ASSI {  348}
   (( segid " 1SG" and resid 21   and name HN  ))
   (( segid " 1SG" and resid 20   and name HN  ))
      3.500     1.500     1.500 peak   348 spectrum    1 weight  0.10000E+01 volume  0.31832E-02 ppm1      8.168 ppm2      8.828 CV     1
 ASSI {  350}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 42   and name HA  ))
      2.600     0.900     0.900 peak   350 spectrum    1 weight  0.10000E+01 volume  0.31670E-02 ppm1      8.632 ppm2      5.786 CV     1
 ASSI {  351}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 54   and name HN  ))
      2.700     0.900     0.900 peak   351 spectrum    1 weight  0.10000E+01 volume  0.31491E-02 ppm1      7.198 ppm2      9.022 CV     1
 ASSI {  352}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 15   and name HB2 ))
      3.400     1.400     1.400 peak   352 spectrum    1 weight  0.10000E+01 volume  0.31478E-02 ppm1      8.593 ppm2      2.019 CV     1
 OR {  352}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 15   and name HB1 ))
 ASSI {  353}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 4    and name HG12))
      3.500     1.600     1.600 peak   353 spectrum    1 weight  0.10000E+01 volume  0.31478E-02 ppm1      8.263 ppm2      1.225 CV     1
 ASSI {  354}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 16   and name HA  ))
      2.800     1.000     1.000 peak   354 spectrum    1 weight  0.10000E+01 volume  0.31446E-02 ppm1      8.593 ppm2      4.581 CV     1
 ASSI {  355}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 52   and name HA  ))
      3.200     1.300     1.300 peak   355 spectrum    1 weight  0.10000E+01 volume  0.31428E-02 ppm1      6.764 ppm2      4.611 CV     1
 ASSI {  356}
   (( segid " 1SG" and resid 48   and name HN  ))
   (  segid " 1SG" and resid 47   and name HG2%)
      3.600     1.700     1.700 peak   356 spectrum    1 weight  0.10000E+01 volume  0.31350E-02 ppm1      8.397 ppm2      0.779 CV     1
 ASSI {  357}
   (( segid " 1SG" and resid 23   and name HN  ))
   (( segid " 1SG" and resid 22   and name HG12))
      3.800     1.800     1.800 peak   357 spectrum    1 weight  0.10000E+01 volume  0.31324E-02 ppm1      7.913 ppm2      0.071 CV     1
 ASSI {  358}
   (( segid " 1SG" and resid 39   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG2%)
      2.600     0.900     0.900 peak   358 spectrum    1 weight  0.10000E+01 volume  0.31313E-02 ppm1      7.891 ppm2     -0.459 CV     1
 ASSI {  362}
   (( segid " 1SG" and resid 18   and name HN  ))
   (( segid " 1SG" and resid 18   and name HA  ))
      2.700     0.900     0.900 peak   362 spectrum    1 weight  0.10000E+01 volume  0.30910E-02 ppm1      8.005 ppm2      3.479 CV     1
 ASSI {  363}
   (( segid " 1SG" and resid 47   and name HN  ))
   (  segid " 1SG" and resid 47   and name HG2%)
      2.600     0.800     0.800 peak   363 spectrum    1 weight  0.10000E+01 volume  0.30670E-02 ppm1      7.291 ppm2      0.780 CV     1
 ASSI {  364}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 65   and name HN  ))
      2.700     0.900     0.900 peak   364 spectrum    1 weight  0.10000E+01 volume  0.30614E-02 ppm1      8.106 ppm2      8.306 CV     1
 ASSI {  367}
   (( segid " 1SG" and resid 17   and name HN  ))
   (( segid " 1SG" and resid 16   and name HB  ))
      2.800     1.000     1.000 peak   367 spectrum    1 weight  0.10000E+01 volume  0.30465E-02 ppm1      7.901 ppm2      1.791 CV     1
 ASSI {  368}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 67   and name HB1 ))
      2.800     1.000     1.000 peak   368 spectrum    1 weight  0.10000E+01 volume  0.30435E-02 ppm1      7.421 ppm2      3.728 CV     1
 OR {  368}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 67   and name HB2 ))
 ASSI {  370}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 61   and name HB2 ))
      3.300     1.300     1.300 peak   370 spectrum    1 weight  0.10000E+01 volume  0.30355E-02 ppm1      8.849 ppm2      2.303 CV     1
 ASSI {  371}
   (( segid " 1SG" and resid 92   and name HN  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      2.600     0.800     0.800 peak   371 spectrum    1 weight  0.10000E+01 volume  0.30315E-02 ppm1      8.734 ppm2      0.173 CV     1
 ASSI {  372}
   (( segid " 1SG" and resid 64   and name HN  ))
   (( segid " 1SG" and resid 64   and name HA  ))
      2.800     1.000     1.000 peak   372 spectrum    1 weight  0.10000E+01 volume  0.30280E-02 ppm1      7.752 ppm2      4.579 CV     1
 ASSI {  373}
   (( segid " 1SG" and resid 64   and name HN  ))
   (  segid " 1SG" and resid 63   and name HD% )
      3.300     1.300     1.300 peak   373 spectrum    1 weight  0.10000E+01 volume  0.30167E-02 ppm1      7.752 ppm2      5.902 CV     1
 ASSI {  374}
   (( segid " 1SG" and resid 77   and name HN  ))
   (  segid " 1SG" and resid 77   and name HG2%)
      2.800     1.000     1.000 peak   374 spectrum    1 weight  0.10000E+01 volume  0.30032E-02 ppm1      8.717 ppm2      1.030 CV     1
 ASSI {  376}
   (( segid " 1SG" and resid 42   and name HN  ))
   (( segid " 1SG" and resid 41   and name HA  ))
      2.600     0.900     0.900 peak   376 spectrum    1 weight  0.10000E+01 volume  0.29949E-02 ppm1      9.447 ppm2      5.468 CV     1
 ASSI {  378}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 12   and name HB2 ))
      3.300     1.400     1.400 peak   378 spectrum    1 weight  0.10000E+01 volume  0.29857E-02 ppm1      8.312 ppm2      1.966 CV     1
 ASSI {  379}
   (( segid " 1SG" and resid 58   and name HE22))
   (( segid " 1SG" and resid 58   and name HB2 ))
      3.700     1.700     1.700 peak   379 spectrum    1 weight  0.10000E+01 volume  0.29783E-02 ppm1      6.684 ppm2      2.396 CV     1
 OR {  379}
   (( segid " 1SG" and resid 58   and name HE22))
   (( segid " 1SG" and resid 58   and name HB1 ))
 ASSI {  382}
   (( segid " 1SG" and resid 76   and name HN  ))
   (( segid " 1SG" and resid 76   and name HB  ))
      2.600     0.800     0.800 peak   382 spectrum    1 weight  0.10000E+01 volume  0.29583E-02 ppm1      8.925 ppm2      1.902 CV     1
 ASSI {  383}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 12   and name HG1 ))
      4.000     2.000     2.000 peak   383 spectrum    1 weight  0.10000E+01 volume  0.29550E-02 ppm1      8.312 ppm2      2.471 CV     1
 OR {  383}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 12   and name HG2 ))
 ASSI {  384}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 96   and name HG1 ))
      3.200     1.300     1.300 peak   384 spectrum    1 weight  0.10000E+01 volume  0.29519E-02 ppm1      7.548 ppm2      1.318 CV     1
 OR {  384}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 96   and name HG2 ))
 ASSI {  388}
   (( segid " 1SG" and resid 106  and name HN  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      3.400     1.500     1.500 peak   388 spectrum    1 weight  0.10000E+01 volume  0.29221E-02 ppm1      8.150 ppm2      1.495 CV     1
 ASSI {  389}
   (( segid " 1SG" and resid 26   and name HN  ))
   (  segid " 1SG" and resid 26   and name HB% )
      2.700     0.900     0.900 peak   389 spectrum    1 weight  0.10000E+01 volume  0.29191E-02 ppm1      9.497 ppm2      1.455 CV     1
 ASSI {  390}
   (( segid " 1SG" and resid 20   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      3.200     1.300     1.300 peak   390 spectrum    1 weight  0.10000E+01 volume  0.29156E-02 ppm1      8.825 ppm2      1.174 CV     1
 ASSI {  391}
   (( segid " 1SG" and resid 21   and name HN  ))
   (( segid " 1SG" and resid 21   and name HA  ))
      2.600     0.800     0.800 peak   391 spectrum    1 weight  0.10000E+01 volume  0.29114E-02 ppm1      8.169 ppm2      5.493 CV     1
 ASSI {  392}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 59   and name HG  ))
      3.600     1.600     1.600 peak   392 spectrum    1 weight  0.10000E+01 volume  0.29082E-02 ppm1      8.382 ppm2      1.425 CV     1
 ASSI {  393}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 57   and name HA  ))
      2.600     0.900     0.900 peak   393 spectrum    1 weight  0.10000E+01 volume  0.29082E-02 ppm1      7.198 ppm2      5.399 CV     1
 ASSI {  395}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 107  and name HA  ))
      2.800     1.000     1.000 peak   395 spectrum    1 weight  0.10000E+01 volume  0.28988E-02 ppm1      8.825 ppm2      4.841 CV     1
 ASSI {  396}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 53   and name HB  ))
      3.600     1.600     1.600 peak   396 spectrum    1 weight  0.10000E+01 volume  0.28899E-02 ppm1      9.019 ppm2      2.127 CV     1
 ASSI {  397}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 52   and name HG2 ))
      2.600     0.900     0.900 peak   397 spectrum    1 weight  0.10000E+01 volume  0.28883E-02 ppm1      7.786 ppm2      1.324 CV     1
 OR {  397}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 52   and name HG1 ))
 ASSI {  398}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 13   and name HA  ))
      2.800     1.000     1.000 peak   398 spectrum    1 weight  0.10000E+01 volume  0.28860E-02 ppm1      8.312 ppm2      5.337 CV     1
 ASSI {  399}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 44   and name HA1 ))
      2.700     0.900     0.900 peak   399 spectrum    1 weight  0.10000E+01 volume  0.28730E-02 ppm1      8.211 ppm2      3.463 CV     1
 ASSI {  401}
   (( segid " 1SG" and resid 12   and name HN  ))
   (( segid " 1SG" and resid 12   and name HG2 ))
      2.900     1.100     1.100 peak   401 spectrum    1 weight  0.10000E+01 volume  0.28580E-02 ppm1      8.346 ppm2      2.468 CV     1
 OR {  401}
   (( segid " 1SG" and resid 12   and name HN  ))
   (( segid " 1SG" and resid 12   and name HG1 ))
 ASSI {  403}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB2 ))
      3.400     1.500     1.500 peak   403 spectrum    1 weight  0.10000E+01 volume  0.28417E-02 ppm1      8.686 ppm2      1.687 CV     1
 OR {  403}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB1 ))
 ASSI {  404}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 62   and name HA  ))
      2.800     1.000     1.000 peak   404 spectrum    1 weight  0.10000E+01 volume  0.28404E-02 ppm1      8.849 ppm2      4.602 CV     1
 ASSI {  407}
   (( segid " 1SG" and resid 60   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD2%)
      3.000     1.100     1.100 peak   407 spectrum    1 weight  0.10000E+01 volume  0.28208E-02 ppm1      8.689 ppm2      0.691 CV     1
 ASSI {  408}
   (( segid " 1SG" and resid 106  and name HN  ))
   (  segid " 1SG" and resid 106  and name HG1%)
      2.600     0.800     0.800 peak   408 spectrum    1 weight  0.10000E+01 volume  0.28062E-02 ppm1      8.151 ppm2      0.679 CV     1
 ASSI {  409}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 41   and name HD1 ))
      2.800     1.000     1.000 peak   409 spectrum    1 weight  0.10000E+01 volume  0.27933E-02 ppm1      9.308 ppm2      7.130 CV     1
 ASSI {  411}
   (( segid " 1SG" and resid 51   and name HN  ))
   (( segid " 1SG" and resid 51   and name HA  ))
      2.900     1.100     1.100 peak   411 spectrum    1 weight  0.10000E+01 volume  0.27449E-02 ppm1      7.877 ppm2      4.560 CV     1
 ASSI {  413}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 15   and name HG1 ))
      3.200     1.300     1.300 peak   413 spectrum    1 weight  0.10000E+01 volume  0.27354E-02 ppm1      8.506 ppm2      2.277 CV     1
 OR {  413}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 15   and name HG2 ))
 ASSI {  415}
   (( segid " 1SG" and resid 17   and name HN  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      3.100     1.200     1.200 peak   415 spectrum    1 weight  0.10000E+01 volume  0.27348E-02 ppm1      7.900 ppm2      0.602 CV     1
 ASSI {  416}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 15   and name HA  ))
      2.800     1.000     1.000 peak   416 spectrum    1 weight  0.10000E+01 volume  0.27274E-02 ppm1      8.504 ppm2      5.491 CV     1
 ASSI {  417}
   (( segid " 1SG" and resid 103  and name HD21))
   (( segid " 1SG" and resid 103  and name HB2 ))
      2.700     0.900     0.900 peak   417 spectrum    1 weight  0.10000E+01 volume  0.27242E-02 ppm1      7.721 ppm2      2.502 CV     1
 ASSI {  421}
   (( segid " 1SG" and resid 80   and name HE22))
   (( segid " 1SG" and resid 80   and name HG2 ))
      3.700     1.700     1.700 peak   421 spectrum    1 weight  0.10000E+01 volume  0.27127E-02 ppm1      6.645 ppm2      2.164 CV     1
 OR {  421}
   (( segid " 1SG" and resid 80   and name HE22))
   (( segid " 1SG" and resid 80   and name HG1 ))
 ASSI {  422}
   (( segid " 1SG" and resid 100  and name HN  ))
   (( segid " 1SG" and resid 99   and name HA  ))
      2.800     1.000     1.000 peak   422 spectrum    1 weight  0.10000E+01 volume  0.27002E-02 ppm1      8.896 ppm2      5.700 CV     1
 ASSI {  424}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 38   and name HA  ))
      2.800     1.000     1.000 peak   424 spectrum    1 weight  0.10000E+01 volume  0.26866E-02 ppm1      8.372 ppm2      3.897 CV     1
 ASSI {  425}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 53   and name HB  ))
      3.000     1.100     1.100 peak   425 spectrum    1 weight  0.10000E+01 volume  0.26778E-02 ppm1      7.785 ppm2      2.145 CV     1
 ASSI {  426}
   (( segid " 1SG" and resid 78   and name HN  ))
   (  segid " 1SG" and resid 77   and name HG2%)
      3.900     1.900     1.900 peak   426 spectrum    1 weight  0.10000E+01 volume  0.26774E-02 ppm1      8.054 ppm2      1.025 CV     1
 ASSI {  427}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 103  and name HB2 ))
      2.900     1.100     1.100 peak   427 spectrum    1 weight  0.10000E+01 volume  0.26760E-02 ppm1      9.242 ppm2      2.501 CV     1
 ASSI {  430}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 50   and name HA  ))
      3.000     1.100     1.100 peak   430 spectrum    1 weight  0.10000E+01 volume  0.26459E-02 ppm1      8.940 ppm2      3.956 CV     1
 ASSI {  431}
   (( segid " 1SG" and resid 23   and name HN  ))
   (  segid " 1SG" and resid 22   and name HD1%)
      2.800     1.000     1.000 peak   431 spectrum    1 weight  0.10000E+01 volume  0.26428E-02 ppm1      7.912 ppm2      0.534 CV     1
 ASSI {  432}
   (( segid " 1SG" and resid 30   and name HN  ))
   (( segid " 1SG" and resid 69   and name HA  ))
      2.700     0.900     0.900 peak   432 spectrum    1 weight  0.10000E+01 volume  0.26352E-02 ppm1      8.591 ppm2      4.580 CV     1
 ASSI {  434}
   (( segid " 1SG" and resid 61   and name HN  ))
   (( segid " 1SG" and resid 61   and name HA  ))
      2.700     0.900     0.900 peak   434 spectrum    1 weight  0.10000E+01 volume  0.26232E-02 ppm1      8.180 ppm2      5.560 CV     1
 ASSI {  435}
   (( segid " 1SG" and resid 87   and name HN  ))
   (( segid " 1SG" and resid 86   and name HA2 ))
      2.500     0.800     0.800 peak   435 spectrum    1 weight  0.10000E+01 volume  0.26167E-02 ppm1      9.112 ppm2      4.658 CV     1
 ASSI {  437}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 13   and name HA  ))
      2.800     1.000     1.000 peak   437 spectrum    1 weight  0.10000E+01 volume  0.26107E-02 ppm1      9.242 ppm2      5.338 CV     1
 ASSI {  439}
   (( segid " 1SG" and resid 8    and name HN  ))
   (( segid " 1SG" and resid 7    and name HA  ))
      2.700     0.900     0.900 peak   439 spectrum    1 weight  0.10000E+01 volume  0.26052E-02 ppm1      9.052 ppm2      4.631 CV     1
 ASSI {  440}
   (( segid " 1SG" and resid 86   and name HN  ))
   (( segid " 1SG" and resid 86   and name HA2 ))
      3.000     1.200     1.200 peak   440 spectrum    1 weight  0.10000E+01 volume  0.26050E-02 ppm1      7.947 ppm2      4.658 CV     1
 ASSI {  443}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 77   and name HB  ))
      2.700     0.900     0.900 peak   443 spectrum    1 weight  0.10000E+01 volume  0.25748E-02 ppm1      8.053 ppm2      4.009 CV     1
 ASSI {  446}
   (( segid " 1SG" and resid 101  and name HN  ))
   (( segid " 1SG" and resid 100  and name HA  ))
      2.700     0.900     0.900 peak   446 spectrum    1 weight  0.10000E+01 volume  0.25364E-02 ppm1      9.045 ppm2      4.660 CV     1
 ASSI {  448}
   (( segid " 1SG" and resid 63   and name HN  ))
   (( segid " 1SG" and resid 62   and name HB2 ))
      3.400     1.500     1.500 peak   448 spectrum    1 weight  0.10000E+01 volume  0.25353E-02 ppm1      8.516 ppm2      3.810 CV     1
 ASSI {  449}
   (( segid " 1SG" and resid 8    and name HN  ))
   (  segid " 1SG" and resid 8    and name HG2%)
      2.800     1.000     1.000 peak   449 spectrum    1 weight  0.10000E+01 volume  0.25352E-02 ppm1      9.052 ppm2      0.947 CV     1
 OR {  449}
   (( segid " 1SG" and resid 8    and name HN  ))
   (  segid " 1SG" and resid 8    and name HG1%)
 ASSI {  450}
   (( segid " 1SG" and resid 9    and name HN  ))
   (  segid " 1SG" and resid 8    and name HG2%)
      3.600     1.600     1.600 peak   450 spectrum    1 weight  0.10000E+01 volume  0.25196E-02 ppm1      7.890 ppm2      0.950 CV     1
 OR {  450}
   (( segid " 1SG" and resid 9    and name HN  ))
   (  segid " 1SG" and resid 8    and name HG1%)
 ASSI {  453}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 52   and name HB2 ))
      2.900     1.100     1.100 peak   453 spectrum    1 weight  0.10000E+01 volume  0.24958E-02 ppm1      7.785 ppm2      1.718 CV     1
 ASSI {  454}
   (( segid " 1SG" and resid 39   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG1%)
      3.800     1.900     1.900 peak   454 spectrum    1 weight  0.10000E+01 volume  0.24912E-02 ppm1      7.892 ppm2     -0.081 CV     1
 ASSI {  456}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 37   and name HB2 ))
      3.400     1.400     1.400 peak   456 spectrum    1 weight  0.10000E+01 volume  0.24758E-02 ppm1      8.373 ppm2      1.365 CV     1
 OR {  456}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 37   and name HG2 ))
 ASSI {  458}
   (( segid " 1SG" and resid 48   and name HN  ))
   (  segid " 1SG" and resid 47   and name HG1%)
      3.200     1.300     1.300 peak   458 spectrum    1 weight  0.10000E+01 volume  0.24617E-02 ppm1      8.397 ppm2      0.978 CV     1
 ASSI {  460}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 54   and name HA1 ))
      2.900     1.000     1.000 peak   460 spectrum    1 weight  0.10000E+01 volume  0.24523E-02 ppm1      9.019 ppm2      3.910 CV     1
 ASSI {  461}
   (( segid " 1SG" and resid 93   and name HN  ))
   (  segid " 1SG" and resid 93   and name HG2%)
      3.500     1.500     1.500 peak   461 spectrum    1 weight  0.10000E+01 volume  0.24471E-02 ppm1      8.557 ppm2      1.024 CV     1
 ASSI {  463}
   (( segid " 1SG" and resid 84   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG1%)
      2.700     0.900     0.900 peak   463 spectrum    1 weight  0.10000E+01 volume  0.24053E-02 ppm1      7.866 ppm2      0.680 CV     1
 ASSI {  465}
   (( segid " 1SG" and resid 40   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG2%)
      3.900     1.900     1.900 peak   465 spectrum    1 weight  0.10000E+01 volume  0.23978E-02 ppm1      8.695 ppm2     -0.459 CV     1
 ASSI {  466}
   (( segid " 1SG" and resid 24   and name HN  ))
   (  segid " 1SG" and resid 24   and name HD% )
      3.000     1.100     1.100 peak   466 spectrum    1 weight  0.10000E+01 volume  0.23895E-02 ppm1      9.240 ppm2      6.937 CV     1
 ASSI {  468}
   (( segid " 1SG" and resid 83   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG1%)
      2.800     1.000     1.000 peak   468 spectrum    1 weight  0.10000E+01 volume  0.23873E-02 ppm1      8.255 ppm2      0.675 CV     1
 ASSI {  469}
   (( segid " 1SG" and resid 27   and name HN  ))
   (  segid " 1SG" and resid 26   and name HB% )
      3.300     1.400     1.400 peak   469 spectrum    1 weight  0.10000E+01 volume  0.23780E-02 ppm1      8.888 ppm2      1.455 CV     1
 ASSI {  470}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 47   and name HA  ))
      2.800     1.000     1.000 peak   470 spectrum    1 weight  0.10000E+01 volume  0.23743E-02 ppm1      7.291 ppm2      4.058 CV     1
 ASSI {  474}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 21   and name HB2 ))
      2.900     1.000     1.000 peak   474 spectrum    1 weight  0.10000E+01 volume  0.23661E-02 ppm1      8.888 ppm2      3.751 CV     1
 ASSI {  476}
   (( segid " 1SG" and resid 51   and name HN  ))
   (( segid " 1SG" and resid 50   and name HN  ))
      2.800     1.000     1.000 peak   476 spectrum    1 weight  0.10000E+01 volume  0.23580E-02 ppm1      7.880 ppm2      8.943 CV     1
 ASSI {  477}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 18   and name HA  ))
      4.000     2.000     2.000 peak   477 spectrum    1 weight  0.10000E+01 volume  0.23558E-02 ppm1      8.823 ppm2      3.479 CV     1
 ASSI {  479}
   (( segid " 1SG" and resid 76   and name HN  ))
   (  segid " 1SG" and resid 23   and name HG2%)
      3.600     1.600     1.600 peak   479 spectrum    1 weight  0.10000E+01 volume  0.23520E-02 ppm1      8.927 ppm2      0.780 CV     1
 ASSI {  480}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 22   and name HA  ))
      2.700     0.900     0.900 peak   480 spectrum    1 weight  0.10000E+01 volume  0.23396E-02 ppm1      8.888 ppm2      4.342 CV     1
 ASSI {  482}
   (( segid " 1SG" and resid 49   and name HN  ))
   (  segid " 1SG" and resid 49   and name HD1%)
      2.700     0.900     0.900 peak   482 spectrum    1 weight  0.10000E+01 volume  0.23335E-02 ppm1      9.288 ppm2      1.750 CV     1
 ASSI {  483}
   (( segid " 1SG" and resid 30   and name HN  ))
   (( segid " 1SG" and resid 30   and name HA1 ))
      2.700     0.900     0.900 peak   483 spectrum    1 weight  0.10000E+01 volume  0.23258E-02 ppm1      8.591 ppm2      3.945 CV     1
 ASSI {  484}
   (( segid " 1SG" and resid 18   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.100     1.200     1.200 peak   484 spectrum    1 weight  0.10000E+01 volume  0.23024E-02 ppm1      8.006 ppm2      0.372 CV     1
 ASSI {  487}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 69   and name HB  ))
      3.000     3.000     3.000 peak   487 spectrum    1 weight  0.10000E+01 volume  0.22768E-02 ppm1      8.723 ppm2      1.750 CV     1
 ASSI {  489}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 97   and name HB2 ))
      3.100     1.200     1.200 peak   489 spectrum    1 weight  0.10000E+01 volume  0.22717E-02 ppm1      8.062 ppm2      2.677 CV     1
 ASSI {  490}
   (( segid " 1SG" and resid 83   and name HN  ))
   (  segid " 1SG" and resid 83   and name HD% )
      3.600     1.700     1.700 peak   490 spectrum    1 weight  0.10000E+01 volume  0.22716E-02 ppm1      8.256 ppm2      7.116 CV     1
 ASSI {  493}
   (( segid " 1SG" and resid 23   and name HN  ))
   (( segid " 1SG" and resid 22   and name HB  ))
      3.800     1.800     1.800 peak   493 spectrum    1 weight  0.10000E+01 volume  0.22635E-02 ppm1      7.914 ppm2      1.515 CV     1
 ASSI {  495}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 44   and name HA2 ))
      2.900     1.000     1.000 peak   495 spectrum    1 weight  0.10000E+01 volume  0.22513E-02 ppm1      8.211 ppm2      3.816 CV     1
 ASSI {  498}
   (( segid " 1SG" and resid 52   and name HN  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      3.200     1.300     1.300 peak   498 spectrum    1 weight  0.10000E+01 volume  0.22420E-02 ppm1      7.782 ppm2      1.075 CV     1
 ASSI {  500}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 66   and name HA  ))
      3.100     1.200     1.200 peak   500 spectrum    1 weight  0.10000E+01 volume  0.22381E-02 ppm1      7.422 ppm2      4.123 CV     1
 ASSI {  501}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 106  and name HB  ))
      2.900     1.100     1.100 peak   501 spectrum    1 weight  0.10000E+01 volume  0.22347E-02 ppm1      8.151 ppm2      1.850 CV     1
 ASSI {  502}
   (( segid " 1SG" and resid 30   and name HN  ))
   (  segid " 1SG" and resid 69   and name HG1%)
      3.700     1.700     1.700 peak   502 spectrum    1 weight  0.10000E+01 volume  0.22268E-02 ppm1      8.591 ppm2      0.849 CV     1
 OR {  502}
   (( segid " 1SG" and resid 30   and name HN  ))
   (  segid " 1SG" and resid 69   and name HG2%)
 ASSI {  503}
   (( segid " 1SG" and resid 87   and name HN  ))
   (  segid " 1SG" and resid 87   and name HD% )
      2.600     0.800     0.800 peak   503 spectrum    1 weight  0.10000E+01 volume  0.22110E-02 ppm1      9.115 ppm2      6.800 CV     1
 ASSI {  504}
   (( segid " 1SG" and resid 61   and name HN  ))
   (( segid " 1SG" and resid 60   and name HB2 ))
      3.800     1.800     1.800 peak   504 spectrum    1 weight  0.10000E+01 volume  0.22027E-02 ppm1      8.180 ppm2      2.991 CV     1
 ASSI {  506}
   (( segid " 1SG" and resid 82   and name HN  ))
   (  segid " 1SG" and resid 82   and name HB% )
      3.200     1.300     1.300 peak   506 spectrum    1 weight  0.10000E+01 volume  0.21870E-02 ppm1      8.017 ppm2      1.312 CV     1
 ASSI {  508}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 96   and name HB2 ))
      3.800     1.800     1.800 peak   508 spectrum    1 weight  0.10000E+01 volume  0.21780E-02 ppm1      8.059 ppm2      1.560 CV     1
 ASSI {  509}
   (( segid " 1SG" and resid 80   and name HE21))
   (( segid " 1SG" and resid 80   and name HB1 ))
      3.100     1.200     1.200 peak   509 spectrum    1 weight  0.10000E+01 volume  0.21745E-02 ppm1      6.985 ppm2      1.949 CV     1
 OR {  509}
   (( segid " 1SG" and resid 80   and name HE21))
   (( segid " 1SG" and resid 80   and name HB2 ))
 ASSI {  510}
   (( segid " 1SG" and resid 85   and name HN  ))
   (( segid " 1SG" and resid 85   and name HA1 ))
      2.800     0.900     0.900 peak   510 spectrum    1 weight  0.10000E+01 volume  0.21646E-02 ppm1      9.407 ppm2      3.930 CV     1
 ASSI {  511}
   (( segid " 1SG" and resid 12   and name HN  ))
   (( segid " 1SG" and resid 12   and name HB2 ))
      2.900     1.100     1.100 peak   511 spectrum    1 weight  0.10000E+01 volume  0.21534E-02 ppm1      8.347 ppm2      1.969 CV     1
 ASSI {  512}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 102  and name HB2 ))
      3.400     1.500     1.500 peak   512 spectrum    1 weight  0.10000E+01 volume  0.21533E-02 ppm1      9.242 ppm2      2.724 CV     1
 ASSI {  515}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 20   and name HN  ))
      3.200     1.300     1.300 peak   515 spectrum    1 weight  0.10000E+01 volume  0.21459E-02 ppm1      8.972 ppm2      8.828 CV     1
 ASSI {  516}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 8    and name HB  ))
      2.900     1.000     1.000 peak   516 spectrum    1 weight  0.10000E+01 volume  0.21364E-02 ppm1      7.887 ppm2      1.807 CV     1
 ASSI {  518}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 87   and name HA  ))
      2.800     1.000     1.000 peak   518 spectrum    1 weight  0.10000E+01 volume  0.21295E-02 ppm1      9.108 ppm2      4.962 CV     1
 ASSI {  522}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB1 ))
      3.600     1.700     1.700 peak   522 spectrum    1 weight  0.10000E+01 volume  0.21127E-02 ppm1      8.381 ppm2      2.395 CV     1
 OR {  522}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB2 ))
 ASSI {  526}
   (( segid " 1SG" and resid 29   and name HN  ))
   (( segid " 1SG" and resid 29   and name HA  ))
      2.900     1.000     1.000 peak   526 spectrum    1 weight  0.10000E+01 volume  0.20718E-02 ppm1      8.854 ppm2      4.390 CV     1
 ASSI {  527}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 49   and name HG  ))
      3.000     1.100     1.100 peak   527 spectrum    1 weight  0.10000E+01 volume  0.20633E-02 ppm1      9.289 ppm2      0.785 CV     1
 ASSI {  530}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 54   and name HA2 ))
      3.300     1.300     1.300 peak   530 spectrum    1 weight  0.10000E+01 volume  0.20493E-02 ppm1      9.019 ppm2      4.291 CV     1
 ASSI {  531}
   (( segid " 1SG" and resid 19   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      3.300     1.300     1.300 peak   531 spectrum    1 weight  0.10000E+01 volume  0.20350E-02 ppm1      9.828 ppm2      1.174 CV     1
 ASSI {  532}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 60   and name HB2 ))
      2.800     1.000     1.000 peak   532 spectrum    1 weight  0.10000E+01 volume  0.20331E-02 ppm1      8.687 ppm2      2.990 CV     1
 ASSI {  533}
   (( segid " 1SG" and resid 5    and name HN  ))
   (( segid " 1SG" and resid 4    and name HB  ))
      2.500     0.800     0.800 peak   533 spectrum    1 weight  0.10000E+01 volume  0.20237E-02 ppm1      8.144 ppm2      2.029 CV     1
 ASSI {  534}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 71   and name HN  ))
      2.900     1.100     1.100 peak   534 spectrum    1 weight  0.10000E+01 volume  0.20219E-02 ppm1      8.848 ppm2      8.722 CV     1
 ASSI {  535}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 105  and name HB  ))
      2.900     1.100     1.100 peak   535 spectrum    1 weight  0.10000E+01 volume  0.20122E-02 ppm1      8.398 ppm2      3.929 CV     1
 ASSI {  537}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 58   and name HA  ))
      2.800     1.000     1.000 peak   537 spectrum    1 weight  0.10000E+01 volume  0.20101E-02 ppm1      8.940 ppm2      4.631 CV     1
 ASSI {  539}
   (( segid " 1SG" and resid 28   and name HN  ))
   (  segid " 1SG" and resid 28   and name HG2%)
      3.000     1.100     1.100 peak   539 spectrum    1 weight  0.10000E+01 volume  0.20031E-02 ppm1      9.673 ppm2      0.631 CV     1
 ASSI {  540}
   (( segid " 1SG" and resid 48   and name HN  ))
   (( segid " 1SG" and resid 48   and name HA  ))
      3.000     1.100     1.100 peak   540 spectrum    1 weight  0.10000E+01 volume  0.19961E-02 ppm1      8.396 ppm2      4.191 CV     1
 ASSI {  541}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 40   and name HB2 ))
      3.600     1.600     1.600 peak   541 spectrum    1 weight  0.10000E+01 volume  0.19945E-02 ppm1      8.694 ppm2      1.340 CV     1
 ASSI {  542}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 59   and name HA  ))
      2.800     1.000     1.000 peak   542 spectrum    1 weight  0.10000E+01 volume  0.19929E-02 ppm1      8.380 ppm2      5.185 CV     1
 ASSI {  544}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 16   and name HN  ))
      3.200     1.300     1.300 peak   544 spectrum    1 weight  0.10000E+01 volume  0.19817E-02 ppm1      8.823 ppm2      8.584 CV     1
 ASSI {  545}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 93   and name HN  ))
      2.800     1.000     1.000 peak   545 spectrum    1 weight  0.10000E+01 volume  0.19803E-02 ppm1      7.548 ppm2      8.557 CV     1
 ASSI {  546}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 71   and name HB2 ))
      3.300     1.400     1.400 peak   546 spectrum    1 weight  0.10000E+01 volume  0.19749E-02 ppm1      8.723 ppm2      1.271 CV     1
 ASSI {  548}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 58   and name HG2 ))
      4.400     2.400     1.600 peak   548 spectrum    1 weight  0.10000E+01 volume  0.19679E-02 ppm1      8.378 ppm2      1.797 CV     1
 ASSI {  549}
   (( segid " 1SG" and resid 91   and name HN  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      3.800     1.800     1.800 peak   549 spectrum    1 weight  0.10000E+01 volume  0.19678E-02 ppm1      8.474 ppm2      0.179 CV     1
 ASSI {  550}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 14   and name HA2 ))
      2.800     1.000     1.000 peak   550 spectrum    1 weight  0.10000E+01 volume  0.19632E-02 ppm1      9.184 ppm2      4.939 CV     1
 ASSI {  551}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 40   and name HB2 ))
      3.400     1.500     1.500 peak   551 spectrum    1 weight  0.10000E+01 volume  0.19595E-02 ppm1      9.309 ppm2      1.344 CV     1
 ASSI {  554}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 88   and name HA  ))
      2.900     1.000     1.000 peak   554 spectrum    1 weight  0.10000E+01 volume  0.19501E-02 ppm1      8.977 ppm2      5.305 CV     1
 ASSI {  555}
   (( segid " 1SG" and resid 59   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD1%)
      4.200     2.200     1.800 peak   555 spectrum    1 weight  0.10000E+01 volume  0.19463E-02 ppm1      8.380 ppm2      0.859 CV     1
 ASSI {  558}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 49   and name HN  ))
      2.900     1.000     1.000 peak   558 spectrum    1 weight  0.10000E+01 volume  0.19293E-02 ppm1      8.941 ppm2      9.293 CV     1
 ASSI {  559}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 47   and name HB  ))
      3.400     1.500     1.500 peak   559 spectrum    1 weight  0.10000E+01 volume  0.19270E-02 ppm1      8.633 ppm2      2.501 CV     1
 ASSI {  560}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 92   and name HB2 ))
      3.100     1.200     1.200 peak   560 spectrum    1 weight  0.10000E+01 volume  0.19212E-02 ppm1      8.734 ppm2      3.936 CV     1
 OR {  560}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 92   and name HB1 ))
 ASSI {  561}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 96   and name HB2 ))
      2.400     0.700     0.700 peak   561 spectrum    1 weight  0.10000E+01 volume  0.19156E-02 ppm1      7.548 ppm2      1.566 CV     1
 ASSI {  563}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 64   and name HA  ))
      3.700     1.700     1.700 peak   563 spectrum    1 weight  0.10000E+01 volume  0.19056E-02 ppm1      8.107 ppm2      4.573 CV     1
 ASSI {  564}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 39   and name HA  ))
      2.800     1.000     1.000 peak   564 spectrum    1 weight  0.10000E+01 volume  0.19026E-02 ppm1      7.892 ppm2      4.799 CV     1
 ASSI {  565}
   (( segid " 1SG" and resid 72   and name HN  ))
   (  segid " 1SG" and resid 72   and name HD% )
      2.700     0.900     0.900 peak   565 spectrum    1 weight  0.10000E+01 volume  0.19015E-02 ppm1      9.296 ppm2      7.306 CV     1
 ASSI {  566}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 14   and name HA1 ))
      3.000     1.100     1.100 peak   566 spectrum    1 weight  0.10000E+01 volume  0.18923E-02 ppm1      9.184 ppm2      3.743 CV     1
 ASSI {  567}
   (( segid " 1SG" and resid 77   and name HN  ))
   (( segid " 1SG" and resid 77   and name HA  ))
      2.800     1.000     1.000 peak   567 spectrum    1 weight  0.10000E+01 volume  0.18921E-02 ppm1      8.715 ppm2      4.655 CV     1
 ASSI {  570}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 87   and name HA  ))
      3.100     1.200     1.200 peak   570 spectrum    1 weight  0.10000E+01 volume  0.18628E-02 ppm1      8.211 ppm2      4.972 CV     1
 ASSI {  571}
   (( segid " 1SG" and resid 30   and name HN  ))
   (( segid " 1SG" and resid 30   and name HA2 ))
      3.200     1.300     1.300 peak   571 spectrum    1 weight  0.10000E+01 volume  0.18607E-02 ppm1      8.590 ppm2      4.673 CV     1
 ASSI {  573}
   (( segid " 1SG" and resid 108  and name HN  ))
   (  segid " 1SG" and resid 18   and name HG2%)
      3.400     1.500     1.500 peak   573 spectrum    1 weight  0.10000E+01 volume  0.18373E-02 ppm1      8.565 ppm2      0.943 CV     1
 ASSI {  574}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 13   and name HB2 ))
      2.300     0.700     0.700 peak   574 spectrum    1 weight  0.10000E+01 volume  0.18357E-02 ppm1      9.184 ppm2      2.684 CV     1
 ASSI {  575}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 75   and name HB2 ))
      3.100     1.200     1.200 peak   575 spectrum    1 weight  0.10000E+01 volume  0.18352E-02 ppm1      8.941 ppm2      2.888 CV     1
 OR {  575}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 75   and name HB1 ))
 ASSI {  576}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 77   and name HA  ))
      2.800     1.000     1.000 peak   576 spectrum    1 weight  0.10000E+01 volume  0.18256E-02 ppm1      8.887 ppm2      4.655 CV     1
 ASSI {  578}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 40   and name HA  ))
      2.900     1.100     1.100 peak   578 spectrum    1 weight  0.10000E+01 volume  0.18250E-02 ppm1      8.696 ppm2      4.547 CV     1
 ASSI {  579}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 65   and name HA  ))
      3.300     1.300     1.300 peak   579 spectrum    1 weight  0.10000E+01 volume  0.18230E-02 ppm1      8.106 ppm2      3.452 CV     1
 ASSI {  581}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 84   and name HA  ))
      2.900     1.100     1.100 peak   581 spectrum    1 weight  0.10000E+01 volume  0.18046E-02 ppm1      8.151 ppm2      4.228 CV     1
 ASSI {  582}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 56   and name HN  ))
      2.900     1.100     1.100 peak   582 spectrum    1 weight  0.10000E+01 volume  0.18044E-02 ppm1      7.199 ppm2      8.391 CV     1
 ASSI {  584}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 96   and name HG1 ))
      4.000     2.000     2.000 peak   584 spectrum    1 weight  0.10000E+01 volume  0.18030E-02 ppm1      8.062 ppm2      1.318 CV     1
 OR {  584}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 96   and name HG2 ))
 ASSI {  585}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HB1 ))
      3.100     1.200     1.200 peak   585 spectrum    1 weight  0.10000E+01 volume  0.18005E-02 ppm1      8.888 ppm2      1.573 CV     1
 OR {  585}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HB2 ))
 ASSI {  587}
   (( segid " 1SG" and resid 79   and name HN  ))
   (  segid " 1SG" and resid 76   and name HG2%)
      3.300     1.400     1.400 peak   587 spectrum    1 weight  0.10000E+01 volume  0.17933E-02 ppm1      8.974 ppm2      0.787 CV     1
 ASSI {  590}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 53   and name HA  ))
      3.700     1.700     1.700 peak   590 spectrum    1 weight  0.10000E+01 volume  0.17703E-02 ppm1      7.198 ppm2      4.042 CV     1
 ASSI {  592}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 94   and name HA  ))
      3.100     1.200     1.200 peak   592 spectrum    1 weight  0.10000E+01 volume  0.17673E-02 ppm1      7.971 ppm2      4.045 CV     1
 ASSI {  593}
   (( segid " 1SG" and resid 63   and name HN  ))
   (( segid " 1SG" and resid 63   and name HB2 ))
      3.700     1.700     1.700 peak   593 spectrum    1 weight  0.10000E+01 volume  0.17663E-02 ppm1      8.518 ppm2      2.529 CV     1
 ASSI {  595}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 76   and name HB  ))
      3.400     1.400     1.400 peak   595 spectrum    1 weight  0.10000E+01 volume  0.17544E-02 ppm1      8.888 ppm2      1.901 CV     1
 ASSI {  596}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 104  and name HA  ))
      2.900     1.000     1.000 peak   596 spectrum    1 weight  0.10000E+01 volume  0.17524E-02 ppm1      9.184 ppm2      5.418 CV     1
 ASSI {  597}
   (( segid " 1SG" and resid 18   and name HN  ))
   (( segid " 1SG" and resid 108  and name HA  ))
      3.300     1.300     1.300 peak   597 spectrum    1 weight  0.10000E+01 volume  0.17524E-02 ppm1      8.006 ppm2      4.146 CV     1
 ASSI {  599}
   (( segid " 1SG" and resid 80   and name HN  ))
   (( segid " 1SG" and resid 79   and name HA  ))
      2.900     1.100     1.100 peak   599 spectrum    1 weight  0.10000E+01 volume  0.17380E-02 ppm1      5.579 ppm2      3.659 CV     1
 ASSI {  601}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      4.000     2.000     2.000 peak   601 spectrum    1 weight  0.10000E+01 volume  0.17263E-02 ppm1      9.018 ppm2      1.461 CV     1
 ASSI {  603}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 38   and name HN  ))
      2.900     1.100     1.100 peak   603 spectrum    1 weight  0.10000E+01 volume  0.17174E-02 ppm1      8.735 ppm2      8.378 CV     1
 ASSI {  604}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 46   and name HN  ))
      2.600     0.800     0.800 peak   604 spectrum    1 weight  0.10000E+01 volume  0.17157E-02 ppm1      7.293 ppm2      8.221 CV     1
 ASSI {  608}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 78   and name HB2 ))
      3.200     1.300     1.300 peak   608 spectrum    1 weight  0.10000E+01 volume  0.17002E-02 ppm1      8.054 ppm2      2.374 CV     1
 ASSI {  611}
   (( segid " 1SG" and resid 23   and name HN  ))
   (  segid " 1SG" and resid 23   and name HG2%)
      3.900     1.900     1.900 peak   611 spectrum    1 weight  0.10000E+01 volume  0.16920E-02 ppm1      7.914 ppm2      0.771 CV     1
 ASSI {  612}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 28   and name HB  ))
      3.100     1.200     1.200 peak   612 spectrum    1 weight  0.10000E+01 volume  0.16845E-02 ppm1      9.674 ppm2      1.955 CV     1
 ASSI {  613}
   (( segid " 1SG" and resid 107  and name HN  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      3.500     1.500     1.500 peak   613 spectrum    1 weight  0.10000E+01 volume  0.16824E-02 ppm1      8.823 ppm2      0.606 CV     1
 ASSI {  614}
   (( segid " 1SG" and resid 17   and name HN  ))
   (( segid " 1SG" and resid 18   and name HN  ))
      3.800     1.800     1.800 peak   614 spectrum    1 weight  0.10000E+01 volume  0.16766E-02 ppm1      7.899 ppm2      7.995 CV     1
 ASSI {  619}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 2    and name HB2 ))
      4.300     2.300     1.700 peak   619 spectrum    1 weight  0.10000E+01 volume  0.16366E-02 ppm1      7.971 ppm2      2.674 CV     1
 ASSI {  620}
   (( segid " 1SG" and resid 107  and name HN  ))
   (  segid " 1SG" and resid 106  and name HG1%)
      3.900     1.900     1.900 peak   620 spectrum    1 weight  0.10000E+01 volume  0.16340E-02 ppm1      8.823 ppm2      0.675 CV     1
 ASSI {  622}
   (( segid " 1SG" and resid 61   and name HN  ))
   (( segid " 1SG" and resid 61   and name HB2 ))
      3.400     1.400     1.400 peak   622 spectrum    1 weight  0.10000E+01 volume  0.16232E-02 ppm1      8.177 ppm2      2.298 CV     1
 ASSI {  623}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 58   and name HG2 ))
      3.300     1.400     1.400 peak   623 spectrum    1 weight  0.10000E+01 volume  0.16226E-02 ppm1      8.941 ppm2      1.805 CV     1
 ASSI {  626}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 92   and name HA  ))
      3.100     1.200     1.200 peak   626 spectrum    1 weight  0.10000E+01 volume  0.16189E-02 ppm1      8.735 ppm2      5.242 CV     1
 ASSI {  627}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 68   and name HN  ))
      3.800     1.800     1.800 peak   627 spectrum    1 weight  0.10000E+01 volume  0.16187E-02 ppm1      8.106 ppm2      7.877 CV     1
 ASSI {  630}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 16   and name HB  ))
      3.600     1.600     1.600 peak   630 spectrum    1 weight  0.10000E+01 volume  0.16025E-02 ppm1      8.594 ppm2      1.795 CV     1
 ASSI {  631}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 97   and name HA  ))
      3.100     1.200     1.200 peak   631 spectrum    1 weight  0.10000E+01 volume  0.16025E-02 ppm1      8.062 ppm2      5.253 CV     1
 ASSI {  632}
   (( segid " 1SG" and resid 58   and name HE22))
   (( segid " 1SG" and resid 76   and name HG12))
      4.000     2.000     2.000 peak   632 spectrum    1 weight  0.10000E+01 volume  0.16010E-02 ppm1      6.684 ppm2      1.101 CV     1
 ASSI {  635}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB2 ))
      3.100     1.200     1.200 peak   635 spectrum    1 weight  0.10000E+01 volume  0.15934E-02 ppm1      8.944 ppm2      2.395 CV     1
 OR {  635}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB1 ))
 ASSI {  636}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 25   and name HB2 ))
      3.300     1.300     1.300 peak   636 spectrum    1 weight  0.10000E+01 volume  0.15873E-02 ppm1      8.404 ppm2      3.599 CV     1
 ASSI {  637}
   (( segid " 1SG" and resid 7    and name HN  ))
   (  segid " 1SG" and resid 7    and name HD% )
      3.900     1.900     1.900 peak   637 spectrum    1 weight  0.10000E+01 volume  0.15827E-02 ppm1      8.878 ppm2      7.307 CV     1
 ASSI {  639}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 107  and name HD2 ))
      3.300     1.400     1.400 peak   639 spectrum    1 weight  0.10000E+01 volume  0.15774E-02 ppm1      8.593 ppm2      6.922 CV     1
 ASSI {  642}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 35   and name HD1 ))
      3.400     1.400     1.400 peak   642 spectrum    1 weight  0.10000E+01 volume  0.15679E-02 ppm1      8.373 ppm2      1.622 CV     1
 OR {  642}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 35   and name HD2 ))
 ASSI {  643}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 75   and name HN  ))
      2.900     1.100     1.100 peak   643 spectrum    1 weight  0.10000E+01 volume  0.15666E-02 ppm1      8.939 ppm2      9.154 CV     1
 ASSI {  644}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 19   and name HN  ))
      3.200     1.300     1.300 peak   644 spectrum    1 weight  0.10000E+01 volume  0.15494E-02 ppm1      8.973 ppm2      9.828 CV     1
 ASSI {  645}
   (( segid " 1SG" and resid 59   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD2%)
      3.800     1.800     1.800 peak   645 spectrum    1 weight  0.10000E+01 volume  0.15462E-02 ppm1      8.381 ppm2      0.692 CV     1
 ASSI {  646}
   (( segid " 1SG" and resid 5    and name HN  ))
   (( segid " 1SG" and resid 4    and name HA  ))
      3.300     1.400     1.400 peak   646 spectrum    1 weight  0.10000E+01 volume  0.15430E-02 ppm1      8.144 ppm2      4.009 CV     1
 ASSI {  647}
   (( segid " 1SG" and resid 77   and name HN  ))
   (( segid " 1SG" and resid 57   and name HA  ))
      4.000     2.000     2.000 peak   647 spectrum    1 weight  0.10000E+01 volume  0.15418E-02 ppm1      8.715 ppm2      5.396 CV     1
 ASSI {  649}
   (( segid " 1SG" and resid 80   and name HE22))
   (( segid " 1SG" and resid 80   and name HB1 ))
      3.900     1.900     1.900 peak   649 spectrum    1 weight  0.10000E+01 volume  0.15356E-02 ppm1      6.645 ppm2      1.953 CV     1
 OR {  649}
   (( segid " 1SG" and resid 80   and name HE22))
   (( segid " 1SG" and resid 80   and name HB2 ))
 ASSI {  651}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 94   and name HB2 ))
      2.800     1.000     1.000 peak   651 spectrum    1 weight  0.10000E+01 volume  0.15243E-02 ppm1      7.971 ppm2      1.782 CV     1
 ASSI {  652}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 11   and name HA  ))
      3.400     1.500     1.500 peak   652 spectrum    1 weight  0.10000E+01 volume  0.15179E-02 ppm1      8.398 ppm2      4.795 CV     1
 ASSI {  653}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 64   and name HB2 ))
      3.100     1.200     1.200 peak   653 spectrum    1 weight  0.10000E+01 volume  0.15139E-02 ppm1      6.898 ppm2      2.337 CV     1
 ASSI {  654}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 59   and name HG  ))
      3.900     1.900     1.900 peak   654 spectrum    1 weight  0.10000E+01 volume  0.15120E-02 ppm1      8.699 ppm2      1.425 CV     1
 ASSI {  656}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 68   and name HA  ))
      4.600     2.700     1.400 peak   656 spectrum    1 weight  0.10000E+01 volume  0.15080E-02 ppm1      7.420 ppm2      3.594 CV     1
 ASSI {  658}
   (( segid " 1SG" and resid 26   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD1%)
      3.100     1.200     1.200 peak   658 spectrum    1 weight  0.10000E+01 volume  0.15069E-02 ppm1      9.497 ppm2      0.841 CV     1
 ASSI {  659}
   (( segid " 1SG" and resid 103  and name HD22))
   (( segid " 1SG" and resid 103  and name HB2 ))
      4.200     2.200     1.800 peak   659 spectrum    1 weight  0.10000E+01 volume  0.15046E-02 ppm1      6.747 ppm2      2.501 CV     1
 ASSI {  660}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 24   and name HB2 ))
      3.600     1.600     1.600 peak   660 spectrum    1 weight  0.10000E+01 volume  0.15038E-02 ppm1      8.399 ppm2      2.394 CV     1
 ASSI {  661}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 45   and name HD2 ))
      3.600     1.600     1.600 peak   661 spectrum    1 weight  0.10000E+01 volume  0.15007E-02 ppm1     10.113 ppm2      1.215 CV     1
 OR {  661}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 45   and name HD1 ))
 ASSI {  662}
   (( segid " 1SG" and resid 34   and name HN  ))
   (( segid " 1SG" and resid 93   and name HA  ))
      4.000     2.000     2.000 peak   662 spectrum    1 weight  0.10000E+01 volume  0.14962E-02 ppm1      8.673 ppm2      4.763 CV     1
 ASSI {  663}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 73   and name HN  ))
      3.100     1.200     1.200 peak   663 spectrum    1 weight  0.10000E+01 volume  0.14936E-02 ppm1      8.686 ppm2      9.449 CV     1
 ASSI {  664}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 61   and name HA  ))
      3.700     1.700     1.700 peak   664 spectrum    1 weight  0.10000E+01 volume  0.14929E-02 ppm1      9.450 ppm2      5.557 CV     1
 ASSI {  665}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 24   and name HA  ))
      3.100     1.200     1.200 peak   665 spectrum    1 weight  0.10000E+01 volume  0.14928E-02 ppm1      9.240 ppm2      4.615 CV     1
 ASSI {  666}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 27   and name HB2 ))
      3.300     1.400     1.400 peak   666 spectrum    1 weight  0.10000E+01 volume  0.14804E-02 ppm1      9.672 ppm2      1.578 CV     1
 OR {  666}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 27   and name HB1 ))
 ASSI {  667}
   (( segid " 1SG" and resid 104  and name HN  ))
   (  segid " 1SG" and resid 87   and name HD% )
      3.300     1.300     1.300 peak   667 spectrum    1 weight  0.10000E+01 volume  0.14791E-02 ppm1      8.792 ppm2      6.806 CV     1
 ASSI {  668}
   (( segid " 1SG" and resid 26   and name HN  ))
   (( segid " 1SG" and resid 25   and name HB2 ))
      3.700     1.700     1.700 peak   668 spectrum    1 weight  0.10000E+01 volume  0.14746E-02 ppm1      9.497 ppm2      3.598 CV     1
 ASSI {  669}
   (( segid " 1SG" and resid 58   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
      3.400     1.400     1.400 peak   669 spectrum    1 weight  0.10000E+01 volume  0.14743E-02 ppm1      8.941 ppm2      0.604 CV     1
 OR {  669}
   (( segid " 1SG" and resid 58   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI {  670}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 3    and name HD1 ))
      4.100     2.100     1.900 peak   670 spectrum    1 weight  0.10000E+01 volume  0.14661E-02 ppm1      8.118 ppm2      3.845 CV     1
 OR {  670}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 3    and name HD2 ))
 ASSI {  672}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 93   and name HA  ))
      3.500     1.500     1.500 peak   672 spectrum    1 weight  0.10000E+01 volume  0.14622E-02 ppm1      8.375 ppm2      4.772 CV     1
 ASSI {  673}
   (( segid " 1SG" and resid 25   and name HN  ))
   (  segid " 1SG" and resid 24   and name HD% )
      4.000     2.000     2.000 peak   673 spectrum    1 weight  0.10000E+01 volume  0.14604E-02 ppm1      8.400 ppm2      6.932 CV     1
 ASSI {  676}
   (( segid " 1SG" and resid 68   and name HN  ))
   (( segid " 1SG" and resid 67   and name HA  ))
      3.500     1.500     1.500 peak   676 spectrum    1 weight  0.10000E+01 volume  0.14537E-02 ppm1      7.874 ppm2      4.297 CV     1
 ASSI {  678}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 107  and name HD2 ))
      3.200     1.300     1.300 peak   678 spectrum    1 weight  0.10000E+01 volume  0.14514E-02 ppm1      8.821 ppm2      6.922 CV     1
 ASSI {  679}
   (( segid " 1SG" and resid 8    and name HN  ))
   (( segid " 1SG" and resid 8    and name HB  ))
      3.200     1.300     1.300 peak   679 spectrum    1 weight  0.10000E+01 volume  0.14480E-02 ppm1      9.052 ppm2      1.821 CV     1
 ASSI {  680}
   (( segid " 1SG" and resid 77   and name HN  ))
   (( segid " 1SG" and resid 77   and name HB  ))
      3.600     1.700     1.700 peak   680 spectrum    1 weight  0.10000E+01 volume  0.14470E-02 ppm1      8.717 ppm2      4.008 CV     1
 ASSI {  681}
   (( segid " 1SG" and resid 23   and name HN  ))
   (( segid " 1SG" and resid 23   and name HA  ))
      3.000     1.200     1.200 peak   681 spectrum    1 weight  0.10000E+01 volume  0.14448E-02 ppm1      7.913 ppm2      5.100 CV     1
 ASSI {  682}
   (( segid " 1SG" and resid 100  and name HN  ))
   (( segid " 1SG" and resid 90   and name HA  ))
      3.700     1.800     1.800 peak   682 spectrum    1 weight  0.10000E+01 volume  0.14435E-02 ppm1      8.897 ppm2      4.788 CV     1
 ASSI {  683}
   (( segid " 1SG" and resid 76   and name HN  ))
   (( segid " 1SG" and resid 75   and name HB1 ))
      4.000     2.000     2.000 peak   683 spectrum    1 weight  0.10000E+01 volume  0.14416E-02 ppm1      8.925 ppm2      2.891 CV     1
 OR {  683}
   (( segid " 1SG" and resid 76   and name HN  ))
   (( segid " 1SG" and resid 75   and name HB2 ))
 ASSI {  684}
   (( segid " 1SG" and resid 102  and name HN  ))
   (( segid " 1SG" and resid 102  and name HA  ))
      3.200     1.300     1.300 peak   684 spectrum    1 weight  0.10000E+01 volume  0.14404E-02 ppm1      8.557 ppm2      4.989 CV     1
 ASSI {  686}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 49   and name HB2 ))
      3.900     1.900     1.900 peak   686 spectrum    1 weight  0.10000E+01 volume  0.14386E-02 ppm1      7.786 ppm2      1.548 CV     1
 ASSI {  690}
   (( segid " 1SG" and resid 64   and name HN  ))
   (( segid " 1SG" and resid 69   and name HN  ))
      3.200     1.300     1.300 peak   690 spectrum    1 weight  0.10000E+01 volume  0.14273E-02 ppm1      7.751 ppm2      6.898 CV     1
 ASSI {  691}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 33   and name HA  ))
      4.000     2.000     2.000 peak   691 spectrum    1 weight  0.10000E+01 volume  0.14265E-02 ppm1      7.509 ppm2      4.450 CV     1
 ASSI {  694}
   (( segid " 1SG" and resid 74   and name HN  ))
   (  segid " 1SG" and resid 23   and name HG2%)
      3.400     1.500     1.500 peak   694 spectrum    1 weight  0.10000E+01 volume  0.14204E-02 ppm1      8.470 ppm2      0.765 CV     1
 ASSI {  696}
   (( segid " 1SG" and resid 68   and name HN  ))
   (( segid " 1SG" and resid 65   and name HA  ))
      3.000     1.100     1.100 peak   696 spectrum    1 weight  0.10000E+01 volume  0.14139E-02 ppm1      7.878 ppm2      3.451 CV     1
 ASSI {  698}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 45   and name HB2 ))
      3.400     1.400     1.400 peak   698 spectrum    1 weight  0.10000E+01 volume  0.14052E-02 ppm1     10.115 ppm2      0.595 CV     1
 ASSI {  699}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 38   and name HB  ))
      3.900     1.900     1.900 peak   699 spectrum    1 weight  0.10000E+01 volume  0.14017E-02 ppm1      7.893 ppm2      1.891 CV     1
 ASSI {  700}
   (( segid " 1SG" and resid 26   and name HN  ))
   (( segid " 1SG" and resid 26   and name HA  ))
      3.100     1.200     1.200 peak   700 spectrum    1 weight  0.10000E+01 volume  0.13985E-02 ppm1      9.494 ppm2      4.916 CV     1
 ASSI {  701}
   (( segid " 1SG" and resid 106  and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      4.200     2.200     1.800 peak   701 spectrum    1 weight  0.10000E+01 volume  0.13980E-02 ppm1      8.148 ppm2      0.372 CV     1
 ASSI {  702}
   (( segid " 1SG" and resid 50   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD1%)
      3.700     1.700     1.700 peak   702 spectrum    1 weight  0.10000E+01 volume  0.13978E-02 ppm1      8.941 ppm2      0.855 CV     1
 ASSI {  703}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 21   and name HA  ))
      2.800     1.000     1.000 peak   703 spectrum    1 weight  0.10000E+01 volume  0.13977E-02 ppm1      8.053 ppm2      5.494 CV     1
 ASSI {  704}
   (( segid " 1SG" and resid 38   and name HN  ))
   (  segid " 1SG" and resid 93   and name HG2%)
      4.300     2.300     1.700 peak   704 spectrum    1 weight  0.10000E+01 volume  0.13955E-02 ppm1      8.372 ppm2      1.022 CV     1
 ASSI {  706}
   (( segid " 1SG" and resid 87   and name HN  ))
   (( segid " 1SG" and resid 103  and name HA  ))
      3.300     1.400     1.400 peak   706 spectrum    1 weight  0.10000E+01 volume  0.13935E-02 ppm1      9.115 ppm2      5.535 CV     1
 ASSI {  707}
   (( segid " 1SG" and resid 33   and name HN  ))
   (( segid " 1SG" and resid 33   and name HB2 ))
      3.600     1.600     1.600 peak   707 spectrum    1 weight  0.10000E+01 volume  0.13909E-02 ppm1      7.611 ppm2      1.718 CV     1
 ASSI {  708}
   (( segid " 1SG" and resid 71   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD2%)
      4.400     2.500     1.600 peak   708 spectrum    1 weight  0.10000E+01 volume  0.13892E-02 ppm1      8.723 ppm2      0.733 CV     1
 ASSI {  709}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 27   and name HB1 ))
      3.200     1.300     1.300 peak   709 spectrum    1 weight  0.10000E+01 volume  0.13884E-02 ppm1      7.888 ppm2      1.570 CV     1
 OR {  709}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 27   and name HB2 ))
 ASSI {  710}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 72   and name HA  ))
      3.700     1.700     1.700 peak   710 spectrum    1 weight  0.10000E+01 volume  0.13851E-02 ppm1      8.849 ppm2      5.367 CV     1
 ASSI {  711}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 24   and name HB2 ))
      3.100     1.200     1.200 peak   711 spectrum    1 weight  0.10000E+01 volume  0.13835E-02 ppm1      9.240 ppm2      2.394 CV     1
 ASSI {  712}
   (( segid " 1SG" and resid 19   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.900     2.000     2.000 peak   712 spectrum    1 weight  0.10000E+01 volume  0.13814E-02 ppm1      9.827 ppm2      0.372 CV     1
 ASSI {  713}
   (( segid " 1SG" and resid 72   and name HN  ))
   (( segid " 1SG" and resid 72   and name HB2 ))
      2.700     0.900     0.900 peak   713 spectrum    1 weight  0.10000E+01 volume  0.13801E-02 ppm1      9.295 ppm2      2.892 CV     1
 ASSI {  715}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 49   and name HA  ))
      3.300     1.400     1.400 peak   715 spectrum    1 weight  0.10000E+01 volume  0.13795E-02 ppm1      8.940 ppm2      3.867 CV     1
 ASSI {  716}
   (( segid " 1SG" and resid 42   and name HN  ))
   (  segid " 1SG" and resid 42   and name HD% )
      4.200     2.200     1.800 peak   716 spectrum    1 weight  0.10000E+01 volume  0.13791E-02 ppm1      9.448 ppm2      6.695 CV     1
 ASSI {  718}
   (( segid " 1SG" and resid 85   and name HN  ))
   (( segid " 1SG" and resid 104  and name HN  ))
      3.300     1.300     1.300 peak   718 spectrum    1 weight  0.10000E+01 volume  0.13755E-02 ppm1      9.408 ppm2      8.792 CV     1
 ASSI {  720}
   (( segid " 1SG" and resid 54   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
      3.700     1.700     1.700 peak   720 spectrum    1 weight  0.10000E+01 volume  0.13667E-02 ppm1      9.023 ppm2      0.598 CV     1
 OR {  720}
   (( segid " 1SG" and resid 54   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI {  725}
   (( segid " 1SG" and resid 74   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD2%)
      3.200     1.300     1.300 peak   725 spectrum    1 weight  0.10000E+01 volume  0.13625E-02 ppm1      8.471 ppm2      0.409 CV     1
 OR {  725}
   (( segid " 1SG" and resid 74   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI {  728}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (  segid " 1SG" and resid 72   and name HD% )
      3.100     1.200     1.200 peak   728 spectrum    1 weight  0.10000E+01 volume  0.13492E-02 ppm1     10.780 ppm2      7.306 CV     1
 ASSI {  729}
   (( segid " 1SG" and resid 44   and name HN  ))
   (  segid " 1SG" and resid 47   and name HG1%)
      4.400     2.400     1.600 peak   729 spectrum    1 weight  0.10000E+01 volume  0.13447E-02 ppm1      8.212 ppm2      0.992 CV     1
 ASSI {  730}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 107  and name HN  ))
      3.800     1.800     1.800 peak   730 spectrum    1 weight  0.10000E+01 volume  0.13408E-02 ppm1      8.563 ppm2      8.822 CV     1
 ASSI {  732}
   (( segid " 1SG" and resid 6    and name HN  ))
   (( segid " 1SG" and resid 7    and name HN  ))
      3.000     1.200     1.200 peak   732 spectrum    1 weight  0.10000E+01 volume  0.13383E-02 ppm1      8.450 ppm2      8.878 CV     1
 ASSI {  733}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 103  and name HB2 ))
      3.800     1.800     1.800 peak   733 spectrum    1 weight  0.10000E+01 volume  0.13372E-02 ppm1      8.794 ppm2      2.502 CV     1
 ASSI {  734}
   (( segid " 1SG" and resid 49   and name HN  ))
   (  segid " 1SG" and resid 49   and name HD2%)
      4.200     2.200     1.800 peak   734 spectrum    1 weight  0.10000E+01 volume  0.13286E-02 ppm1      9.288 ppm2      1.014 CV     1
 ASSI {  735}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (( segid " 1SG" and resid 72   and name HB2 ))
      3.300     1.300     1.300 peak   735 spectrum    1 weight  0.10000E+01 volume  0.13279E-02 ppm1     10.779 ppm2      2.895 CV     1
 ASSI {  737}
   (( segid " 1SG" and resid 63   and name HN  ))
   (  segid " 1SG" and resid 63   and name HD% )
      3.900     1.900     1.900 peak   737 spectrum    1 weight  0.10000E+01 volume  0.13205E-02 ppm1      8.518 ppm2      5.900 CV     1
 ASSI {  742}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 15   and name HG2 ))
      4.300     2.300     1.700 peak   742 spectrum    1 weight  0.10000E+01 volume  0.13099E-02 ppm1      8.593 ppm2      2.271 CV     1
 OR {  742}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 15   and name HG1 ))
 ASSI {  745}
   (( segid " 1SG" and resid 53   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
      3.400     1.500     1.500 peak   745 spectrum    1 weight  0.10000E+01 volume  0.12972E-02 ppm1      6.764 ppm2      0.597 CV     1
 OR {  745}
   (( segid " 1SG" and resid 53   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI {  746}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 3    and name HB2 ))
      4.100     2.100     1.900 peak   746 spectrum    1 weight  0.10000E+01 volume  0.12965E-02 ppm1      8.263 ppm2      2.285 CV     1
 OR {  746}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 3    and name HB1 ))
 ASSI {  747}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 49   and name HA  ))
      3.100     1.200     1.200 peak   747 spectrum    1 weight  0.10000E+01 volume  0.12956E-02 ppm1      7.785 ppm2      3.862 CV     1
 ASSI {  748}
   (( segid " 1SG" and resid 73   and name HN  ))
   (  segid " 1SG" and resid 72   and name HD% )
      2.600     2.600     3.400 peak   748 spectrum    1 weight  0.10000E+01 volume  0.12955E-02 ppm1      9.449 ppm2      7.306 CV     1
 ASSI {  751}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 18   and name HN  ))
      3.500     1.500     1.500 peak   751 spectrum    1 weight  0.10000E+01 volume  0.12910E-02 ppm1      8.821 ppm2      8.005 CV     1
 ASSI {  753}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 25   and name HA  ))
      3.100     1.200     1.200 peak   753 spectrum    1 weight  0.10000E+01 volume  0.12864E-02 ppm1      8.399 ppm2      5.688 CV     1
 ASSI {  754}
   (( segid " 1SG" and resid 31   and name HN  ))
   (( segid " 1SG" and resid 31   and name HA  ))
      3.000     1.100     1.100 peak   754 spectrum    1 weight  0.10000E+01 volume  0.12859E-02 ppm1      8.418 ppm2      4.164 CV     1
 ASSI {  755}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 22   and name HB  ))
      3.200     1.300     1.300 peak   755 spectrum    1 weight  0.10000E+01 volume  0.12848E-02 ppm1      8.887 ppm2      1.514 CV     1
 ASSI {  758}
   (( segid " 1SG" and resid 57   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
      3.900     1.900     1.900 peak   758 spectrum    1 weight  0.10000E+01 volume  0.12815E-02 ppm1      7.199 ppm2      0.601 CV     1
 OR {  758}
   (( segid " 1SG" and resid 57   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI {  759}
   (( segid " 1SG" and resid 83   and name HN  ))
   (  segid " 1SG" and resid 104  and name HD2%)
      4.100     2.100     1.900 peak   759 spectrum    1 weight  0.10000E+01 volume  0.12783E-02 ppm1      8.256 ppm2      0.808 CV     1
 ASSI {  760}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 9    and name HB2 ))
      3.800     1.800     1.800 peak   760 spectrum    1 weight  0.10000E+01 volume  0.12750E-02 ppm1      8.888 ppm2      1.892 CV     1
 ASSI {  762}
   (( segid " 1SG" and resid 68   and name HN  ))
   (  segid " 1SG" and resid 66   and name HB% )
      2.600     2.600     3.400 peak   762 spectrum    1 weight  0.10000E+01 volume  0.12666E-02 ppm1      7.875 ppm2      1.403 CV     1
 ASSI {  764}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 74   and name HB2 ))
      2.800     1.000     1.000 peak   764 spectrum    1 weight  0.10000E+01 volume  0.12629E-02 ppm1      8.470 ppm2     -0.840 CV     1
 ASSI {  765}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 8    and name HA  ))
      3.600     1.600     1.600 peak   765 spectrum    1 weight  0.10000E+01 volume  0.12628E-02 ppm1      7.888 ppm2      4.174 CV     1
 ASSI {  767}
   (( segid " 1SG" and resid 91   and name HN  ))
   (( segid " 1SG" and resid 91   and name HB  ))
      3.200     1.300     1.300 peak   767 spectrum    1 weight  0.10000E+01 volume  0.12558E-02 ppm1      8.474 ppm2      1.131 CV     1
 ASSI {  770}
   (( segid " 1SG" and resid 102  and name HN  ))
   (( segid " 1SG" and resid 88   and name HA  ))
      3.500     1.600     1.600 peak   770 spectrum    1 weight  0.10000E+01 volume  0.12474E-02 ppm1      8.557 ppm2      5.305 CV     1
 ASSI {  771}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 57   and name HG  ))
      4.200     2.200     1.800 peak   771 spectrum    1 weight  0.10000E+01 volume  0.12468E-02 ppm1      7.198 ppm2      0.750 CV     1
 ASSI {  772}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 73   and name HA  ))
      3.100     1.200     1.200 peak   772 spectrum    1 weight  0.10000E+01 volume  0.12465E-02 ppm1      9.448 ppm2      5.466 CV     1
 ASSI {  773}
   (( segid " 1SG" and resid 6    and name HN  ))
   (( segid " 1SG" and resid 6    and name HA  ))
      3.000     1.100     1.100 peak   773 spectrum    1 weight  0.10000E+01 volume  0.12450E-02 ppm1      8.450 ppm2      4.448 CV     1
 ASSI {  774}
   (( segid " 1SG" and resid 12   and name HE21))
   (( segid " 1SG" and resid 12   and name HA  ))
      3.000     1.100     1.100 peak   774 spectrum    1 weight  0.10000E+01 volume  0.12449E-02 ppm1      7.451 ppm2      4.687 CV     1
 ASSI {  775}
   (( segid " 1SG" and resid 10   and name HN  ))
   (( segid " 1SG" and resid 10   and name HB2 ))
      3.500     1.500     1.500 peak   775 spectrum    1 weight  0.10000E+01 volume  0.12432E-02 ppm1      8.853 ppm2      1.250 CV     1
 ASSI {  776}
   (( segid " 1SG" and resid 102  and name HN  ))
   (( segid " 1SG" and resid 87   and name HN  ))
      3.100     1.200     1.200 peak   776 spectrum    1 weight  0.10000E+01 volume  0.12416E-02 ppm1      8.557 ppm2      9.117 CV     1
 ASSI {  777}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 94   and name HG2 ))
      3.300     1.400     1.400 peak   777 spectrum    1 weight  0.10000E+01 volume  0.12402E-02 ppm1      7.971 ppm2      1.402 CV     1
 OR {  777}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 94   and name HG1 ))
 ASSI {  778}
   (( segid " 1SG" and resid 75   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
      3.600     1.600     1.600 peak   778 spectrum    1 weight  0.10000E+01 volume  0.12383E-02 ppm1      9.152 ppm2      0.609 CV     1
 OR {  778}
   (( segid " 1SG" and resid 75   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI {  779}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 49   and name HA  ))
      3.000     1.200     1.200 peak   779 spectrum    1 weight  0.10000E+01 volume  0.12359E-02 ppm1      9.288 ppm2      3.859 CV     1
 ASSI {  783}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 56   and name HB2 ))
      3.700     1.700     1.700 peak   783 spectrum    1 weight  0.10000E+01 volume  0.12332E-02 ppm1      7.198 ppm2      3.101 CV     1
 ASSI {  790}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 104  and name HA  ))
      3.200     1.200     1.200 peak   790 spectrum    1 weight  0.10000E+01 volume  0.12200E-02 ppm1      8.792 ppm2      5.431 CV     1
 ASSI {  791}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 53   and name HN  ))
      3.800     1.800     1.800 peak   791 spectrum    1 weight  0.10000E+01 volume  0.12190E-02 ppm1      9.018 ppm2      6.764 CV     1
 ASSI {  792}
   (( segid " 1SG" and resid 104  and name HN  ))
   (  segid " 1SG" and resid 87   and name HE% )
      3.800     1.800     1.800 peak   792 spectrum    1 weight  0.10000E+01 volume  0.12178E-02 ppm1      8.791 ppm2      6.590 CV     1
 ASSI {  794}
   (( segid " 1SG" and resid 84   and name HN  ))
   (( segid " 1SG" and resid 85   and name HN  ))
      3.400     1.500     1.500 peak   794 spectrum    1 weight  0.10000E+01 volume  0.12149E-02 ppm1      7.865 ppm2      9.407 CV     1
 ASSI {  799}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (  segid " 1SG" and resid 39   and name HG2%)
      3.800     1.800     1.800 peak   799 spectrum    1 weight  0.10000E+01 volume  0.12034E-02 ppm1     10.779 ppm2     -0.462 CV     1
 ASSI {  802}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 103  and name HA  ))
      3.100     1.200     1.200 peak   802 spectrum    1 weight  0.10000E+01 volume  0.11965E-02 ppm1      9.242 ppm2      5.536 CV     1
 ASSI {  803}
   (( segid " 1SG" and resid 8    and name HN  ))
   (( segid " 1SG" and resid 8    and name HA  ))
      3.300     1.400     1.400 peak   803 spectrum    1 weight  0.10000E+01 volume  0.11903E-02 ppm1      9.052 ppm2      4.174 CV     1
 ASSI {  807}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 57   and name HG  ))
      4.000     2.000     2.000 peak   807 spectrum    1 weight  0.10000E+01 volume  0.11800E-02 ppm1      8.941 ppm2      0.750 CV     1
 ASSI {  808}
   (( segid " 1SG" and resid 80   and name HE22))
   (  segid " 1SG" and resid 18   and name HG1%)
      5.300     3.500     0.700 peak   808 spectrum    1 weight  0.10000E+01 volume  0.11794E-02 ppm1      6.644 ppm2      0.986 CV     1
 ASSI {  810}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 59   and name HA  ))
      3.800     1.800     1.800 peak   810 spectrum    1 weight  0.10000E+01 volume  0.11736E-02 ppm1      9.150 ppm2      5.181 CV     1
 ASSI {  811}
   (( segid " 1SG" and resid 93   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.200     1.300     1.300 peak   811 spectrum    1 weight  0.10000E+01 volume  0.11724E-02 ppm1      8.558 ppm2      0.475 CV     1
 ASSI {  812}
   (( segid " 1SG" and resid 19   and name HN  ))
   (( segid " 1SG" and resid 78   and name HA  ))
      3.200     1.300     1.300 peak   812 spectrum    1 weight  0.10000E+01 volume  0.11717E-02 ppm1      9.829 ppm2      4.106 CV     1
 ASSI {  813}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 38   and name HB  ))
      3.400     1.400     1.400 peak   813 spectrum    1 weight  0.10000E+01 volume  0.11702E-02 ppm1      8.735 ppm2      1.891 CV     1
 ASSI {  814}
   (( segid " 1SG" and resid 43   and name HN  ))
   (  segid " 1SG" and resid 49   and name HD1%)
      3.400     1.500     1.500 peak   814 spectrum    1 weight  0.10000E+01 volume  0.11700E-02 ppm1      8.631 ppm2      1.759 CV     1
 ASSI {  815}
   (( segid " 1SG" and resid 6    and name HN  ))
   (( segid " 1SG" and resid 5    and name HA1 ))
      3.300     1.400     1.400 peak   815 spectrum    1 weight  0.10000E+01 volume  0.11688E-02 ppm1      8.450 ppm2      3.861 CV     1
 OR {  815}
   (( segid " 1SG" and resid 6    and name HN  ))
   (( segid " 1SG" and resid 5    and name HA2 ))
 ASSI {  816}
   (( segid " 1SG" and resid 26   and name HN  ))
   (( segid " 1SG" and resid 72   and name HN  ))
      3.200     1.300     1.300 peak   816 spectrum    1 weight  0.10000E+01 volume  0.11671E-02 ppm1      9.497 ppm2      9.294 CV     1
 ASSI {  817}
   (( segid " 1SG" and resid 46   and name HN  ))
   (( segid " 1SG" and resid 45   and name HA  ))
      3.300     1.400     1.400 peak   817 spectrum    1 weight  0.10000E+01 volume  0.11669E-02 ppm1      8.215 ppm2      3.494 CV     1
 ASSI {  819}
   (( segid " 1SG" and resid 47   and name HN  ))
   (  segid " 1SG" and resid 42   and name HD% )
      3.600     1.600     1.600 peak   819 spectrum    1 weight  0.10000E+01 volume  0.11648E-02 ppm1      7.293 ppm2      6.695 CV     1
 ASSI {  820}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 49   and name HB2 ))
      2.800     1.000     1.000 peak   820 spectrum    1 weight  0.10000E+01 volume  0.11624E-02 ppm1      9.288 ppm2      1.557 CV     1
 ASSI {  821}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 76   and name HA  ))
      3.800     1.800     1.800 peak   821 spectrum    1 weight  0.10000E+01 volume  0.11558E-02 ppm1      8.940 ppm2      4.983 CV     1
 ASSI {  822}
   (( segid " 1SG" and resid 29   and name HN  ))
   (( segid " 1SG" and resid 7    and name HA  ))
      3.900     1.900     1.900 peak   822 spectrum    1 weight  0.10000E+01 volume  0.11540E-02 ppm1      8.855 ppm2      4.626 CV     1
 ASSI {  823}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 74   and name HN  ))
      3.300     1.400     1.400 peak   823 spectrum    1 weight  0.10000E+01 volume  0.11537E-02 ppm1      9.240 ppm2      8.469 CV     1
 ASSI {  825}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 40   and name HG1 ))
      4.600     2.700     1.400 peak   825 spectrum    1 weight  0.10000E+01 volume  0.11525E-02 ppm1      9.308 ppm2      1.241 CV     1
 OR {  825}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 40   and name HG2 ))
 ASSI {  826}
   (( segid " 1SG" and resid 64   and name HN  ))
   (  segid " 1SG" and resid 69   and name HG2%)
      4.000     2.000     2.000 peak   826 spectrum    1 weight  0.10000E+01 volume  0.11516E-02 ppm1      7.752 ppm2      0.845 CV     1
 OR {  826}
   (( segid " 1SG" and resid 64   and name HN  ))
   (  segid " 1SG" and resid 69   and name HG1%)
 ASSI {  827}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 9    and name HN  ))
      3.400     1.400     1.400 peak   827 spectrum    1 weight  0.10000E+01 volume  0.11505E-02 ppm1      8.888 ppm2      7.891 CV     1
 ASSI {  828}
   (( segid " 1SG" and resid 58   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD1%)
      4.200     2.200     1.800 peak   828 spectrum    1 weight  0.10000E+01 volume  0.11490E-02 ppm1      8.945 ppm2      0.402 CV     1
 OR {  828}
   (( segid " 1SG" and resid 58   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD2%)
 ASSI {  829}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 42   and name HA  ))
      3.300     1.400     1.400 peak   829 spectrum    1 weight  0.10000E+01 volume  0.11479E-02 ppm1      9.289 ppm2      5.784 CV     1
 ASSI {  830}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 78   and name HB2 ))
      4.200     2.200     1.800 peak   830 spectrum    1 weight  0.10000E+01 volume  0.11448E-02 ppm1      8.973 ppm2      2.375 CV     1
 ASSI {  831}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB1 ))
      4.400     2.400     1.600 peak   831 spectrum    1 weight  0.10000E+01 volume  0.11447E-02 ppm1      8.941 ppm2      1.687 CV     1
 OR {  831}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB2 ))
 ASSI {  832}
   (( segid " 1SG" and resid 70   and name HN  ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      3.100     1.200     1.200 peak   832 spectrum    1 weight  0.10000E+01 volume  0.11439E-02 ppm1      9.273 ppm2      2.816 CV     1
 ASSI {  833}
   (( segid " 1SG" and resid 87   and name HN  ))
   (( segid " 1SG" and resid 87   and name HB2 ))
      3.000     1.200     1.200 peak   833 spectrum    1 weight  0.10000E+01 volume  0.11410E-02 ppm1      9.112 ppm2      0.700 CV     1
 ASSI {  838}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 64   and name HB2 ))
      4.100     2.100     1.900 peak   838 spectrum    1 weight  0.10000E+01 volume  0.11351E-02 ppm1      8.307 ppm2      2.338 CV     1
 ASSI {  839}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 90   and name HN  ))
      3.200     1.300     1.300 peak   839 spectrum    1 weight  0.10000E+01 volume  0.11338E-02 ppm1      8.694 ppm2      9.477 CV     1
 ASSI {  840}
   (( segid " 1SG" and resid 92   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG2%)
      4.100     2.100     1.900 peak   840 spectrum    1 weight  0.10000E+01 volume  0.11327E-02 ppm1      8.735 ppm2     -0.459 CV     1
 ASSI {  843}
   (( segid " 1SG" and resid 7    and name HN  ))
   (( segid " 1SG" and resid 7    and name HB2 ))
      3.100     1.200     1.200 peak   843 spectrum    1 weight  0.10000E+01 volume  0.11281E-02 ppm1      8.878 ppm2      2.581 CV     1
 ASSI {  844}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 69   and name HN  ))
      4.100     2.100     1.900 peak   844 spectrum    1 weight  0.10000E+01 volume  0.11268E-02 ppm1      7.422 ppm2      6.897 CV     1
 ASSI {  847}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 4    and name HN  ))
      3.700     1.700     1.700 peak   847 spectrum    1 weight  0.10000E+01 volume  0.11219E-02 ppm1      8.112 ppm2      8.269 CV     1
 ASSI {  848}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 39   and name HB  ))
      3.800     1.800     1.800 peak   848 spectrum    1 weight  0.10000E+01 volume  0.11189E-02 ppm1      8.696 ppm2      0.582 CV     1
 ASSI {  852}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 71   and name HA  ))
      3.100     1.200     1.200 peak   852 spectrum    1 weight  0.10000E+01 volume  0.11092E-02 ppm1      8.722 ppm2      5.068 CV     1
 ASSI {  853}
   (( segid " 1SG" and resid 31   and name HN  ))
   (( segid " 1SG" and resid 30   and name HN  ))
      3.200     1.300     1.300 peak   853 spectrum    1 weight  0.10000E+01 volume  0.11089E-02 ppm1      8.414 ppm2      8.590 CV     1
 ASSI {  854}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 80   and name HN  ))
      4.000     2.000     2.000 peak   854 spectrum    1 weight  0.10000E+01 volume  0.11081E-02 ppm1      8.971 ppm2      5.576 CV     1
 ASSI {  859}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 41   and name HA  ))
      3.200     1.300     1.300 peak   859 spectrum    1 weight  0.10000E+01 volume  0.10995E-02 ppm1      9.309 ppm2      5.470 CV     1
 ASSI {  860}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 73   and name HB2 ))
      3.400     1.400     1.400 peak   860 spectrum    1 weight  0.10000E+01 volume  0.10970E-02 ppm1      9.449 ppm2      1.556 CV     1
 ASSI {  861}
   (( segid " 1SG" and resid 20   and name HN  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      2.700     2.700     3.300 peak   861 spectrum    1 weight  0.10000E+01 volume  0.10958E-02 ppm1      8.825 ppm2      1.280 CV     1
 ASSI {  863}
   (( segid " 1SG" and resid 16   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      4.100     2.100     1.900 peak   863 spectrum    1 weight  0.10000E+01 volume  0.10939E-02 ppm1      8.593 ppm2      0.375 CV     1
 ASSI {  864}
   (( segid " 1SG" and resid 26   and name HN  ))
   (( segid " 1SG" and resid 73   and name HA  ))
      3.500     1.600     1.600 peak   864 spectrum    1 weight  0.10000E+01 volume  0.10915E-02 ppm1      9.497 ppm2      5.471 CV     1
 ASSI {  865}
   (( segid " 1SG" and resid 46   and name HN  ))
   (  segid " 1SG" and resid 47   and name HG1%)
      4.600     2.700     1.400 peak   865 spectrum    1 weight  0.10000E+01 volume  0.10911E-02 ppm1      8.216 ppm2      0.967 CV     1
 ASSI {  866}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 46   and name HA  ))
      3.600     1.600     1.600 peak   866 spectrum    1 weight  0.10000E+01 volume  0.10895E-02 ppm1      7.291 ppm2      4.989 CV     1
 ASSI {  872}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 52   and name HB2 ))
      2.600     0.900     0.900 peak   872 spectrum    1 weight  0.10000E+01 volume  0.10834E-02 ppm1      6.764 ppm2      1.716 CV     1
 ASSI {  873}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 76   and name HG12))
      4.200     2.200     1.800 peak   873 spectrum    1 weight  0.10000E+01 volume  0.10824E-02 ppm1      7.198 ppm2      1.092 CV     1
 ASSI {  874}
   (( segid " 1SG" and resid 71   and name HN  ))
   (  segid " 1SG" and resid 63   and name HD% )
      2.700     2.700     3.300 peak   874 spectrum    1 weight  0.10000E+01 volume  0.10798E-02 ppm1      8.724 ppm2      5.900 CV     1
 ASSI {  875}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 104  and name HB2 ))
      3.800     1.800     1.800 peak   875 spectrum    1 weight  0.10000E+01 volume  0.10791E-02 ppm1      8.793 ppm2      1.229 CV     1
 ASSI {  877}
   (( segid " 1SG" and resid 24   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD2%)
      4.400     2.500     1.600 peak   877 spectrum    1 weight  0.10000E+01 volume  0.10764E-02 ppm1      9.239 ppm2      0.410 CV     1
 OR {  877}
   (( segid " 1SG" and resid 24   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI {  879}
   (( segid " 1SG" and resid 96   and name HN  ))
   (  segid " 1SG" and resid 93   and name HG2%)
      2.700     2.700     3.300 peak   879 spectrum    1 weight  0.10000E+01 volume  0.10734E-02 ppm1      7.548 ppm2      1.025 CV     1
 ASSI {  880}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 78   and name HA  ))
      3.400     1.500     1.500 peak   880 spectrum    1 weight  0.10000E+01 volume  0.10724E-02 ppm1      8.826 ppm2      4.088 CV     1
 ASSI {  881}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 41   and name HB2 ))
      3.000     1.100     1.100 peak   881 spectrum    1 weight  0.10000E+01 volume  0.10716E-02 ppm1      9.312 ppm2      3.155 CV     1
 ASSI {  885}
   (( segid " 1SG" and resid 86   and name HN  ))
   (( segid " 1SG" and resid 87   and name HN  ))
      3.500     1.500     1.500 peak   885 spectrum    1 weight  0.10000E+01 volume  0.10654E-02 ppm1      7.947 ppm2      9.112 CV     1
 ASSI {  886}
   (( segid " 1SG" and resid 24   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
      4.700     2.800     1.300 peak   886 spectrum    1 weight  0.10000E+01 volume  0.10647E-02 ppm1      9.239 ppm2      0.619 CV     1
 OR {  886}
   (( segid " 1SG" and resid 24   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI {  888}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 105  and name HA  ))
      3.200     1.300     1.300 peak   888 spectrum    1 weight  0.10000E+01 volume  0.10629E-02 ppm1      8.397 ppm2      4.536 CV     1
 ASSI {  889}
   (( segid " 1SG" and resid 58   and name HE22))
   (  segid " 1SG" and resid 77   and name HG2%)
      3.500     1.600     1.600 peak   889 spectrum    1 weight  0.10000E+01 volume  0.10597E-02 ppm1      6.684 ppm2      1.034 CV     1
 ASSI {  890}
   (( segid " 1SG" and resid 58   and name HN  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      4.100     2.100     1.900 peak   890 spectrum    1 weight  0.10000E+01 volume  0.10589E-02 ppm1      8.939 ppm2      1.056 CV     1
 ASSI {  891}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 38   and name HN  ))
      3.800     1.800     1.800 peak   891 spectrum    1 weight  0.10000E+01 volume  0.10576E-02 ppm1      7.893 ppm2      8.374 CV     1
 ASSI {  892}
   (( segid " 1SG" and resid 14   and name HN  ))
   (  segid " 1SG" and resid 22   and name HD1%)
      3.900     1.900     1.900 peak   892 spectrum    1 weight  0.10000E+01 volume  0.10572E-02 ppm1      9.186 ppm2      0.528 CV     1
 ASSI {  894}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 28   and name HA  ))
      3.300     1.300     1.300 peak   894 spectrum    1 weight  0.10000E+01 volume  0.10544E-02 ppm1      9.673 ppm2      4.901 CV     1
 ASSI {  896}
   (( segid " 1SG" and resid 98   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.600     1.700     1.700 peak   896 spectrum    1 weight  0.10000E+01 volume  0.10540E-02 ppm1      8.417 ppm2      0.476 CV     1
 ASSI {  897}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 45   and name HA  ))
      4.400     2.400     1.600 peak   897 spectrum    1 weight  0.10000E+01 volume  0.10536E-02 ppm1      7.291 ppm2      3.498 CV     1
 ASSI {  899}
   (( segid " 1SG" and resid 80   and name HE21))
   (  segid " 1SG" and resid 18   and name HG1%)
      4.700     2.800     1.300 peak   899 spectrum    1 weight  0.10000E+01 volume  0.10525E-02 ppm1      6.984 ppm2      0.990 CV     1
 ASSI {  900}
   (( segid " 1SG" and resid 85   and name HN  ))
   (  segid " 1SG" and resid 87   and name HE% )
      3.900     1.900     1.900 peak   900 spectrum    1 weight  0.10000E+01 volume  0.10519E-02 ppm1      9.408 ppm2      6.590 CV     1
 ASSI {  902}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 14   and name HN  ))
      4.000     2.000     2.000 peak   902 spectrum    1 weight  0.10000E+01 volume  0.10509E-02 ppm1      8.503 ppm2      9.185 CV     1
 ASSI {  905}
   (( segid " 1SG" and resid 8    and name HN  ))
   (( segid " 1SG" and resid 28   and name HA  ))
      3.400     1.500     1.500 peak   905 spectrum    1 weight  0.10000E+01 volume  0.10477E-02 ppm1      9.051 ppm2      4.900 CV     1
 ASSI {  906}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 61   and name HN  ))
      4.000     2.000     2.000 peak   906 spectrum    1 weight  0.10000E+01 volume  0.10465E-02 ppm1      8.846 ppm2      8.182 CV     1
 ASSI {  911}
   (( segid " 1SG" and resid 7    and name HN  ))
   (( segid " 1SG" and resid 7    and name HA  ))
      3.400     1.500     1.500 peak   911 spectrum    1 weight  0.10000E+01 volume  0.10388E-02 ppm1      8.874 ppm2      4.632 CV     1
 ASSI {  913}
   (( segid " 1SG" and resid 100  and name HN  ))
   (( segid " 1SG" and resid 90   and name HB2 ))
      2.800     2.800     3.200 peak   913 spectrum    1 weight  0.10000E+01 volume  0.10357E-02 ppm1      8.888 ppm2      2.040 CV     1
 ASSI {  914}
   (( segid " 1SG" and resid 100  and name HN  ))
   (( segid " 1SG" and resid 99   and name HB2 ))
      3.500     1.600     1.600 peak   914 spectrum    1 weight  0.10000E+01 volume  0.10331E-02 ppm1      8.896 ppm2      2.735 CV     1
 ASSI {  915}
   (( segid " 1SG" and resid 68   and name HN  ))
   (( segid " 1SG" and resid 67   and name HB1 ))
      3.900     1.900     1.900 peak   915 spectrum    1 weight  0.10000E+01 volume  0.10304E-02 ppm1      7.872 ppm2      3.727 CV     1
 OR {  915}
   (( segid " 1SG" and resid 68   and name HN  ))
   (( segid " 1SG" and resid 67   and name HB2 ))
 ASSI {  916}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 36   and name HD2 ))
      4.200     2.200     1.800 peak   916 spectrum    1 weight  0.10000E+01 volume  0.10288E-02 ppm1      7.511 ppm2      3.495 CV     1
 ASSI {  919}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 103  and name HD22))
      3.500     1.600     1.600 peak   919 spectrum    1 weight  0.10000E+01 volume  0.10253E-02 ppm1      9.241 ppm2      6.759 CV     1
 ASSI {  920}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 16   and name HN  ))
      4.000     2.000     2.000 peak   920 spectrum    1 weight  0.10000E+01 volume  0.10251E-02 ppm1      8.401 ppm2      8.591 CV     1
 ASSI {  922}
   (( segid " 1SG" and resid 84   and name HN  ))
   (( segid " 1SG" and resid 106  and name HB  ))
      4.100     2.100     1.900 peak   922 spectrum    1 weight  0.10000E+01 volume  0.10226E-02 ppm1      7.867 ppm2      1.848 CV     1
 ASSI {  929}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 62   and name HB2 ))
      3.200     1.300     1.300 peak   929 spectrum    1 weight  0.10000E+01 volume  0.10165E-02 ppm1      8.847 ppm2      3.809 CV     1
 ASSI {  930}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 43   and name HN  ))
      3.300     1.400     1.400 peak   930 spectrum    1 weight  0.10000E+01 volume  0.10156E-02 ppm1      7.291 ppm2      8.632 CV     1
 ASSI {  931}
   (( segid " 1SG" and resid 59   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
      3.500     1.600     1.600 peak   931 spectrum    1 weight  0.10000E+01 volume  0.10153E-02 ppm1      8.380 ppm2      0.601 CV     1
 OR {  931}
   (( segid " 1SG" and resid 59   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI {  939}
   (( segid " 1SG" and resid 84   and name HN  ))
   (( segid " 1SG" and resid 81   and name HA  ))
      4.700     2.800     1.300 peak   939 spectrum    1 weight  0.10000E+01 volume  0.10073E-02 ppm1      7.866 ppm2      3.996 CV     1
 ASSI {  940}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 96   and name HG1 ))
      3.100     1.200     1.200 peak   940 spectrum    1 weight  0.10000E+01 volume  0.10073E-02 ppm1      8.106 ppm2      1.324 CV     1
 OR {  940}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 96   and name HG2 ))
 ASSI {  941}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 25   and name HA  ))
      3.700     1.700     1.700 peak   941 spectrum    1 weight  0.10000E+01 volume  0.10065E-02 ppm1      8.472 ppm2      5.686 CV     1
 ASSI {  943}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 43   and name HG2 ))
      3.200     1.300     1.300 peak   943 spectrum    1 weight  0.10000E+01 volume  0.10007E-02 ppm1      8.211 ppm2      0.071 CV     1
 ASSI {  944}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 59   and name HN  ))
      3.700     1.700     1.700 peak   944 spectrum    1 weight  0.10000E+01 volume  0.99481E-03 ppm1      8.685 ppm2      8.389 CV     1
 ASSI {  946}
   (( segid " 1SG" and resid 90   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG2%)
      4.400     2.500     1.600 peak   946 spectrum    1 weight  0.10000E+01 volume  0.98835E-03 ppm1      9.489 ppm2     -0.473 CV     1
 ASSI {  947}
   (( segid " 1SG" and resid 23   and name HN  ))
   (( segid " 1SG" and resid 22   and name HN  ))
      3.900     1.900     1.900 peak   947 spectrum    1 weight  0.10000E+01 volume  0.98611E-03 ppm1      7.911 ppm2      8.899 CV     1
 ASSI {  951}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 73   and name HB2 ))
      3.900     1.900     1.900 peak   951 spectrum    1 weight  0.10000E+01 volume  0.98066E-03 ppm1      8.467 ppm2      1.552 CV     1
 ASSI {  952}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 72   and name HB2 ))
      4.100     2.100     1.900 peak   952 spectrum    1 weight  0.10000E+01 volume  0.97949E-03 ppm1      8.896 ppm2      2.884 CV     1
 ASSI {  953}
   (( segid " 1SG" and resid 82   and name HN  ))
   (( segid " 1SG" and resid 82   and name HA  ))
      3.500     1.500     1.500 peak   953 spectrum    1 weight  0.10000E+01 volume  0.97903E-03 ppm1      8.017 ppm2      4.202 CV     1
 ASSI {  955}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 91   and name HB  ))
      4.200     2.200     1.800 peak   955 spectrum    1 weight  0.10000E+01 volume  0.97796E-03 ppm1      8.733 ppm2      1.128 CV     1
 ASSI {  958}
   (( segid " 1SG" and resid 18   and name HN  ))
   (( segid " 1SG" and resid 19   and name HN  ))
      4.100     2.100     1.900 peak   958 spectrum    1 weight  0.10000E+01 volume  0.97216E-03 ppm1      8.005 ppm2      9.828 CV     1
 ASSI {  963}
   (( segid " 1SG" and resid 72   and name HN  ))
   (( segid " 1SG" and resid 72   and name HA  ))
      3.000     1.100     1.100 peak   963 spectrum    1 weight  0.10000E+01 volume  0.96743E-03 ppm1      9.295 ppm2      5.368 CV     1
 ASSI {  964}
   (( segid " 1SG" and resid 87   and name HN  ))
   (( segid " 1SG" and resid 87   and name HA  ))
      3.300     1.400     1.400 peak   964 spectrum    1 weight  0.10000E+01 volume  0.96600E-03 ppm1      9.110 ppm2      4.975 CV     1
 ASSI {  967}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 17   and name HN  ))
      4.100     2.100     1.900 peak   967 spectrum    1 weight  0.10000E+01 volume  0.96234E-03 ppm1      8.592 ppm2      7.900 CV     1
 ASSI {  968}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 40   and name HN  ))
      3.900     1.900     1.900 peak   968 spectrum    1 weight  0.10000E+01 volume  0.95984E-03 ppm1      7.893 ppm2      8.706 CV     1
 ASSI {  971}
   (( segid " 1SG" and resid 33   and name HN  ))
   (  segid " 1SG" and resid 33   and name HD2%)
      3.700     1.700     1.700 peak   971 spectrum    1 weight  0.10000E+01 volume  0.95694E-03 ppm1      7.611 ppm2      0.876 CV     1
 OR {  971}
   (( segid " 1SG" and resid 33   and name HN  ))
   (  segid " 1SG" and resid 33   and name HD1%)
 ASSI {  972}
   (( segid " 1SG" and resid 72   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD2%)
      4.700     2.700     1.300 peak   972 spectrum    1 weight  0.10000E+01 volume  0.95669E-03 ppm1      9.295 ppm2      0.738 CV     1
 ASSI {  973}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 104  and name HG  ))
      3.300     1.400     1.400 peak   973 spectrum    1 weight  0.10000E+01 volume  0.95633E-03 ppm1      8.401 ppm2      1.329 CV     1
 ASSI {  975}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 42   and name HN  ))
      3.200     1.300     1.300 peak   975 spectrum    1 weight  0.10000E+01 volume  0.95399E-03 ppm1      9.108 ppm2      9.450 CV     1
 ASSI {  976}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 74   and name HB2 ))
      4.100     2.100     1.900 peak   976 spectrum    1 weight  0.10000E+01 volume  0.95231E-03 ppm1      9.150 ppm2     -0.838 CV     1
 ASSI {  977}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 87   and name HB2 ))
      4.100     2.100     1.900 peak   977 spectrum    1 weight  0.10000E+01 volume  0.94737E-03 ppm1      9.107 ppm2      0.710 CV     1
 ASSI {  979}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 46   and name HB2 ))
      3.800     1.800     1.800 peak   979 spectrum    1 weight  0.10000E+01 volume  0.94284E-03 ppm1      7.292 ppm2      3.055 CV     1
 ASSI {  980}
   (( segid " 1SG" and resid 10   and name HN  ))
   (( segid " 1SG" and resid 9    and name HG2 ))
      3.900     1.900     1.900 peak   980 spectrum    1 weight  0.10000E+01 volume  0.94264E-03 ppm1      8.851 ppm2      2.507 CV     1
 ASSI {  984}
   (( segid " 1SG" and resid 107  and name HN  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      4.400     2.500     1.600 peak   984 spectrum    1 weight  0.10000E+01 volume  0.93546E-03 ppm1      8.820 ppm2      1.285 CV     1
 ASSI {  990}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 77   and name HN  ))
      4.000     2.000     2.000 peak   990 spectrum    1 weight  0.10000E+01 volume  0.92894E-03 ppm1      8.053 ppm2      8.718 CV     1
 ASSI {  991}
   (( segid " 1SG" and resid 97   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.900     1.900     1.900 peak   991 spectrum    1 weight  0.10000E+01 volume  0.92858E-03 ppm1      8.063 ppm2      0.474 CV     1
 ASSI {  992}
   (( segid " 1SG" and resid 90   and name HN  ))
   (( segid " 1SG" and resid 90   and name HB2 ))
      3.300     1.400     1.400 peak   992 spectrum    1 weight  0.10000E+01 volume  0.92823E-03 ppm1      9.489 ppm2      2.034 CV     1
 ASSI {  993}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 49   and name HG  ))
      4.200     2.200     1.800 peak   993 spectrum    1 weight  0.10000E+01 volume  0.92787E-03 ppm1      8.941 ppm2      0.789 CV     1
 ASSI {  994}
   (( segid " 1SG" and resid 22   and name HN  ))
   (  segid " 1SG" and resid 77   and name HG2%)
      3.900     1.900     1.900 peak   994 spectrum    1 weight  0.10000E+01 volume  0.92573E-03 ppm1      8.888 ppm2      1.018 CV     1
 ASSI {  998}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 18   and name HA  ))
      3.900     1.900     1.900 peak   998 spectrum    1 weight  0.10000E+01 volume  0.91672E-03 ppm1      8.973 ppm2      3.481 CV     1
 ASSI { 1001}
   (( segid " 1SG" and resid 28   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG2%)
      3.900     1.900     1.900 peak  1001 spectrum    1 weight  0.10000E+01 volume  0.91347E-03 ppm1      9.673 ppm2      0.941 CV     1
 OR { 1001}
   (( segid " 1SG" and resid 28   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG1%)
 ASSI { 1002}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 2    and name HA  ))
      3.700     1.700     1.700 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.91209E-03 ppm1      8.264 ppm2      4.901 CV     1
 ASSI { 1003}
   (( segid " 1SG" and resid 105  and name HN  ))
   (  segid " 1SG" and resid 104  and name HD2%)
      4.500     2.500     1.500 peak  1003 spectrum    1 weight  0.10000E+01 volume  0.90486E-03 ppm1      8.399 ppm2      0.818 CV     1
 ASSI { 1004}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 57   and name HG  ))
      3.800     1.800     1.800 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.90420E-03 ppm1      6.764 ppm2      0.753 CV     1
 ASSI { 1008}
   (( segid " 1SG" and resid 78   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      4.400     2.400     1.600 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.90155E-03 ppm1      8.053 ppm2      1.176 CV     1
 ASSI { 1009}
   (( segid " 1SG" and resid 27   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG2%)
      4.400     2.400     1.600 peak  1009 spectrum    1 weight  0.10000E+01 volume  0.90140E-03 ppm1      8.893 ppm2      0.948 CV     1
 OR { 1009}
   (( segid " 1SG" and resid 27   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG1%)
 ASSI { 1010}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 61   and name HN  ))
      4.500     2.500     1.500 peak  1010 spectrum    1 weight  0.10000E+01 volume  0.90130E-03 ppm1      8.686 ppm2      8.184 CV     1
 ASSI { 1013}
   (( segid " 1SG" and resid 46   and name HN  ))
   (( segid " 1SG" and resid 46   and name HA  ))
      3.400     1.500     1.500 peak  1013 spectrum    1 weight  0.10000E+01 volume  0.89931E-03 ppm1      8.217 ppm2      4.976 CV     1
 ASSI { 1014}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 21   and name HN  ))
      4.000     2.000     2.000 peak  1014 spectrum    1 weight  0.10000E+01 volume  0.89880E-03 ppm1      8.891 ppm2      8.169 CV     1
 ASSI { 1015}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 74   and name HA  ))
      3.300     1.300     1.300 peak  1015 spectrum    1 weight  0.10000E+01 volume  0.89824E-03 ppm1      8.470 ppm2      4.333 CV     1
 ASSI { 1016}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (  segid " 1SG" and resid 47   and name HG1%)
      3.800     1.800     1.800 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.89687E-03 ppm1     10.115 ppm2      0.962 CV     1
 ASSI { 1017}
   (( segid " 1SG" and resid 38   and name HN  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      3.500     1.600     1.600 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.89392E-03 ppm1      8.375 ppm2      0.173 CV     1
 ASSI { 1018}
   (( segid " 1SG" and resid 98   and name HN  ))
   (  segid " 1SG" and resid 97   and name HD% )
      3.600     1.600     1.600 peak  1018 spectrum    1 weight  0.10000E+01 volume  0.89193E-03 ppm1      8.417 ppm2      7.087 CV     1
 ASSI { 1019}
   (( segid " 1SG" and resid 104  and name HN  ))
   (  segid " 1SG" and resid 104  and name HD2%)
      4.300     2.300     1.700 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.88929E-03 ppm1      8.795 ppm2      0.813 CV     1
 ASSI { 1020}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 57   and name HN  ))
      3.300     1.400     1.400 peak  1020 spectrum    1 weight  0.10000E+01 volume  0.88867E-03 ppm1      7.433 ppm2      7.207 CV     1
 ASSI { 1022}
   (( segid " 1SG" and resid 101  and name HN  ))
   (( segid " 1SG" and resid 101  and name HB2 ))
      4.200     2.200     1.800 peak  1022 spectrum    1 weight  0.10000E+01 volume  0.88699E-03 ppm1      9.044 ppm2      2.699 CV     1
 ASSI { 1023}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 58   and name HN  ))
      4.000     2.000     2.000 peak  1023 spectrum    1 weight  0.10000E+01 volume  0.88649E-03 ppm1      8.380 ppm2      8.945 CV     1
 ASSI { 1026}
   (( segid " 1SG" and resid 91   and name HN  ))
   (( segid " 1SG" and resid 99   and name HA  ))
      3.900     1.900     1.900 peak  1026 spectrum    1 weight  0.10000E+01 volume  0.88216E-03 ppm1      8.474 ppm2      5.702 CV     1
 ASSI { 1027}
   (( segid " 1SG" and resid 18   and name HN  ))
   (( segid " 1SG" and resid 107  and name HB1 ))
      4.100     2.100     1.900 peak  1027 spectrum    1 weight  0.10000E+01 volume  0.88160E-03 ppm1      8.006 ppm2      3.075 CV     1
 OR { 1027}
   (( segid " 1SG" and resid 18   and name HN  ))
   (( segid " 1SG" and resid 107  and name HB2 ))
 ASSI { 1028}
   (( segid " 1SG" and resid 12   and name HN  ))
   (( segid " 1SG" and resid 11   and name HB2 ))
      3.500     1.500     1.500 peak  1028 spectrum    1 weight  0.10000E+01 volume  0.87992E-03 ppm1      8.345 ppm2      0.920 CV     1
 ASSI { 1029}
   (( segid " 1SG" and resid 42   and name HN  ))
   (( segid " 1SG" and resid 42   and name HB2 ))
      3.600     1.600     1.600 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.87982E-03 ppm1      9.448 ppm2      2.466 CV     1
 ASSI { 1031}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 70   and name HN  ))
      4.000     2.000     2.000 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.87854E-03 ppm1      6.898 ppm2      9.268 CV     1
 ASSI { 1035}
   (( segid " 1SG" and resid 84   and name HN  ))
   (( segid " 1SG" and resid 106  and name HN  ))
      4.100     2.100     1.900 peak  1035 spectrum    1 weight  0.10000E+01 volume  0.87335E-03 ppm1      7.865 ppm2      8.160 CV     1
 ASSI { 1036}
   (( segid " 1SG" and resid 51   and name HN  ))
   (( segid " 1SG" and resid 49   and name HA  ))
      3.600     1.600     1.600 peak  1036 spectrum    1 weight  0.10000E+01 volume  0.87076E-03 ppm1      7.877 ppm2      3.864 CV     1
 ASSI { 1039}
   (( segid " 1SG" and resid 65   and name HN  ))
   (  segid " 1SG" and resid 66   and name HB% )
      4.600     2.600     1.400 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.86694E-03 ppm1      8.306 ppm2      1.408 CV     1
 ASSI { 1040}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      4.300     2.300     1.700 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.86622E-03 ppm1      8.721 ppm2      2.808 CV     1
 ASSI { 1041}
   (( segid " 1SG" and resid 70   and name HN  ))
   (( segid " 1SG" and resid 69   and name HB  ))
      4.000     2.000     2.000 peak  1041 spectrum    1 weight  0.10000E+01 volume  0.86363E-03 ppm1      9.274 ppm2      1.751 CV     1
 ASSI { 1042}
   (( segid " 1SG" and resid 84   and name HN  ))
   (( segid " 1SG" and resid 83   and name HB2 ))
      3.800     1.800     1.800 peak  1042 spectrum    1 weight  0.10000E+01 volume  0.86322E-03 ppm1      7.868 ppm2      3.172 CV     1
 ASSI { 1043}
   (( segid " 1SG" and resid 30   and name HN  ))
   (  segid " 1SG" and resid 70   and name HD% )
      3.700     1.700     1.700 peak  1043 spectrum    1 weight  0.10000E+01 volume  0.86195E-03 ppm1      8.592 ppm2      7.062 CV     1
 ASSI { 1045}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 81   and name HA  ))
      3.700     1.800     1.800 peak  1045 spectrum    1 weight  0.10000E+01 volume  0.85737E-03 ppm1      8.255 ppm2      3.992 CV     1
 ASSI { 1046}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 99   and name HA  ))
      3.500     1.500     1.500 peak  1046 spectrum    1 weight  0.10000E+01 volume  0.85416E-03 ppm1      9.230 ppm2      5.702 CV     1
 ASSI { 1047}
   (( segid " 1SG" and resid 84   and name HN  ))
   (  segid " 1SG" and resid 104  and name HD2%)
      3.900     1.900     1.900 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.85385E-03 ppm1      7.867 ppm2      0.812 CV     1
 ASSI { 1049}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 54   and name HN  ))
      3.600     1.600     1.600 peak  1049 spectrum    1 weight  0.10000E+01 volume  0.85121E-03 ppm1      7.434 ppm2      9.012 CV     1
 ASSI { 1051}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 19   and name HA1 ))
      4.600     2.600     1.400 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.84937E-03 ppm1      8.051 ppm2      4.254 CV     1
 ASSI { 1052}
   (( segid " 1SG" and resid 46   and name HN  ))
   (( segid " 1SG" and resid 46   and name HB2 ))
      3.900     1.900     1.900 peak  1052 spectrum    1 weight  0.10000E+01 volume  0.84800E-03 ppm1      8.216 ppm2      3.056 CV     1
 ASSI { 1054}
   (( segid " 1SG" and resid 62   and name HN  ))
   (  segid " 1SG" and resid 72   and name HD% )
      4.000     2.000     2.000 peak  1054 spectrum    1 weight  0.10000E+01 volume  0.84535E-03 ppm1      8.848 ppm2      7.306 CV     1
 ASSI { 1055}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HD2 ))
      4.300     2.300     1.700 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.84489E-03 ppm1      8.305 ppm2      3.228 CV     1
 OR { 1055}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HD1 ))
 ASSI { 1057}
   (( segid " 1SG" and resid 72   and name HN  ))
   (  segid " 1SG" and resid 26   and name HB% )
      3.700     1.800     1.800 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.84311E-03 ppm1      9.293 ppm2      1.455 CV     1
 ASSI { 1059}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 23   and name HB  ))
      4.300     2.300     1.700 peak  1059 spectrum    1 weight  0.10000E+01 volume  0.83960E-03 ppm1      9.239 ppm2      3.585 CV     1
 ASSI { 1060}
   (( segid " 1SG" and resid 70   and name HN  ))
   (( segid " 1SG" and resid 28   and name HN  ))
      3.400     1.400     1.400 peak  1060 spectrum    1 weight  0.10000E+01 volume  0.83919E-03 ppm1      9.269 ppm2      9.678 CV     1
 ASSI { 1061}
   (( segid " 1SG" and resid 46   and name HN  ))
   (( segid " 1SG" and resid 45   and name HB2 ))
      3.700     1.700     1.700 peak  1061 spectrum    1 weight  0.10000E+01 volume  0.83807E-03 ppm1      8.213 ppm2      0.596 CV     1
 OR { 1061}
   (( segid " 1SG" and resid 46   and name HN  ))
   (( segid " 1SG" and resid 45   and name HG2 ))
 ASSI { 1062}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 74   and name HA  ))
      3.500     1.600     1.600 peak  1062 spectrum    1 weight  0.10000E+01 volume  0.83690E-03 ppm1      8.687 ppm2      4.333 CV     1
 ASSI { 1064}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 48   and name HN  ))
      4.300     2.300     1.700 peak  1064 spectrum    1 weight  0.10000E+01 volume  0.83395E-03 ppm1      7.293 ppm2      8.400 CV     1
 ASSI { 1065}
   (( segid " 1SG" and resid 85   and name HN  ))
   (( segid " 1SG" and resid 104  and name HG  ))
      3.600     1.700     1.700 peak  1065 spectrum    1 weight  0.10000E+01 volume  0.83242E-03 ppm1      9.407 ppm2      1.334 CV     1
 ASSI { 1071}
   (( segid " 1SG" and resid 7    and name HN  ))
   (( segid " 1SG" and resid 6    and name HA  ))
      3.600     1.600     1.600 peak  1071 spectrum    1 weight  0.10000E+01 volume  0.82560E-03 ppm1      8.878 ppm2      4.443 CV     1
 ASSI { 1077}
   (( segid " 1SG" and resid 62   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD2%)
      4.400     2.400     1.600 peak  1077 spectrum    1 weight  0.10000E+01 volume  0.81634E-03 ppm1      8.848 ppm2      0.735 CV     1
 ASSI { 1078}
   (( segid " 1SG" and resid 72   and name HN  ))
   (( segid " 1SG" and resid 27   and name HA  ))
      3.800     1.800     1.800 peak  1078 spectrum    1 weight  0.10000E+01 volume  0.81573E-03 ppm1      9.296 ppm2      5.831 CV     1
 ASSI { 1079}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 67   and name HB2 ))
      3.800     1.800     1.800 peak  1079 spectrum    1 weight  0.10000E+01 volume  0.81450E-03 ppm1      6.900 ppm2      3.732 CV     1
 OR { 1079}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 67   and name HB1 ))
 ASSI { 1080}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 55   and name HA  ))
      3.600     1.600     1.600 peak  1080 spectrum    1 weight  0.10000E+01 volume  0.81369E-03 ppm1      7.434 ppm2      3.988 CV     1
 ASSI { 1081}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 105  and name HB  ))
      4.100     2.100     1.900 peak  1081 spectrum    1 weight  0.10000E+01 volume  0.81333E-03 ppm1      8.593 ppm2      3.930 CV     1
 ASSI { 1082}
   (( segid " 1SG" and resid 77   and name HN  ))
   (( segid " 1SG" and resid 76   and name HB  ))
      4.100     2.100     1.900 peak  1082 spectrum    1 weight  0.10000E+01 volume  0.81308E-03 ppm1      8.711 ppm2      1.910 CV     1
 ASSI { 1083}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 21   and name HA  ))
      3.800     1.800     1.800 peak  1083 spectrum    1 weight  0.10000E+01 volume  0.81242E-03 ppm1      8.972 ppm2      5.495 CV     1
 ASSI { 1084}
   (( segid " 1SG" and resid 80   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      3.900     1.900     1.900 peak  1084 spectrum    1 weight  0.10000E+01 volume  0.81216E-03 ppm1      5.579 ppm2      1.174 CV     1
 ASSI { 1086}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 58   and name HA  ))
      3.500     1.500     1.500 peak  1086 spectrum    1 weight  0.10000E+01 volume  0.81109E-03 ppm1      9.017 ppm2      4.624 CV     1
 ASSI { 1088}
   (( segid " 1SG" and resid 85   and name HN  ))
   (  segid " 1SG" and resid 104  and name HD2%)
      3.200     1.300     1.300 peak  1088 spectrum    1 weight  0.10000E+01 volume  0.80921E-03 ppm1      9.407 ppm2      0.814 CV     1
 ASSI { 1092}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 72   and name HB2 ))
      4.300     2.300     1.700 peak  1092 spectrum    1 weight  0.10000E+01 volume  0.80463E-03 ppm1      9.451 ppm2      2.893 CV     1
 ASSI { 1095}
   (( segid " 1SG" and resid 90   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG1%)
      2.700     0.900     0.900 peak  1095 spectrum    1 weight  0.10000E+01 volume  0.37441E-02 ppm1      9.489 ppm2     -0.081 CV     1
 ASSI { 1099}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 46   and name HD1 ))
      4.300     2.300     1.700 peak  1099 spectrum    1 weight  0.10000E+01 volume  0.79328E-03 ppm1      7.291 ppm2      7.129 CV     1
 ASSI { 1101}
   (( segid " 1SG" and resid 43   and name HN  ))
   (  segid " 1SG" and resid 42   and name HD% )
      3.700     1.700     1.700 peak  1101 spectrum    1 weight  0.10000E+01 volume  0.79180E-03 ppm1      8.628 ppm2      6.700 CV     1
 ASSI { 1102}
   (( segid " 1SG" and resid 93   and name HN  ))
   (( segid " 1SG" and resid 92   and name HN  ))
      4.000     2.000     2.000 peak  1102 spectrum    1 weight  0.10000E+01 volume  0.79129E-03 ppm1      8.556 ppm2      8.734 CV     1
 ASSI { 1103}
   (( segid " 1SG" and resid 76   and name HN  ))
   (( segid " 1SG" and resid 24   and name HN  ))
      4.300     2.300     1.700 peak  1103 spectrum    1 weight  0.10000E+01 volume  0.78432E-03 ppm1      8.925 ppm2      9.242 CV     1
 ASSI { 1105}
   (( segid " 1SG" and resid 48   and name HN  ))
   (  segid " 1SG" and resid 42   and name HD% )
      4.100     2.100     1.900 peak  1105 spectrum    1 weight  0.10000E+01 volume  0.78340E-03 ppm1      8.396 ppm2      6.693 CV     1
 ASSI { 1106}
   (( segid " 1SG" and resid 90   and name HN  ))
   (( segid " 1SG" and resid 89   and name HB2 ))
      4.600     2.600     1.400 peak  1106 spectrum    1 weight  0.10000E+01 volume  0.78330E-03 ppm1      9.488 ppm2      2.324 CV     1
 ASSI { 1109}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 89   and name HB2 ))
      3.400     1.400     1.400 peak  1109 spectrum    1 weight  0.10000E+01 volume  0.78111E-03 ppm1      8.977 ppm2      2.309 CV     1
 ASSI { 1114}
   (( segid " 1SG" and resid 40   and name HN  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      5.000     3.200     1.000 peak  1114 spectrum    1 weight  0.10000E+01 volume  0.77398E-03 ppm1      8.695 ppm2      0.172 CV     1
 ASSI { 1115}
   (( segid " 1SG" and resid 96   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.800     1.800     1.800 peak  1115 spectrum    1 weight  0.10000E+01 volume  0.77037E-03 ppm1      7.545 ppm2      0.466 CV     1
 ASSI { 1116}
   (( segid " 1SG" and resid 78   and name HN  ))
   (  segid " 1SG" and resid 76   and name HG2%)
      4.000     2.000     2.000 peak  1116 spectrum    1 weight  0.10000E+01 volume  0.76675E-03 ppm1      8.055 ppm2      0.789 CV     1
 ASSI { 1117}
   (( segid " 1SG" and resid 64   and name HN  ))
   (( segid " 1SG" and resid 63   and name HB2 ))
      4.900     3.000     1.100 peak  1117 spectrum    1 weight  0.10000E+01 volume  0.76523E-03 ppm1      7.754 ppm2      2.540 CV     1
 ASSI { 1118}
   (( segid " 1SG" and resid 33   and name HN  ))
   (( segid " 1SG" and resid 32   and name HA  ))
      3.700     1.700     1.700 peak  1118 spectrum    1 weight  0.10000E+01 volume  0.76411E-03 ppm1      7.614 ppm2      4.515 CV     1
 ASSI { 1119}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 72   and name HN  ))
      4.000     2.000     2.000 peak  1119 spectrum    1 weight  0.10000E+01 volume  0.76324E-03 ppm1      9.450 ppm2      9.298 CV     1
 ASSI { 1120}
   (( segid " 1SG" and resid 50   and name HN  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      3.900     1.900     1.900 peak  1120 spectrum    1 weight  0.10000E+01 volume  0.76075E-03 ppm1      8.939 ppm2      1.056 CV     1
 ASSI { 1122}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 40   and name HD2 ))
      4.000     2.000     2.000 peak  1122 spectrum    1 weight  0.10000E+01 volume  0.75881E-03 ppm1      8.978 ppm2      1.704 CV     1
 OR { 1122}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 40   and name HD1 ))
 ASSI { 1124}
   (( segid " 1SG" and resid 84   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      5.100     3.200     0.900 peak  1124 spectrum    1 weight  0.10000E+01 volume  0.75800E-03 ppm1      7.861 ppm2      0.372 CV     1
 ASSI { 1127}
   (( segid " 1SG" and resid 30   and name HN  ))
   (  segid " 1SG" and resid 70   and name HE% )
      4.000     2.000     2.000 peak  1127 spectrum    1 weight  0.10000E+01 volume  0.75433E-03 ppm1      8.590 ppm2      6.626 CV     1
 ASSI { 1128}
   (( segid " 1SG" and resid 6    and name HN  ))
   (  segid " 1SG" and resid 6    and name HD1%)
      4.300     2.300     1.700 peak  1128 spectrum    1 weight  0.10000E+01 volume  0.75311E-03 ppm1      8.452 ppm2      0.650 CV     1
 ASSI { 1130}
   (( segid " 1SG" and resid 52   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
      4.500     2.500     1.500 peak  1130 spectrum    1 weight  0.10000E+01 volume  0.75194E-03 ppm1      7.782 ppm2      0.598 CV     1
 OR { 1130}
   (( segid " 1SG" and resid 52   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI { 1132}
   (( segid " 1SG" and resid 51   and name HN  ))
   (( segid " 1SG" and resid 52   and name HG2 ))
      4.300     2.300     1.700 peak  1132 spectrum    1 weight  0.10000E+01 volume  0.75092E-03 ppm1      7.881 ppm2      1.329 CV     1
 OR { 1132}
   (( segid " 1SG" and resid 51   and name HN  ))
   (( segid " 1SG" and resid 52   and name HG1 ))
 ASSI { 1134}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 43   and name HA  ))
      3.400     1.400     1.400 peak  1134 spectrum    1 weight  0.10000E+01 volume  0.74975E-03 ppm1      8.628 ppm2      4.137 CV     1
 ASSI { 1135}
   (( segid " 1SG" and resid 102  and name HN  ))
   (  segid " 1SG" and resid 102  and name HD% )
      3.600     1.700     1.700 peak  1135 spectrum    1 weight  0.10000E+01 volume  0.74960E-03 ppm1      8.559 ppm2      6.774 CV     1
 ASSI { 1136}
   (( segid " 1SG" and resid 85   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG1%)
      4.100     2.100     1.900 peak  1136 spectrum    1 weight  0.10000E+01 volume  0.74868E-03 ppm1      9.402 ppm2      0.679 CV     1
 ASSI { 1139}
   (( segid " 1SG" and resid 97   and name HN  ))
   (  segid " 1SG" and resid 97   and name HD% )
      4.500     2.600     1.500 peak  1139 spectrum    1 weight  0.10000E+01 volume  0.74741E-03 ppm1      8.059 ppm2      7.095 CV     1
 ASSI { 1147}
   (( segid " 1SG" and resid 6    and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      4.700     2.700     1.300 peak  1147 spectrum    1 weight  0.10000E+01 volume  0.74176E-03 ppm1      8.450 ppm2      0.473 CV     1
 ASSI { 1148}
   (( segid " 1SG" and resid 100  and name HN  ))
   (( segid " 1SG" and resid 100  and name HB2 ))
      4.100     2.100     1.900 peak  1148 spectrum    1 weight  0.10000E+01 volume  0.74099E-03 ppm1      8.896 ppm2      2.949 CV     1
 ASSI { 1149}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 94   and name HD2 ))
      2.900     2.900     3.100 peak  1149 spectrum    1 weight  0.10000E+01 volume  0.73962E-03 ppm1      7.966 ppm2      1.675 CV     1
 OR { 1149}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 94   and name HD1 ))
 ASSI { 1150}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 7    and name HB2 ))
      2.900     2.900     3.100 peak  1150 spectrum    1 weight  0.10000E+01 volume  0.73937E-03 ppm1      7.886 ppm2      2.575 CV     1
 ASSI { 1151}
   (( segid " 1SG" and resid 105  and name HN  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      4.200     2.200     1.800 peak  1151 spectrum    1 weight  0.10000E+01 volume  0.73865E-03 ppm1      8.397 ppm2      0.598 CV     1
 ASSI { 1153}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 49   and name HB2 ))
      4.600     2.700     1.400 peak  1153 spectrum    1 weight  0.10000E+01 volume  0.73453E-03 ppm1      6.765 ppm2      1.541 CV     1
 ASSI { 1154}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 104  and name HG  ))
      4.100     2.100     1.900 peak  1154 spectrum    1 weight  0.10000E+01 volume  0.73402E-03 ppm1      8.795 ppm2      1.331 CV     1
 ASSI { 1155}
   (( segid " 1SG" and resid 17   and name HN  ))
   (( segid " 1SG" and resid 20   and name HA1 ))
      3.600     1.700     1.700 peak  1155 spectrum    1 weight  0.10000E+01 volume  0.73163E-03 ppm1      7.901 ppm2      3.729 CV     1
 ASSI { 1156}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 94   and name HA  ))
      4.700     2.800     1.300 peak  1156 spectrum    1 weight  0.10000E+01 volume  0.73158E-03 ppm1      7.545 ppm2      4.046 CV     1
 ASSI { 1159}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (  segid " 1SG" and resid 47   and name HG2%)
      3.900     1.900     1.900 peak  1159 spectrum    1 weight  0.10000E+01 volume  0.73066E-03 ppm1     10.119 ppm2      0.784 CV     1
 ASSI { 1160}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 29   and name HN  ))
      4.100     2.100     1.900 peak  1160 spectrum    1 weight  0.10000E+01 volume  0.72954E-03 ppm1      9.673 ppm2      8.869 CV     1
 ASSI { 1161}
   (( segid " 1SG" and resid 21   and name HN  ))
   (( segid " 1SG" and resid 77   and name HA  ))
      4.800     2.800     1.200 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.72898E-03 ppm1      8.164 ppm2      4.654 CV     1
 ASSI { 1162}
   (( segid " 1SG" and resid 64   and name HN  ))
   (( segid " 1SG" and resid 68   and name HN  ))
      4.000     2.000     2.000 peak  1162 spectrum    1 weight  0.10000E+01 volume  0.72822E-03 ppm1      7.762 ppm2      7.885 CV     1
 ASSI { 1163}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 48   and name HB2 ))
      4.400     2.400     1.600 peak  1163 spectrum    1 weight  0.10000E+01 volume  0.72781E-03 ppm1      9.289 ppm2      2.942 CV     1
 ASSI { 1166}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 104  and name HB2 ))
      4.400     2.400     1.600 peak  1166 spectrum    1 weight  0.10000E+01 volume  0.72572E-03 ppm1      8.397 ppm2      1.239 CV     1
 ASSI { 1167}
   (( segid " 1SG" and resid 8    and name HN  ))
   (  segid " 1SG" and resid 7    and name HD% )
      4.700     2.700     1.300 peak  1167 spectrum    1 weight  0.10000E+01 volume  0.72420E-03 ppm1      9.051 ppm2      7.309 CV     1
 ASSI { 1168}
   (( segid " 1SG" and resid 67   and name HN  ))
   (  segid " 1SG" and resid 69   and name HG2%)
      4.500     2.500     1.500 peak  1168 spectrum    1 weight  0.10000E+01 volume  0.72409E-03 ppm1      7.424 ppm2      0.850 CV     1
 OR { 1168}
   (( segid " 1SG" and resid 67   and name HN  ))
   (  segid " 1SG" and resid 69   and name HG1%)
 ASSI { 1170}
   (( segid " 1SG" and resid 12   and name HE21))
   (  segid " 1SG" and resid 102  and name HE% )
      3.900     3.900     2.100 peak  1170 spectrum    1 weight  0.10000E+01 volume  0.72343E-03 ppm1      7.462 ppm2      7.083 CV     1
 ASSI { 1172}
   (( segid " 1SG" and resid 86   and name HN  ))
   (( segid " 1SG" and resid 85   and name HN  ))
      3.900     1.900     1.900 peak  1172 spectrum    1 weight  0.10000E+01 volume  0.72323E-03 ppm1      7.948 ppm2      9.406 CV     1
 ASSI { 1173}
   (( segid " 1SG" and resid 90   and name HN  ))
   (( segid " 1SG" and resid 41   and name HA  ))
      4.200     2.200     1.800 peak  1173 spectrum    1 weight  0.10000E+01 volume  0.72124E-03 ppm1      9.490 ppm2      5.471 CV     1
 ASSI { 1174}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB1 ))
      4.600     2.600     1.400 peak  1174 spectrum    1 weight  0.10000E+01 volume  0.72119E-03 ppm1      7.198 ppm2      2.395 CV     1
 OR { 1174}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB2 ))
 ASSI { 1175}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 73   and name HB2 ))
      3.700     1.700     1.700 peak  1175 spectrum    1 weight  0.10000E+01 volume  0.72114E-03 ppm1      8.688 ppm2      1.552 CV     1
 ASSI { 1181}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 99   and name HB2 ))
      3.900     1.900     1.900 peak  1181 spectrum    1 weight  0.10000E+01 volume  0.71681E-03 ppm1      9.230 ppm2      2.737 CV     1
 ASSI { 1183}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HA  ))
      3.400     1.500     1.500 peak  1183 spectrum    1 weight  0.10000E+01 volume  0.71656E-03 ppm1      8.888 ppm2      5.828 CV     1
 ASSI { 1184}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 105  and name HN  ))
      3.800     1.800     1.800 peak  1184 spectrum    1 weight  0.10000E+01 volume  0.71646E-03 ppm1      9.178 ppm2      8.396 CV     1
 ASSI { 1187}
   (( segid " 1SG" and resid 17   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      4.500     2.500     1.500 peak  1187 spectrum    1 weight  0.10000E+01 volume  0.71549E-03 ppm1      7.900 ppm2      1.179 CV     1
 ASSI { 1192}
   (( segid " 1SG" and resid 9    and name HN  ))
   (  segid " 1SG" and resid 7    and name HD% )
      4.000     2.000     2.000 peak  1192 spectrum    1 weight  0.10000E+01 volume  0.71315E-03 ppm1      7.892 ppm2      7.309 CV     1
 ASSI { 1193}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 96   and name HG1 ))
      4.800     2.900     1.200 peak  1193 spectrum    1 weight  0.10000E+01 volume  0.71030E-03 ppm1      7.973 ppm2      1.317 CV     1
 OR { 1193}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 96   and name HG2 ))
 ASSI { 1194}
   (( segid " 1SG" and resid 60   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD2%)
      4.200     2.200     1.800 peak  1194 spectrum    1 weight  0.10000E+01 volume  0.70821E-03 ppm1      8.688 ppm2      0.407 CV     1
 OR { 1194}
   (( segid " 1SG" and resid 60   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI { 1199}
   (( segid " 1SG" and resid 70   and name HN  ))
   (( segid " 1SG" and resid 29   and name HA  ))
      4.300     2.300     1.700 peak  1199 spectrum    1 weight  0.10000E+01 volume  0.70755E-03 ppm1      9.269 ppm2      4.385 CV     1
 ASSI { 1201}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 81   and name HA  ))
      5.500     3.700     0.500 peak  1201 spectrum    1 weight  0.10000E+01 volume  0.70607E-03 ppm1      8.150 ppm2      3.988 CV     1
 ASSI { 1205}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (  segid " 1SG" and resid 74   and name HD2%)
      4.000     2.000     2.000 peak  1205 spectrum    1 weight  0.10000E+01 volume  0.70480E-03 ppm1     10.782 ppm2      0.402 CV     1
 OR { 1205}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI { 1210}
   (( segid " 1SG" and resid 29   and name HN  ))
   (( segid " 1SG" and resid 28   and name HB  ))
      4.200     2.200     1.800 peak  1210 spectrum    1 weight  0.10000E+01 volume  0.69996E-03 ppm1      8.854 ppm2      1.961 CV     1
 ASSI { 1211}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 82   and name HN  ))
      3.400     1.500     1.500 peak  1211 spectrum    1 weight  0.10000E+01 volume  0.69981E-03 ppm1      8.254 ppm2      8.025 CV     1
 ASSI { 1213}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 43   and name HB2 ))
      4.200     2.200     1.800 peak  1213 spectrum    1 weight  0.10000E+01 volume  0.69604E-03 ppm1      8.211 ppm2      1.213 CV     1
 ASSI { 1214}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 15   and name HB2 ))
      4.700     2.700     1.300 peak  1214 spectrum    1 weight  0.10000E+01 volume  0.69574E-03 ppm1      8.404 ppm2      2.024 CV     1
 OR { 1214}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 15   and name HB1 ))
 ASSI { 1217}
   (( segid " 1SG" and resid 76   and name HN  ))
   (( segid " 1SG" and resid 77   and name HN  ))
      4.100     2.100     1.900 peak  1217 spectrum    1 weight  0.10000E+01 volume  0.69360E-03 ppm1      8.925 ppm2      8.720 CV     1
 ASSI { 1218}
   (( segid " 1SG" and resid 80   and name HE21))
   (( segid " 1SG" and resid 80   and name HA  ))
      3.600     1.600     1.600 peak  1218 spectrum    1 weight  0.10000E+01 volume  0.69238E-03 ppm1      6.979 ppm2      4.637 CV     1
 ASSI { 1219}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 26   and name HN  ))
      4.300     2.300     1.700 peak  1219 spectrum    1 weight  0.10000E+01 volume  0.69218E-03 ppm1      8.401 ppm2      9.500 CV     1
 ASSI { 1222}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 93   and name HB  ))
      3.700     1.700     1.700 peak  1222 spectrum    1 weight  0.10000E+01 volume  0.68958E-03 ppm1      7.972 ppm2      4.556 CV     1
 ASSI { 1224}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 68   and name HG1 ))
      5.200     3.400     0.800 peak  1224 spectrum    1 weight  0.10000E+01 volume  0.68876E-03 ppm1      7.423 ppm2      1.256 CV     1
 OR { 1224}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 68   and name HG2 ))
 ASSI { 1225}
   (( segid " 1SG" and resid 96   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD1%)
      4.200     2.200     1.800 peak  1225 spectrum    1 weight  0.10000E+01 volume  0.68820E-03 ppm1      7.544 ppm2      0.653 CV     1
 ASSI { 1226}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 60   and name HB2 ))
      3.600     1.600     1.600 peak  1226 spectrum    1 weight  0.10000E+01 volume  0.68678E-03 ppm1      9.449 ppm2      2.977 CV     1
 ASSI { 1228}
   (( segid " 1SG" and resid 108  and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.800     1.800     1.800 peak  1228 spectrum    1 weight  0.10000E+01 volume  0.68393E-03 ppm1      8.564 ppm2      0.370 CV     1
 ASSI { 1230}
   (( segid " 1SG" and resid 30   and name HN  ))
   (( segid " 1SG" and resid 70   and name HN  ))
      3.900     1.900     1.900 peak  1230 spectrum    1 weight  0.10000E+01 volume  0.68092E-03 ppm1      8.593 ppm2      9.275 CV     1
 ASSI { 1231}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 24   and name HN  ))
      4.300     2.300     1.700 peak  1231 spectrum    1 weight  0.10000E+01 volume  0.68082E-03 ppm1      8.400 ppm2      9.240 CV     1
 ASSI { 1232}
   (( segid " 1SG" and resid 83   and name HN  ))
   (  segid " 1SG" and resid 83   and name HE% )
      4.900     3.000     1.100 peak  1232 spectrum    1 weight  0.10000E+01 volume  0.68067E-03 ppm1      8.256 ppm2      7.263 CV     1
 ASSI { 1238}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 58   and name HG2 ))
      4.400     2.400     1.600 peak  1238 spectrum    1 weight  0.10000E+01 volume  0.67639E-03 ppm1      9.148 ppm2      1.803 CV     1
 ASSI { 1239}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 40   and name HD2 ))
      4.100     2.100     1.900 peak  1239 spectrum    1 weight  0.10000E+01 volume  0.67471E-03 ppm1      9.110 ppm2      1.698 CV     1
 OR { 1239}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 40   and name HD1 ))
 ASSI { 1241}
   (( segid " 1SG" and resid 108  and name HN  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      2.900     2.900     3.100 peak  1241 spectrum    1 weight  0.10000E+01 volume  0.67431E-03 ppm1      8.565 ppm2      1.285 CV     1
 ASSI { 1245}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 41   and name HD1 ))
      4.000     2.000     2.000 peak  1245 spectrum    1 weight  0.10000E+01 volume  0.67237E-03 ppm1      8.690 ppm2      7.122 CV     1
 ASSI { 1247}
   (( segid " 1SG" and resid 58   and name HE22))
   (( segid " 1SG" and resid 77   and name HB  ))
      4.500     2.500     1.500 peak  1247 spectrum    1 weight  0.10000E+01 volume  0.67161E-03 ppm1      6.686 ppm2      4.009 CV     1
 ASSI { 1249}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 7    and name HB2 ))
      2.900     2.900     3.100 peak  1249 spectrum    1 weight  0.10000E+01 volume  0.67085E-03 ppm1      9.229 ppm2      2.578 CV     1
 ASSI { 1250}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 77   and name HN  ))
      5.000     3.100     1.000 peak  1250 spectrum    1 weight  0.10000E+01 volume  0.67049E-03 ppm1      8.944 ppm2      8.717 CV     1
 ASSI { 1258}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 74   and name HN  ))
      4.300     2.300     1.700 peak  1258 spectrum    1 weight  0.10000E+01 volume  0.66555E-03 ppm1      9.450 ppm2      8.472 CV     1
 ASSI { 1260}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 42   and name HB2 ))
      4.500     2.600     1.500 peak  1260 spectrum    1 weight  0.10000E+01 volume  0.66443E-03 ppm1      9.287 ppm2      2.479 CV     1
 ASSI { 1263}
   (( segid " 1SG" and resid 73   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD2%)
      4.500     2.500     1.500 peak  1263 spectrum    1 weight  0.10000E+01 volume  0.66153E-03 ppm1      9.448 ppm2      0.742 CV     1
 ASSI { 1264}
   (( segid " 1SG" and resid 80   and name HE22))
   (( segid " 1SG" and resid 80   and name HA  ))
      5.200     3.400     0.800 peak  1264 spectrum    1 weight  0.10000E+01 volume  0.66036E-03 ppm1      6.643 ppm2      4.635 CV     1
 ASSI { 1268}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 89   and name HA  ))
      3.600     1.600     1.600 peak  1268 spectrum    1 weight  0.10000E+01 volume  0.65929E-03 ppm1      8.977 ppm2      4.944 CV     1
 ASSI { 1269}
   (( segid " 1SG" and resid 73   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD1%)
      4.000     2.000     2.000 peak  1269 spectrum    1 weight  0.10000E+01 volume  0.65924E-03 ppm1      9.452 ppm2      0.839 CV     1
 ASSI { 1270}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 57   and name HG  ))
      4.500     2.500     1.500 peak  1270 spectrum    1 weight  0.10000E+01 volume  0.65898E-03 ppm1      9.018 ppm2      0.750 CV     1
 ASSI { 1272}
   (( segid " 1SG" and resid 53   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD1%)
      5.300     3.600     0.700 peak  1272 spectrum    1 weight  0.10000E+01 volume  0.65817E-03 ppm1      6.765 ppm2      0.861 CV     1
 ASSI { 1273}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 98   and name HB2 ))
      4.700     2.800     1.300 peak  1273 spectrum    1 weight  0.10000E+01 volume  0.65766E-03 ppm1      9.229 ppm2      2.289 CV     1
 ASSI { 1274}
   (( segid " 1SG" and resid 16   and name HN  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      4.500     2.600     1.500 peak  1274 spectrum    1 weight  0.10000E+01 volume  0.65730E-03 ppm1      8.594 ppm2      1.286 CV     1
 ASSI { 1276}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 71   and name HA  ))
      4.100     2.100     1.900 peak  1276 spectrum    1 weight  0.10000E+01 volume  0.65669E-03 ppm1      9.674 ppm2      5.062 CV     1
 ASSI { 1277}
   (( segid " 1SG" and resid 76   and name HN  ))
   (( segid " 1SG" and resid 75   and name HN  ))
      4.000     2.000     2.000 peak  1277 spectrum    1 weight  0.10000E+01 volume  0.65659E-03 ppm1      8.928 ppm2      9.150 CV     1
 ASSI { 1285}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 17   and name HN  ))
      3.700     1.800     1.800 peak  1285 spectrum    1 weight  0.10000E+01 volume  0.64794E-03 ppm1      8.829 ppm2      7.897 CV     1
 ASSI { 1286}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 65   and name HA  ))
      4.300     2.300     1.700 peak  1286 spectrum    1 weight  0.10000E+01 volume  0.64789E-03 ppm1      7.422 ppm2      3.445 CV     1
 ASSI { 1287}
   (( segid " 1SG" and resid 22   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      4.300     2.300     1.700 peak  1287 spectrum    1 weight  0.10000E+01 volume  0.64789E-03 ppm1      8.892 ppm2      1.182 CV     1
 ASSI { 1288}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 67   and name HA  ))
      4.800     2.900     1.200 peak  1288 spectrum    1 weight  0.10000E+01 volume  0.64748E-03 ppm1      8.107 ppm2      4.299 CV     1
 ASSI { 1290}
   (( segid " 1SG" and resid 70   and name HN  ))
   (( segid " 1SG" and resid 28   and name HB  ))
      3.700     1.700     1.700 peak  1290 spectrum    1 weight  0.10000E+01 volume  0.64728E-03 ppm1      9.273 ppm2      1.954 CV     1
 ASSI { 1292}
   (( segid " 1SG" and resid 101  and name HD22))
   (( segid " 1SG" and resid 101  and name HB2 ))
      4.400     2.500     1.600 peak  1292 spectrum    1 weight  0.10000E+01 volume  0.64509E-03 ppm1      6.724 ppm2      2.692 CV     1
 ASSI { 1295}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 83   and name HA  ))
      3.800     1.800     1.800 peak  1295 spectrum    1 weight  0.10000E+01 volume  0.64249E-03 ppm1     10.109 ppm2      4.613 CV     1
 ASSI { 1296}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB1 ))
      4.500     2.500     1.500 peak  1296 spectrum    1 weight  0.10000E+01 volume  0.64239E-03 ppm1      9.024 ppm2      2.399 CV     1
 OR { 1296}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB2 ))
 ASSI { 1298}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 37   and name HB2 ))
      4.500     2.600     1.500 peak  1298 spectrum    1 weight  0.10000E+01 volume  0.64188E-03 ppm1      8.737 ppm2      1.365 CV     1
 OR { 1298}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 37   and name HG2 ))
 ASSI { 1299}
   (( segid " 1SG" and resid 7    and name HN  ))
   (  segid " 1SG" and resid 6    and name HD1%)
      4.600     2.700     1.400 peak  1299 spectrum    1 weight  0.10000E+01 volume  0.64168E-03 ppm1      8.875 ppm2      0.650 CV     1
 ASSI { 1301}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 106  and name HN  ))
      4.400     2.400     1.600 peak  1301 spectrum    1 weight  0.10000E+01 volume  0.64152E-03 ppm1      8.826 ppm2      8.159 CV     1
 ASSI { 1302}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 84   and name HA  ))
      3.900     1.900     1.900 peak  1302 spectrum    1 weight  0.10000E+01 volume  0.64020E-03 ppm1      8.799 ppm2      4.230 CV     1
 ASSI { 1306}
   (( segid " 1SG" and resid 40   and name HN  ))
   (  segid " 1SG" and resid 38   and name HG2%)
      4.500     2.500     1.500 peak  1306 spectrum    1 weight  0.10000E+01 volume  0.63653E-03 ppm1      8.688 ppm2      0.784 CV     1
 ASSI { 1310}
   (( segid " 1SG" and resid 93   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD1%)
      4.400     2.400     1.600 peak  1310 spectrum    1 weight  0.10000E+01 volume  0.63435E-03 ppm1      8.555 ppm2      0.652 CV     1
 ASSI { 1311}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 46   and name HB2 ))
      4.500     2.600     1.500 peak  1311 spectrum    1 weight  0.10000E+01 volume  0.63404E-03 ppm1     10.115 ppm2      3.057 CV     1
 ASSI { 1312}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      4.200     2.200     1.800 peak  1312 spectrum    1 weight  0.10000E+01 volume  0.63272E-03 ppm1      9.149 ppm2      1.436 CV     1
 ASSI { 1314}
   (( segid " 1SG" and resid 42   and name HN  ))
   (( segid " 1SG" and resid 41   and name HN  ))
      4.600     2.700     1.400 peak  1314 spectrum    1 weight  0.10000E+01 volume  0.63119E-03 ppm1      9.445 ppm2      9.310 CV     1
 ASSI { 1315}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 101  and name HA  ))
      4.100     2.100     1.900 peak  1315 spectrum    1 weight  0.10000E+01 volume  0.63109E-03 ppm1      8.979 ppm2      5.507 CV     1
 ASSI { 1317}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 45   and name HA  ))
      4.800     2.900     1.200 peak  1317 spectrum    1 weight  0.10000E+01 volume  0.62880E-03 ppm1     10.118 ppm2      3.497 CV     1
 ASSI { 1319}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 57   and name HA  ))
      4.100     2.100     1.900 peak  1319 spectrum    1 weight  0.10000E+01 volume  0.62783E-03 ppm1      9.150 ppm2      5.401 CV     1
 ASSI { 1320}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 45   and name HE2 ))
      4.000     2.000     2.000 peak  1320 spectrum    1 weight  0.10000E+01 volume  0.62757E-03 ppm1     10.108 ppm2      2.594 CV     1
 ASSI { 1323}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 58   and name HA  ))
      3.900     1.900     1.900 peak  1323 spectrum    1 weight  0.10000E+01 volume  0.62590E-03 ppm1      7.436 ppm2      4.650 CV     1
 ASSI { 1325}
   (( segid " 1SG" and resid 10   and name HN  ))
   (( segid " 1SG" and resid 10   and name HA  ))
      3.600     1.600     1.600 peak  1325 spectrum    1 weight  0.10000E+01 volume  0.62401E-03 ppm1      8.852 ppm2      4.315 CV     1
 ASSI { 1332}
   (( segid " 1SG" and resid 80   and name HN  ))
   (( segid " 1SG" and resid 80   and name HG2 ))
      4.800     2.900     1.200 peak  1332 spectrum    1 weight  0.10000E+01 volume  0.62004E-03 ppm1      5.579 ppm2      2.159 CV     1
 OR { 1332}
   (( segid " 1SG" and resid 80   and name HN  ))
   (( segid " 1SG" and resid 80   and name HG1 ))
 ASSI { 1333}
   (( segid " 1SG" and resid 21   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      4.300     2.300     1.700 peak  1333 spectrum    1 weight  0.10000E+01 volume  0.61928E-03 ppm1      8.168 ppm2      1.177 CV     1
 ASSI { 1335}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 89   and name HA  ))
      4.400     2.400     1.600 peak  1335 spectrum    1 weight  0.10000E+01 volume  0.61780E-03 ppm1      8.689 ppm2      4.943 CV     1
 ASSI { 1341}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 88   and name HA  ))
      3.500     1.500     1.500 peak  1341 spectrum    1 weight  0.10000E+01 volume  0.61179E-03 ppm1      9.108 ppm2      5.308 CV     1
 ASSI { 1347}
   (( segid " 1SG" and resid 29   and name HN  ))
   (( segid " 1SG" and resid 30   and name HN  ))
      3.300     1.400     1.400 peak  1347 spectrum    1 weight  0.10000E+01 volume  0.37344E-02 ppm1      8.854 ppm2      8.595 CV     1
 ASSI { 1348}
   (( segid " 1SG" and resid 102  and name HN  ))
   (( segid " 1SG" and resid 103  and name HN  ))
      3.100     1.200     1.200 peak  1348 spectrum    1 weight  0.10000E+01 volume  0.37364E-02 ppm1      8.557 ppm2      9.245 CV     1
 ASSI { 1349}
   (( segid " 1SG" and resid 42   and name HN  ))
   (( segid " 1SG" and resid 42   and name HA  ))
      2.700     0.900     0.900 peak  1349 spectrum    1 weight  0.10000E+01 volume  0.37344E-02 ppm1      9.447 ppm2      5.780 CV     1
 ASSI { 1351}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 14   and name HN  ))
      3.400     1.400     1.400 peak  1351 spectrum    1 weight  0.10000E+01 volume  0.37344E-02 ppm1      8.317 ppm2      9.191 CV     1
 ASSI { 1352}
   (( segid " 1SG" and resid 94   and name HN  ))
   (( segid " 1SG" and resid 94   and name HB2 ))
      3.200     1.300     1.300 peak  1352 spectrum    1 weight  0.10000E+01 volume  0.37344E-02 ppm1      8.330 ppm2      1.778 CV     1
 ASSI { 1353}
   (( segid " 1SG" and resid 93   and name HN  ))
   (( segid " 1SG" and resid 93   and name HB  ))
      2.600     0.900     0.900 peak  1353 spectrum    1 weight  0.10000E+01 volume  0.37344E-02 ppm1      8.558 ppm2      4.550 CV     1
 ASSI { 1354}
   (( segid " 1SG" and resid 5    and name HN  ))
   (( segid " 1SG" and resid 5    and name HA1 ))
      2.600     0.800     0.800 peak  1354 spectrum    1 weight  0.10000E+01 volume  0.37344E-02 ppm1      8.141 ppm2      3.855 CV     1
 OR { 1354}
   (( segid " 1SG" and resid 5    and name HN  ))
   (( segid " 1SG" and resid 5    and name HA2 ))
 ASSI { 1356}
   (( segid " 1SG" and resid 56   and name HN  ))
   (( segid " 1SG" and resid 56   and name HA  ))
      2.800     1.000     1.000 peak  1356 spectrum    1 weight  0.10000E+01 volume  0.37344E-02 ppm1      8.385 ppm2      4.970 CV     1
 ASSI { 1358}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 8    and name HN  ))
      2.600     0.800     0.800 peak  1358 spectrum    1 weight  0.10000E+01 volume  0.37344E-02 ppm1      7.892 ppm2      9.052 CV     1
 ASSI { 1360}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 98   and name HN  ))
      3.300     1.400     1.400 peak  1360 spectrum    1 weight  0.10000E+01 volume  0.37344E-02 ppm1      8.056 ppm2      8.423 CV     1
 ASSI { 1361}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 104  and name HN  ))
      3.200     1.300     1.300 peak  1361 spectrum    1 weight  0.10000E+01 volume  0.37364E-02 ppm1      9.242 ppm2      8.788 CV     1
 ASSI { 1363}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB1 ))
      4.000     2.000     2.000 peak  1363 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      9.288 ppm2      1.696 CV     1
 OR { 1363}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB2 ))
 ASSI { 1365}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 35   and name HB1 ))
      3.200     1.300     1.300 peak  1365 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      7.510 ppm2      1.779 CV     1
 OR { 1365}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 35   and name HB2 ))
 ASSI { 1366}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 35   and name HE2 ))
      3.400     1.500     1.500 peak  1366 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      7.510 ppm2      2.950 CV     1
 OR { 1366}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 35   and name HE1 ))
 ASSI { 1369}
   (( segid " 1SG" and resid 45   and name HN  ))
   (( segid " 1SG" and resid 45   and name HB2 ))
      2.600     0.900     0.900 peak  1369 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      8.195 ppm2      0.606 CV     1
 OR { 1369}
   (( segid " 1SG" and resid 45   and name HN  ))
   (( segid " 1SG" and resid 45   and name HG2 ))
 ASSI { 1371}
   (( segid " 1SG" and resid 94   and name HN  ))
   (( segid " 1SG" and resid 94   and name HA  ))
      2.500     0.800     0.800 peak  1371 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      8.337 ppm2      4.042 CV     1
 ASSI { 1373}
   (( segid " 1SG" and resid 18   and name HN  ))
   (  segid " 1SG" and resid 18   and name HG1%)
      3.500     1.500     1.500 peak  1373 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      8.005 ppm2      0.992 CV     1
 ASSI { 1374}
   (( segid " 1SG" and resid 53   and name HN  ))
   (  segid " 1SG" and resid 53   and name HG1%)
      3.600     1.600     1.600 peak  1374 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      6.764 ppm2      1.120 CV     1
 ASSI { 1376}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 21   and name HB2 ))
      3.700     1.700     1.700 peak  1376 spectrum    1 weight  0.10000E+01 volume  0.37364E-02 ppm1      8.053 ppm2      3.751 CV     1
 ASSI { 1379}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 62   and name HN  ))
      3.800     1.800     1.800 peak  1379 spectrum    1 weight  0.10000E+01 volume  0.37344E-02 ppm1      9.447 ppm2      8.851 CV     1
 ASSI { 1380}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 64   and name HN  ))
      3.200     1.300     1.300 peak  1380 spectrum    1 weight  0.10000E+01 volume  0.37344E-02 ppm1      8.721 ppm2      7.751 CV     1
 ASSI { 1381}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 87   and name HN  ))
      3.000     1.100     1.100 peak  1381 spectrum    1 weight  0.10000E+01 volume  0.37344E-02 ppm1      8.792 ppm2      9.113 CV     1
 ASSI { 1384}
   (( segid " 1SG" and resid 98   and name HN  ))
   (( segid " 1SG" and resid 98   and name HA  ))
      2.800     1.000     1.000 peak  1384 spectrum    1 weight  0.10000E+01 volume  0.37344E-02 ppm1      8.417 ppm2      4.696 CV     1
 ASSI { 1385}
   (( segid " 1SG" and resid 80   and name HN  ))
   (( segid " 1SG" and resid 80   and name HA  ))
      2.700     0.900     0.900 peak  1385 spectrum    1 weight  0.10000E+01 volume  0.37344E-02 ppm1      5.581 ppm2      4.644 CV     1
 ASSI { 1386}
   (( segid " 1SG" and resid 12   and name HN  ))
   (( segid " 1SG" and resid 12   and name HA  ))
      2.700     0.900     0.900 peak  1386 spectrum    1 weight  0.10000E+01 volume  0.37344E-02 ppm1      8.345 ppm2      4.679 CV     1
 ASSI { 1391}
   (( segid " 1SG" and resid 101  and name HN  ))
   (( segid " 1SG" and resid 101  and name HA  ))
      2.600     0.900     0.900 peak  1391 spectrum    1 weight  0.10000E+01 volume  0.37344E-02 ppm1      9.044 ppm2      5.506 CV     1
 ASSI { 1393}
   (( segid " 1SG" and resid 91   and name HN  ))
   (( segid " 1SG" and resid 90   and name HA  ))
      2.500     0.800     0.800 peak  1393 spectrum    1 weight  0.10000E+01 volume  0.37344E-02 ppm1      8.474 ppm2      4.789 CV     1
 ASSI { 1395}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 49   and name HN  ))
      2.800     1.000     1.000 peak  1395 spectrum    1 weight  0.10000E+01 volume  0.37344E-02 ppm1      8.632 ppm2      9.291 CV     1
 ASSI { 1397}
   (( segid " 1SG" and resid 33   and name HN  ))
   (( segid " 1SG" and resid 33   and name HA  ))
      2.800     1.000     1.000 peak  1397 spectrum    1 weight  0.10000E+01 volume  0.37344E-02 ppm1      7.614 ppm2      4.456 CV     1
 ASSI { 1398}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 40   and name HN  ))
      3.200     1.300     1.300 peak  1398 spectrum    1 weight  0.10000E+01 volume  0.37344E-02 ppm1      9.308 ppm2      8.696 CV     1
 ASSI { 1399}
   (( segid " 1SG" and resid 6    and name HN  ))
   (( segid " 1SG" and resid 5    and name HN  ))
      2.200     0.600     0.600 peak  1399 spectrum    1 weight  0.10000E+01 volume  0.37364E-02 ppm1      8.450 ppm2      8.143 CV     1
 ASSI { 1400}
   (( segid " 1SG" and resid 8    and name HN  ))
   (( segid " 1SG" and resid 29   and name HN  ))
      2.900     1.100     1.100 peak  1400 spectrum    1 weight  0.10000E+01 volume  0.37364E-02 ppm1      9.053 ppm2      8.853 CV     1
 ASSI { 1401}
   (( segid " 1SG" and resid 7    and name HN  ))
   (( segid " 1SG" and resid 8    and name HN  ))
      3.000     1.200     1.200 peak  1401 spectrum    1 weight  0.10000E+01 volume  0.37364E-02 ppm1      8.874 ppm2      9.052 CV     1
 ASSI { 1404}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 13   and name HN  ))
      3.300     1.300     1.300 peak  1404 spectrum    1 weight  0.10000E+01 volume  0.37364E-02 ppm1      9.241 ppm2      8.316 CV     1
 ASSI { 1406}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 48   and name HN  ))
      3.200     1.200     1.200 peak  1406 spectrum    1 weight  0.10000E+01 volume  0.37364E-02 ppm1      9.290 ppm2      8.397 CV     1
 ASSI { 1407}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 50   and name HN  ))
      3.300     1.400     1.400 peak  1407 spectrum    1 weight  0.10000E+01 volume  0.37364E-02 ppm1      7.786 ppm2      8.941 CV     1
 ASSI { 1408}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 51   and name HN  ))
      3.400     1.400     1.400 peak  1408 spectrum    1 weight  0.10000E+01 volume  0.37364E-02 ppm1      6.764 ppm2      7.881 CV     1
 ASSI { 1409}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 51   and name HA  ))
      2.900     1.100     1.100 peak  1409 spectrum    1 weight  0.10000E+01 volume  0.37364E-02 ppm1      7.784 ppm2      4.557 CV     1
 ASSI { 1411}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 58   and name HN  ))
      3.100     1.200     1.200 peak  1411 spectrum    1 weight  0.10000E+01 volume  0.37364E-02 ppm1      7.198 ppm2      8.954 CV     1
 ASSI { 1412}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 60   and name HN  ))
      3.200     1.300     1.300 peak  1412 spectrum    1 weight  0.10000E+01 volume  0.37364E-02 ppm1      9.151 ppm2      8.693 CV     1
 ASSI { 1413}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 64   and name HN  ))
      3.300     1.300     1.300 peak  1413 spectrum    1 weight  0.10000E+01 volume  0.37364E-02 ppm1      8.305 ppm2      7.754 CV     1
 ASSI { 1414}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 70   and name HN  ))
      3.100     1.200     1.200 peak  1414 spectrum    1 weight  0.10000E+01 volume  0.37364E-02 ppm1      8.724 ppm2      9.271 CV     1
 ASSI { 1417}
   (( segid " 1SG" and resid 72   and name HN  ))
   (( segid " 1SG" and resid 28   and name HN  ))
      3.300     1.400     1.400 peak  1417 spectrum    1 weight  0.10000E+01 volume  0.37364E-02 ppm1      9.295 ppm2      9.670 CV     1
 ASSI { 1419}
   (( segid " 1SG" and resid 76   and name HN  ))
   (( segid " 1SG" and resid 76   and name HA  ))
      2.500     0.800     0.800 peak  1419 spectrum    1 weight  0.10000E+01 volume  0.37364E-02 ppm1      8.925 ppm2      4.988 CV     1
 ASSI { 1420}
   (( segid " 1SG" and resid 84   and name HN  ))
   (( segid " 1SG" and resid 83   and name HA  ))
      2.700     0.900     0.900 peak  1420 spectrum    1 weight  0.10000E+01 volume  0.37364E-02 ppm1      7.866 ppm2      4.601 CV     1
 ASSI { 1422}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 100  and name HN  ))
      2.700     0.900     0.900 peak  1422 spectrum    1 weight  0.10000E+01 volume  0.37364E-02 ppm1      8.979 ppm2      8.906 CV     1
 ASSI { 1423}
   (( segid " 1SG" and resid 91   and name HN  ))
   (( segid " 1SG" and resid 91   and name HA  ))
      2.500     0.800     0.800 peak  1423 spectrum    1 weight  0.10000E+01 volume  0.37364E-02 ppm1      8.474 ppm2      4.739 CV     1
 ASSI { 1424}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 97   and name HN  ))
      3.100     1.200     1.200 peak  1424 spectrum    1 weight  0.10000E+01 volume  0.37364E-02 ppm1      7.549 ppm2      8.059 CV     1
 ASSI { 1426}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 15   and name HA  ))
      2.600     0.800     0.800 peak  1426 spectrum    1 weight  0.10000E+01 volume  0.37364E-02 ppm1      8.399 ppm2      5.489 CV     1
 ASSI { 1428}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 104  and name HN  ))
      3.200     1.300     1.300 peak  1428 spectrum    1 weight  0.10000E+01 volume  0.37364E-02 ppm1      8.400 ppm2      8.792 CV     1
 ASSI { 1429}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 105  and name HN  ))
      3.000     1.100     1.100 peak  1429 spectrum    1 weight  0.10000E+01 volume  0.37364E-02 ppm1      8.150 ppm2      8.402 CV     1
 ASSI { 1430}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 85   and name HN  ))
      3.100     1.200     1.200 peak  1430 spectrum    1 weight  0.10000E+01 volume  0.37364E-02 ppm1      8.149 ppm2      9.408 CV     1
 ASSI { 1433}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 106  and name HA  ))
      2.600     0.800     0.800 peak  1433 spectrum    1 weight  0.10000E+01 volume  0.37364E-02 ppm1      8.151 ppm2      4.725 CV     1
 ASSI { 1434}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 65   and name HA  ))
      3.100     1.200     1.200 peak  1434 spectrum    1 weight  0.10000E+01 volume  0.37364E-02 ppm1      6.900 ppm2      3.449 CV     1
 ASSI { 1435}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 78   and name HN  ))
      3.900     1.900     1.900 peak  1435 spectrum    1 weight  0.10000E+01 volume  0.37364E-02 ppm1      8.889 ppm2      8.054 CV     1
 ASSI { 1437}
   (( segid " 1SG" and resid 19   and name HN  ))
   (( segid " 1SG" and resid 20   and name HA1 ))
      3.800     1.800     1.800 peak  1437 spectrum    1 weight  0.10000E+01 volume  0.37364E-02 ppm1      9.827 ppm2      3.729 CV     1
 ASSI { 1438}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 37   and name HA  ))
      3.200     1.200     1.200 peak  1438 spectrum    1 weight  0.10000E+01 volume  0.37364E-02 ppm1      8.735 ppm2      4.487 CV     1
 ASSI { 1439}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 39   and name HA  ))
      3.200     1.300     1.300 peak  1439 spectrum    1 weight  0.10000E+01 volume  0.37364E-02 ppm1      8.735 ppm2      4.801 CV     1
 ASSI { 1440}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 43   and name HA  ))
      3.000     1.200     1.200 peak  1440 spectrum    1 weight  0.10000E+01 volume  0.37364E-02 ppm1      9.108 ppm2      4.132 CV     1
 ASSI { 1441}
   (( segid " 1SG" and resid 86   and name HN  ))
   (( segid " 1SG" and resid 103  and name HA  ))
      3.200     1.200     1.200 peak  1441 spectrum    1 weight  0.10000E+01 volume  0.37364E-02 ppm1      7.948 ppm2      5.544 CV     1
 ASSI { 1442}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 48   and name HA  ))
      2.700     0.900     0.900 peak  1442 spectrum    1 weight  0.10000E+01 volume  0.37364E-02 ppm1      8.628 ppm2      4.192 CV     1
 ASSI { 1443}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 86   and name HA2 ))
      3.100     1.200     1.200 peak  1443 spectrum    1 weight  0.10000E+01 volume  0.37364E-02 ppm1      8.796 ppm2      4.658 CV     1
 ASSI { 1445}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 102  and name HA  ))
      3.000     1.100     1.100 peak  1445 spectrum    1 weight  0.10000E+01 volume  0.37364E-02 ppm1      8.313 ppm2      4.987 CV     1
 ASSI { 1446}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 9    and name HB2 ))
      2.900     1.000     1.000 peak  1446 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      7.887 ppm2      1.892 CV     1
 ASSI { 1447}
   (( segid " 1SG" and resid 80   and name HN  ))
   (( segid " 1SG" and resid 80   and name HB2 ))
      2.600     0.800     0.800 peak  1447 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      5.579 ppm2      1.960 CV     1
 OR { 1447}
   (( segid " 1SG" and resid 80   and name HN  ))
   (( segid " 1SG" and resid 80   and name HB1 ))
 ASSI { 1448}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 23   and name HN  ))
      3.200     1.300     1.300 peak  1448 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      9.239 ppm2      7.917 CV     1
 ASSI { 1449}
   (( segid " 1SG" and resid 42   and name HN  ))
   (( segid " 1SG" and resid 41   and name HD1 ))
      3.600     3.600     2.400 peak  1449 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      9.447 ppm2      7.131 CV     1
 ASSI { 1450}
   (( segid " 1SG" and resid 46   and name HN  ))
   (( segid " 1SG" and resid 46   and name HD1 ))
      2.700     0.900     0.900 peak  1450 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      8.216 ppm2      7.132 CV     1
 ASSI { 1452}
   (( segid " 1SG" and resid 56   and name HN  ))
   (( segid " 1SG" and resid 56   and name HB2 ))
      3.300     1.400     1.400 peak  1452 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      8.383 ppm2      3.101 CV     1
 ASSI { 1453}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 103  and name HB2 ))
      3.200     3.200     2.800 peak  1453 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      9.184 ppm2      2.498 CV     1
 ASSI { 1455}
   (( segid " 1SG" and resid 86   and name HN  ))
   (  segid " 1SG" and resid 87   and name HD% )
      2.900     1.000     1.000 peak  1455 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      7.948 ppm2      6.794 CV     1
 ASSI { 1456}
   (( segid " 1SG" and resid 86   and name HN  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      3.000     3.000     3.000 peak  1456 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      7.946 ppm2      1.498 CV     1
 ASSI { 1458}
   (( segid " 1SG" and resid 5    and name HN  ))
   (( segid " 1SG" and resid 96   and name HB2 ))
      3.400     1.500     1.500 peak  1458 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      8.144 ppm2      1.572 CV     1
 ASSI { 1459}
   (( segid " 1SG" and resid 5    and name HN  ))
   (( segid " 1SG" and resid 4    and name HG12))
      3.600     1.700     1.700 peak  1459 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      8.143 ppm2      1.230 CV     1
 ASSI { 1460}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 64   and name HB2 ))
      2.600     0.900     0.900 peak  1460 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      7.421 ppm2      2.339 CV     1
 ASSI { 1461}
   (( segid " 1SG" and resid 20   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.500     1.500     1.500 peak  1461 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      8.824 ppm2      0.376 CV     1
 ASSI { 1462}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 18   and name HN  ))
      3.200     3.200     2.800 peak  1462 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      8.828 ppm2      8.005 CV     1
 ASSI { 1463}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 63   and name HN  ))
      3.300     1.400     1.400 peak  1463 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      8.848 ppm2      8.521 CV     1
 ASSI { 1465}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 95   and name HB2 ))
      2.600     0.900     0.900 peak  1465 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      7.971 ppm2      2.631 CV     1
 ASSI { 1466}
   (( segid " 1SG" and resid 95   and name HN  ))
   (  segid " 1SG" and resid 93   and name HG2%)
      2.200     2.200     3.800 peak  1466 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      7.969 ppm2      1.024 CV     1
 ASSI { 1468}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 80   and name HG2 ))
      2.900     1.100     1.100 peak  1468 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      8.254 ppm2      2.168 CV     1
 OR { 1468}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 80   and name HG1 ))
 ASSI { 1469}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 106  and name HB  ))
      3.300     1.300     1.300 peak  1469 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      8.253 ppm2      1.861 CV     1
 ASSI { 1471}
   (( segid " 1SG" and resid 83   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.200     1.300     1.300 peak  1471 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      8.254 ppm2      0.372 CV     1
 ASSI { 1472}
   (( segid " 1SG" and resid 93   and name HN  ))
   (  segid " 1SG" and resid 97   and name HD% )
      3.400     1.500     1.500 peak  1472 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      8.557 ppm2      7.094 CV     1
 ASSI { 1473}
   (( segid " 1SG" and resid 93   and name HN  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      2.900     1.000     1.000 peak  1473 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      8.557 ppm2      0.177 CV     1
 ASSI { 1476}
   (( segid " 1SG" and resid 85   and name HN  ))
   (( segid " 1SG" and resid 104  and name HB2 ))
      3.500     1.600     1.600 peak  1476 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      9.406 ppm2      1.227 CV     1
 ASSI { 1477}
   (( segid " 1SG" and resid 85   and name HN  ))
   (( segid " 1SG" and resid 103  and name HA  ))
      3.500     1.500     1.500 peak  1477 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      9.405 ppm2      5.536 CV     1
 ASSI { 1478}
   (( segid " 1SG" and resid 25   and name HN  ))
   (  segid " 1SG" and resid 23   and name HG2%)
      3.200     1.300     1.300 peak  1478 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      8.401 ppm2      0.771 CV     1
 ASSI { 1480}
   (( segid " 1SG" and resid 44   and name HN  ))
   (  segid " 1SG" and resid 87   and name HD% )
      2.800     0.900     0.900 peak  1480 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      8.211 ppm2      6.801 CV     1
 ASSI { 1482}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 43   and name HD2 ))
      3.500     1.600     1.600 peak  1482 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      8.212 ppm2      1.314 CV     1
 OR { 1482}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 43   and name HD1 ))
 ASSI { 1484}
   (( segid " 1SG" and resid 51   and name HN  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      3.100     1.200     1.200 peak  1484 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      7.879 ppm2      1.071 CV     1
 ASSI { 1485}
   (( segid " 1SG" and resid 51   and name HN  ))
   (( segid " 1SG" and resid 52   and name HB2 ))
      3.700     1.700     1.700 peak  1485 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      7.881 ppm2      1.710 CV     1
 ASSI { 1486}
   (( segid " 1SG" and resid 7    and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.500     1.600     1.600 peak  1486 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      8.875 ppm2      0.469 CV     1
 ASSI { 1488}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 48   and name HB2 ))
      3.000     1.100     1.100 peak  1488 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      8.940 ppm2      2.935 CV     1
 ASSI { 1489}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 51   and name HA  ))
      3.500     1.500     1.500 peak  1489 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      8.941 ppm2      4.555 CV     1
 ASSI { 1490}
   (( segid " 1SG" and resid 69   and name HN  ))
   (  segid " 1SG" and resid 63   and name HD% )
      3.000     3.000     3.000 peak  1490 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      6.899 ppm2      5.903 CV     1
 ASSI { 1491}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 67   and name HA  ))
      3.300     1.400     1.400 peak  1491 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      6.897 ppm2      4.292 CV     1
 ASSI { 1494}
   (( segid " 1SG" and resid 83   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      3.300     3.300     2.700 peak  1494 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      8.257 ppm2      1.183 CV     1
 ASSI { 1495}
   (( segid " 1SG" and resid 70   and name HN  ))
   (  segid " 1SG" and resid 28   and name HG2%)
      3.200     1.300     1.300 peak  1495 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      9.272 ppm2      0.629 CV     1
 ASSI { 1497}
   (( segid " 1SG" and resid 70   and name HN  ))
   (  segid " 1SG" and resid 70   and name HE% )
      3.400     1.500     1.500 peak  1497 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      9.270 ppm2      6.632 CV     1
 ASSI { 1498}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 100  and name HN  ))
      3.300     1.400     1.400 peak  1498 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      9.228 ppm2      8.896 CV     1
 ASSI { 1499}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 98   and name HN  ))
      3.300     1.300     1.300 peak  1499 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      9.228 ppm2      8.427 CV     1
 ASSI { 1501}
   (( segid " 1SG" and resid 80   and name HN  ))
   (  segid " 1SG" and resid 83   and name HE% )
      2.900     1.100     1.100 peak  1501 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      5.580 ppm2      7.264 CV     1
 ASSI { 1503}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 34   and name HN  ))
      2.500     0.800     0.800 peak  1503 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      7.510 ppm2      8.687 CV     1
 ASSI { 1504}
   (( segid " 1SG" and resid 92   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.300     1.400     1.400 peak  1504 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      8.734 ppm2      0.473 CV     1
 ASSI { 1505}
   (( segid " 1SG" and resid 92   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG1%)
      2.200     2.200     3.800 peak  1505 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      8.735 ppm2     -0.083 CV     1
 ASSI { 1507}
   (( segid " 1SG" and resid 42   and name HN  ))
   (  segid " 1SG" and resid 49   and name HD2%)
      3.200     3.200     2.800 peak  1507 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      9.445 ppm2      1.011 CV     1
 ASSI { 1510}
   (( segid " 1SG" and resid 42   and name HN  ))
   (( segid " 1SG" and resid 41   and name HB2 ))
      3.500     1.500     1.500 peak  1510 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      9.448 ppm2      3.149 CV     1
 ASSI { 1511}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 103  and name HD21))
      2.900     1.000     1.000 peak  1511 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      9.241 ppm2      7.722 CV     1
 ASSI { 1513}
   (( segid " 1SG" and resid 79   and name HN  ))
   (  segid " 1SG" and resid 83   and name HE% )
      3.400     3.400     2.600 peak  1513 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      8.973 ppm2      7.265 CV     1
 ASSI { 1514}
   (( segid " 1SG" and resid 79   and name HN  ))
   (  segid " 1SG" and resid 83   and name HD% )
      3.600     1.600     1.600 peak  1514 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      8.973 ppm2      7.109 CV     1
 ASSI { 1515}
   (( segid " 1SG" and resid 79   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.200     1.300     1.300 peak  1515 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      8.973 ppm2      0.382 CV     1
 ASSI { 1518}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HD1 ))
      3.300     1.300     1.300 peak  1518 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      8.896 ppm2      3.106 CV     1
 OR { 1518}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HD2 ))
 ASSI { 1519}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 9    and name HG2 ))
      3.000     3.000     3.000 peak  1519 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      8.892 ppm2      2.504 CV     1
 ASSI { 1520}
   (( segid " 1SG" and resid 100  and name HN  ))
   (( segid " 1SG" and resid 89   and name HB2 ))
      2.900     1.000     1.000 peak  1520 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      8.895 ppm2      2.307 CV     1
 ASSI { 1521}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HG1 ))
      2.700     0.900     0.900 peak  1521 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      8.890 ppm2      1.675 CV     1
 OR { 1521}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HG2 ))
 ASSI { 1522}
   (( segid " 1SG" and resid 27   and name HN  ))
   (  segid " 1SG" and resid 28   and name HG2%)
      2.900     2.900     3.100 peak  1522 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      8.891 ppm2      0.632 CV     1
 ASSI { 1523}
   (( segid " 1SG" and resid 94   and name HN  ))
   (( segid " 1SG" and resid 93   and name HB  ))
      2.600     0.800     0.800 peak  1523 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      8.338 ppm2      4.555 CV     1
 ASSI { 1526}
   (( segid " 1SG" and resid 17   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.100     3.100     2.900 peak  1526 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      7.898 ppm2      0.371 CV     1
 ASSI { 1527}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 61   and name HB2 ))
      2.200     2.200     3.800 peak  1527 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      9.450 ppm2      2.295 CV     1
 ASSI { 1530}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 60   and name HA  ))
      3.000     3.000     3.000 peak  1530 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      9.450 ppm2      5.073 CV     1
 ASSI { 1534}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 16   and name HB  ))
      3.400     3.400     2.600 peak  1534 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      8.502 ppm2      1.802 CV     1
 ASSI { 1535}
   (( segid " 1SG" and resid 38   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG2%)
      3.000     1.100     1.100 peak  1535 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      8.374 ppm2     -0.453 CV     1
 ASSI { 1537}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 68   and name HA  ))
      3.700     1.700     1.700 peak  1537 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      8.106 ppm2      3.600 CV     1
 ASSI { 1538}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 65   and name HD2 ))
      3.200     1.300     1.300 peak  1538 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      8.106 ppm2      3.228 CV     1
 OR { 1538}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 65   and name HD1 ))
 ASSI { 1539}
   (( segid " 1SG" and resid 84   and name HN  ))
   (  segid " 1SG" and resid 83   and name HD% )
      3.500     1.600     1.600 peak  1539 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      7.866 ppm2      7.112 CV     1
 ASSI { 1540}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 74   and name HA  ))
      3.400     1.400     1.400 peak  1540 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      8.940 ppm2      4.324 CV     1
 ASSI { 1542}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 22   and name HG12))
      3.400     3.400     2.600 peak  1542 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      8.888 ppm2      0.075 CV     1
 ASSI { 1543}
   (( segid " 1SG" and resid 104  and name HN  ))
   (  segid " 1SG" and resid 106  and name HG1%)
      3.400     3.400     2.600 peak  1543 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      8.793 ppm2      0.667 CV     1
 ASSI { 1549}
   (( segid " 1SG" and resid 26   and name HN  ))
   (( segid " 1SG" and resid 27   and name HN  ))
      3.200     1.300     1.300 peak  1549 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      9.498 ppm2      8.892 CV     1
 ASSI { 1550}
   (( segid " 1SG" and resid 26   and name HN  ))
   (  segid " 1SG" and resid 72   and name HD% )
      3.400     3.400     2.600 peak  1550 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      9.498 ppm2      7.311 CV     1
 ASSI { 1551}
   (( segid " 1SG" and resid 26   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD2%)
      3.400     1.500     1.500 peak  1551 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      9.495 ppm2      0.760 CV     1
 ASSI { 1552}
   (( segid " 1SG" and resid 41   and name HN  ))
   (  segid " 1SG" and resid 49   and name HD2%)
      3.600     1.600     1.600 peak  1552 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      9.306 ppm2      1.018 CV     1
 ASSI { 1553}
   (( segid " 1SG" and resid 41   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD1%)
      3.100     1.200     1.200 peak  1553 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      9.307 ppm2      0.856 CV     1
 ASSI { 1554}
   (( segid " 1SG" and resid 41   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD2%)
      3.500     1.500     1.500 peak  1554 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      9.307 ppm2      0.688 CV     1
 ASSI { 1555}
   (( segid " 1SG" and resid 41   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG1%)
      3.000     3.000     3.000 peak  1555 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      9.308 ppm2     -0.081 CV     1
 ASSI { 1557}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 74   and name HB2 ))
      2.300     0.700     0.700 peak  1557 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      9.237 ppm2     -0.838 CV     1
 ASSI { 1560}
   (( segid " 1SG" and resid 76   and name HN  ))
   (  segid " 1SG" and resid 76   and name HD1%)
      3.300     1.400     1.400 peak  1560 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      8.926 ppm2      0.649 CV     1
 ASSI { 1561}
   (( segid " 1SG" and resid 76   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD1%)
      3.500     1.600     1.600 peak  1561 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      8.926 ppm2      0.405 CV     1
 ASSI { 1563}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 90   and name HB2 ))
      3.200     1.300     1.300 peak  1563 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      8.696 ppm2      2.025 CV     1
 ASSI { 1564}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 40   and name HD2 ))
      3.400     1.400     1.400 peak  1564 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      8.694 ppm2      1.685 CV     1
 OR { 1564}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 40   and name HD1 ))
 ASSI { 1565}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 40   and name HG1 ))
      2.400     0.700     0.700 peak  1565 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      8.694 ppm2      1.238 CV     1
 OR { 1565}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 40   and name HG2 ))
 ASSI { 1566}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 41   and name HH2 ))
      2.900     2.900     3.100 peak  1566 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      8.470 ppm2      6.611 CV     1
 ASSI { 1570}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 75   and name HN  ))
      3.300     1.400     1.400 peak  1570 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      8.471 ppm2      9.160 CV     1
 ASSI { 1572}
   (( segid " 1SG" and resid 8    and name HN  ))
   (  segid " 1SG" and resid 28   and name HG1%)
      3.200     1.300     1.300 peak  1572 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      9.052 ppm2      0.818 CV     1
 ASSI { 1573}
   (( segid " 1SG" and resid 8    and name HN  ))
   (  segid " 1SG" and resid 29   and name HB% )
      3.400     1.500     1.500 peak  1573 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      9.052 ppm2      1.513 CV     1
 ASSI { 1574}
   (( segid " 1SG" and resid 8    and name HN  ))
   (( segid " 1SG" and resid 7    and name HB2 ))
      3.500     1.600     1.600 peak  1574 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      9.052 ppm2      2.577 CV     1
 ASSI { 1576}
   (( segid " 1SG" and resid 87   and name HN  ))
   (  segid " 1SG" and resid 87   and name HE% )
      3.700     1.800     1.800 peak  1576 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      9.114 ppm2      6.589 CV     1
 ASSI { 1577}
   (( segid " 1SG" and resid 31   and name HN  ))
   (( segid " 1SG" and resid 29   and name HA  ))
      3.000     1.100     1.100 peak  1577 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      8.417 ppm2      4.392 CV     1
 ASSI { 1578}
   (( segid " 1SG" and resid 31   and name HN  ))
   (( segid " 1SG" and resid 30   and name HA1 ))
      2.500     0.800     0.800 peak  1578 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      8.418 ppm2      3.945 CV     1
 ASSI { 1579}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 62   and name HA  ))
      3.200     1.300     1.300 peak  1579 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      8.722 ppm2      4.598 CV     1
 ASSI { 1582}
   (( segid " 1SG" and resid 10   and name HN  ))
   (( segid " 1SG" and resid 9    and name HB2 ))
      3.400     1.400     1.400 peak  1582 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      8.852 ppm2      1.895 CV     1
 ASSI { 1583}
   (( segid " 1SG" and resid 10   and name HN  ))
   (( segid " 1SG" and resid 100  and name HB2 ))
      3.400     3.400     2.600 peak  1583 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      8.852 ppm2      2.963 CV     1
 ASSI { 1584}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (( segid " 1SG" and resid 41   and name HH2 ))
      3.500     1.500     1.500 peak  1584 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1     10.779 ppm2      6.612 CV     1
 ASSI { 1585}
   (( segid " 1SG" and resid 21   and name HN  ))
   (( segid " 1SG" and resid 21   and name HB2 ))
      2.900     1.100     1.100 peak  1585 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      8.170 ppm2      3.751 CV     1
 ASSI { 1587}
   (( segid " 1SG" and resid 23   and name HN  ))
   (  segid " 1SG" and resid 22   and name HG2%)
      3.400     1.400     1.400 peak  1587 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      7.913 ppm2      0.580 CV     1
 ASSI { 1588}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      2.600     2.600     3.400 peak  1588 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      9.673 ppm2      2.815 CV     1
 ASSI { 1589}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 37   and name HB2 ))
      2.900     2.900     3.100 peak  1589 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      7.892 ppm2      1.363 CV     1
 OR { 1589}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 37   and name HG2 ))
 ASSI { 1590}
   (( segid " 1SG" and resid 39   and name HN  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      3.300     1.400     1.400 peak  1590 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      7.893 ppm2      0.175 CV     1
 ASSI { 1592}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 93   and name HB  ))
      2.600     0.900     0.900 peak  1592 spectrum    1 weight  0.10000E+01 volume  0.37441E-02 ppm1      7.547 ppm2      4.555 CV     1
 ASSI { 1593}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 95   and name HB2 ))
      3.400     1.400     1.400 peak  1593 spectrum    1 weight  0.10000E+01 volume  0.37441E-02 ppm1      7.546 ppm2      2.632 CV     1
 ASSI { 1595}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 95   and name HA  ))
      2.900     1.000     1.000 peak  1595 spectrum    1 weight  0.10000E+01 volume  0.37441E-02 ppm1      7.548 ppm2      4.750 CV     1
 ASSI { 1596}
   (( segid " 1SG" and resid 98   and name HN  ))
   (( segid " 1SG" and resid 7    and name HB2 ))
      3.200     3.200     2.800 peak  1596 spectrum    1 weight  0.10000E+01 volume  0.37441E-02 ppm1      8.415 ppm2      2.581 CV     1
 ASSI { 1597}
   (( segid " 1SG" and resid 101  and name HN  ))
   (( segid " 1SG" and resid 100  and name HB2 ))
      2.700     0.900     0.900 peak  1597 spectrum    1 weight  0.10000E+01 volume  0.37441E-02 ppm1      9.044 ppm2      2.950 CV     1
 ASSI { 1598}
   (( segid " 1SG" and resid 105  and name HN  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      3.200     1.300     1.300 peak  1598 spectrum    1 weight  0.10000E+01 volume  0.37441E-02 ppm1      8.401 ppm2      1.492 CV     1
 ASSI { 1599}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 15   and name HG1 ))
      3.100     1.200     1.200 peak  1599 spectrum    1 weight  0.10000E+01 volume  0.37441E-02 ppm1      8.404 ppm2      2.261 CV     1
 OR { 1599}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 15   and name HG2 ))
 ASSI { 1600}
   (( segid " 1SG" and resid 98   and name HN  ))
   (( segid " 1SG" and resid 91   and name HA  ))
      2.200     2.200     3.800 peak  1600 spectrum    1 weight  0.10000E+01 volume  0.37441E-02 ppm1      8.399 ppm2      4.758 CV     1
 ASSI { 1602}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 105  and name HB  ))
      3.100     1.200     1.200 peak  1602 spectrum    1 weight  0.10000E+01 volume  0.37441E-02 ppm1      8.150 ppm2      3.935 CV     1
 ASSI { 1603}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 106  and name HB  ))
      3.600     1.600     1.600 peak  1603 spectrum    1 weight  0.10000E+01 volume  0.37441E-02 ppm1      8.820 ppm2      1.850 CV     1
 ASSI { 1605}
   (( segid " 1SG" and resid 38   and name HN  ))
   (  segid " 1SG" and resid 38   and name HG2%)
      2.700     0.900     0.900 peak  1605 spectrum    1 weight  0.10000E+01 volume  0.37441E-02 ppm1      8.373 ppm2      0.790 CV     1
 ASSI { 1606}
   (( segid " 1SG" and resid 19   and name HN  ))
   (( segid " 1SG" and resid 19   and name HA2 ))
      2.600     0.800     0.800 peak  1606 spectrum    1 weight  0.10000E+01 volume  0.37441E-02 ppm1      9.828 ppm2      4.311 CV     1
 ASSI { 1608}
   (( segid " 1SG" and resid 85   and name HN  ))
   (  segid " 1SG" and resid 87   and name HD% )
      3.300     3.300     2.700 peak  1608 spectrum    1 weight  0.10000E+01 volume  0.37441E-02 ppm1      9.409 ppm2      6.792 CV     1
 ASSI { 1609}
   (( segid " 1SG" and resid 101  and name HD21))
   (( segid " 1SG" and resid 101  and name HB2 ))
      2.800     1.000     1.000 peak  1609 spectrum    1 weight  0.10000E+01 volume  0.37441E-02 ppm1      7.436 ppm2      2.696 CV     1
 ASSI { 1613}
   (( segid " 1SG" and resid 28   and name HN  ))
   (  segid " 1SG" and resid 72   and name HD% )
      3.000     1.100     1.100 peak  1613 spectrum    1 weight  0.10000E+01 volume  0.37460E-02 ppm1      9.673 ppm2      7.309 CV     1
 ASSI { 1614}
   (( segid " 1SG" and resid 68   and name HN  ))
   (( segid " 1SG" and resid 66   and name HA  ))
      3.300     1.300     1.300 peak  1614 spectrum    1 weight  0.10000E+01 volume  0.37441E-02 ppm1      7.876 ppm2      4.125 CV     1
 ASSI {    1}
   (( segid " 1SG" and resid 43   and name HD1 ))
   (( segid " 1SG" and resid 43   and name HG2 ))
      2.100     0.500     0.500 peak     1 spectrum    1 weight  0.10000E+01 volume  0.90099E-02 ppm1      1.317 ppm2      0.086 CV     1
 OR {    1}
   (( segid " 1SG" and resid 43   and name HD2 ))
   (( segid " 1SG" and resid 43   and name HG2 ))
 ASSI {    2}
   (( segid " 1SG" and resid 41   and name HA  ))
   (( segid " 1SG" and resid 89   and name HA  ))
      2.000     0.500     0.500 peak     2 spectrum    1 weight  0.10000E+01 volume  0.90130E-02 ppm1      5.478 ppm2      4.971 CV     1
 ASSI {   16}
   (( segid " 1SG" and resid 65   and name HG2 ))
   (( segid " 1SG" and resid 65   and name HB2 ))
      2.100     0.500     0.500 peak    16 spectrum    1 weight  0.10000E+01 volume  0.90171E-02 ppm1      1.688 ppm2      1.765 CV     1
 OR {   16}
   (( segid " 1SG" and resid 65   and name HG1 ))
   (( segid " 1SG" and resid 65   and name HB1 ))
 OR {   16}
   (( segid " 1SG" and resid 65   and name HG1 ))
   (( segid " 1SG" and resid 65   and name HB2 ))
 OR {   16}
   (( segid " 1SG" and resid 65   and name HG2 ))
   (( segid " 1SG" and resid 65   and name HB1 ))
 ASSI {   41}
   (( segid " 1SG" and resid 41   and name HA  ))
   (( segid " 1SG" and resid 90   and name HB2 ))
      2.400     2.400     3.600 peak    41 spectrum    1 weight  0.10000E+01 volume  0.88898E-02 ppm1      5.495 ppm2      2.057 CV     1
 ASSI {   98}
   (( segid " 1SG" and resid 87   and name HA  ))
   (( segid " 1SG" and resid 43   and name HA  ))
      2.000     0.500     0.500 peak    98 spectrum    1 weight  0.10000E+01 volume  0.88898E-02 ppm1      4.980 ppm2      4.145 CV     1
 ASSI {  113}
   (( segid " 1SG" and resid 61   and name HA  ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      2.500     2.500     3.500 peak   113 spectrum    1 weight  0.10000E+01 volume  0.88898E-02 ppm1      5.518 ppm2      2.821 CV     1
 ASSI {  131}
   (( segid " 1SG" and resid 1    and name HA  ))
   (( segid " 1SG" and resid 97   and name HB2 ))
      2.300     2.300     3.700 peak   131 spectrum    1 weight  0.10000E+01 volume  0.89046E-02 ppm1      4.624 ppm2      2.693 CV     1
 ASSI {  155}
   (( segid " 1SG" and resid 9    and name HA  ))
   (( segid " 1SG" and resid 9    and name HG2 ))
      2.300     0.700     0.700 peak   155 spectrum    1 weight  0.10000E+01 volume  0.89046E-02 ppm1      4.653 ppm2      2.522 CV     1
 ASSI {  159}
   (  segid " 1SG" and resid 93   and name HG2%)
   (( segid " 1SG" and resid 37   and name HA  ))
      1.900     0.500     0.500 peak   159 spectrum    1 weight  0.10000E+01 volume  0.89957E-02 ppm1      1.041 ppm2      4.505 CV     1
 ASSI {  174}
   (( segid " 1SG" and resid 72   and name HB2 ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      2.000     2.000     4.000 peak   174 spectrum    1 weight  0.10000E+01 volume  0.24703E-01 ppm1      2.926 ppm2      2.791 CV     1
 ASSI {  175}
   (( segid " 1SG" and resid 32   and name HA  ))
   (( segid " 1SG" and resid 32   and name HB1 ))
      2.200     0.600     0.600 peak   175 spectrum    1 weight  0.10000E+01 volume  0.89046E-02 ppm1      4.518 ppm2      3.914 CV     1
 OR {  175}
   (( segid " 1SG" and resid 32   and name HA  ))
   (( segid " 1SG" and resid 32   and name HB2 ))
 ASSI {  183}
   (( segid " 1SG" and resid 74   and name HA  ))
   (( segid " 1SG" and resid 59   and name HA  ))
      2.000     0.500     0.500 peak   183 spectrum    1 weight  0.10000E+01 volume  0.89046E-02 ppm1      4.344 ppm2      5.189 CV     1
 ASSI {  185}
   (( segid " 1SG" and resid 74   and name HA  ))
   (  segid " 1SG" and resid 74   and name HD2%)
      2.100     0.500     0.500 peak   185 spectrum    1 weight  0.10000E+01 volume  0.89046E-02 ppm1      4.326 ppm2      0.405 CV     1
 OR {  185}
   (( segid " 1SG" and resid 74   and name HA  ))
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI {  194}
   (( segid " 1SG" and resid 34   and name HA  ))
   (( segid " 1SG" and resid 34   and name HG  ))
      2.200     0.600     0.600 peak   194 spectrum    1 weight  0.10000E+01 volume  0.89076E-02 ppm1      4.298 ppm2      0.929 CV     1
 ASSI {  226}
   (( segid " 1SG" and resid 17   and name HA  ))
   (( segid " 1SG" and resid 107  and name HB1 ))
      2.100     0.600     0.600 peak   226 spectrum    1 weight  0.10000E+01 volume  0.89137E-02 ppm1      4.795 ppm2      3.074 CV     1
 OR {  226}
   (( segid " 1SG" and resid 17   and name HA  ))
   (( segid " 1SG" and resid 107  and name HB2 ))
 ASSI {  253}
   (( segid " 1SG" and resid 55   and name HG1 ))
   (( segid " 1SG" and resid 55   and name HB2 ))
      1.900     0.500     0.500 peak   253 spectrum    1 weight  0.10000E+01 volume  0.17285E-01 ppm1      1.989 ppm2      1.788 CV     1
 OR {  253}
   (( segid " 1SG" and resid 55   and name HG2 ))
   (( segid " 1SG" and resid 55   and name HB2 ))
 ASSI {  275}
   (( segid " 1SG" and resid 81   and name HB2 ))
   (( segid " 1SG" and resid 81   and name HA  ))
      2.300     0.600     0.600 peak   275 spectrum    1 weight  0.10000E+01 volume  0.89198E-02 ppm1      1.927 ppm2      4.000 CV     1
 ASSI {  282}
   (  segid " 1SG" and resid 84   and name HG2%)
   (( segid " 1SG" and resid 84   and name HB  ))
      2.000     0.500     0.500 peak   282 spectrum    1 weight  0.10000E+01 volume  0.14715E-01 ppm1      1.497 ppm2      4.224 CV     1
 OR {  282}
   (  segid " 1SG" and resid 84   and name HG2%)
   (( segid " 1SG" and resid 84   and name HA  ))
 ASSI {  287}
   (( segid " 1SG" and resid 94   and name HG1 ))
   (( segid " 1SG" and resid 94   and name HD1 ))
      1.800     0.400     0.400 peak   287 spectrum    1 weight  0.10000E+01 volume  0.14353E-01 ppm1      1.417 ppm2      1.679 CV     1
 OR {  287}
   (( segid " 1SG" and resid 94   and name HG2 ))
   (( segid " 1SG" and resid 94   and name HD2 ))
 OR {  287}
   (( segid " 1SG" and resid 94   and name HG2 ))
   (( segid " 1SG" and resid 94   and name HD1 ))
 OR {  287}
   (( segid " 1SG" and resid 94   and name HG1 ))
   (( segid " 1SG" and resid 94   and name HD2 ))
 ASSI {  302}
   (  segid " 1SG" and resid 4    and name HD1%)
   (( segid " 1SG" and resid 4    and name HB  ))
      1.900     0.500     0.500 peak   302 spectrum    1 weight  0.10000E+01 volume  0.89234E-02 ppm1      0.966 ppm2      2.051 CV     1
 ASSI {  313}
   (  segid " 1SG" and resid 66   and name HB% )
   (( segid " 1SG" and resid 66   and name HA  ))
      2.100     0.500     0.500 peak   313 spectrum    1 weight  0.10000E+01 volume  0.12400E-01 ppm1      1.419 ppm2      4.132 CV     1
 ASSI {  328}
   (( segid " 1SG" and resid 34   and name HG  ))
   (  segid " 1SG" and resid 34   and name HD2%)
      2.100     0.600     0.600 peak   328 spectrum    1 weight  0.10000E+01 volume  0.89387E-02 ppm1      0.934 ppm2      0.862 CV     1
 OR {  328}
   (( segid " 1SG" and resid 34   and name HG  ))
   (  segid " 1SG" and resid 34   and name HD1%)
 ASSI {  335}
   (( segid " 1SG" and resid 3    and name HB2 ))
   (( segid " 1SG" and resid 4    and name HB  ))
      2.500     2.500     3.500 peak   335 spectrum    1 weight  0.10000E+01 volume  0.11294E-01 ppm1      2.299 ppm2      2.004 CV     1
 OR {  335}
   (( segid " 1SG" and resid 3    and name HB1 ))
   (( segid " 1SG" and resid 4    and name HB  ))
 ASSI {  336}
   (( segid " 1SG" and resid 68   and name HD2 ))
   (( segid " 1SG" and resid 68   and name HB2 ))
      2.100     0.600     0.600 peak   336 spectrum    1 weight  0.10000E+01 volume  0.89387E-02 ppm1      1.673 ppm2      1.771 CV     1
 OR {  336}
   (( segid " 1SG" and resid 68   and name HD1 ))
   (( segid " 1SG" and resid 68   and name HB2 ))
 ASSI {  345}
   (  segid " 1SG" and resid 69   and name HG1%)
   (( segid " 1SG" and resid 69   and name HB  ))
      2.100     0.500     0.500 peak   345 spectrum    1 weight  0.10000E+01 volume  0.11040E-01 ppm1      0.862 ppm2      1.752 CV     1
 OR {  345}
   (  segid " 1SG" and resid 69   and name HG2%)
   (( segid " 1SG" and resid 69   and name HB  ))
 ASSI {  349}
   (  segid " 1SG" and resid 82   and name HB% )
   (( segid " 1SG" and resid 82   and name HA  ))
      2.100     0.600     0.600 peak   349 spectrum    1 weight  0.10000E+01 volume  0.10810E-01 ppm1      1.321 ppm2      4.210 CV     1
 ASSI {  353}
   (  segid " 1SG" and resid 16   and name HG1%)
   (  segid " 1SG" and resid 16   and name HG2%)
      2.100     0.600     0.600 peak   353 spectrum    1 weight  0.10000E+01 volume  0.10737E-01 ppm1      0.980 ppm2      0.628 CV     1
 ASSI {  354}
   (( segid " 1SG" and resid 21   and name HB2 ))
   (( segid " 1SG" and resid 23   and name HB  ))
      2.200     2.200     3.800 peak   354 spectrum    1 weight  0.10000E+01 volume  0.10678E-01 ppm1      3.720 ppm2      3.604 CV     1
 ASSI {  356}
   (( segid " 1SG" and resid 104  and name HG  ))
   (( segid " 1SG" and resid 104  and name HB2 ))
      2.100     2.100     3.900 peak   356 spectrum    1 weight  0.10000E+01 volume  0.89387E-02 ppm1      1.339 ppm2      1.226 CV     1
 ASSI {  358}
   (( segid " 1SG" and resid 65   and name HD1 ))
   (( segid " 1SG" and resid 65   and name HG2 ))
      2.000     0.500     0.500 peak   358 spectrum    1 weight  0.10000E+01 volume  0.10562E-01 ppm1      3.238 ppm2      1.683 CV     1
 OR {  358}
   (( segid " 1SG" and resid 65   and name HD2 ))
   (( segid " 1SG" and resid 65   and name HG1 ))
 OR {  358}
   (( segid " 1SG" and resid 65   and name HD2 ))
   (( segid " 1SG" and resid 65   and name HG2 ))
 OR {  358}
   (( segid " 1SG" and resid 65   and name HD1 ))
   (( segid " 1SG" and resid 65   and name HG1 ))
 ASSI {  359}
   (( segid " 1SG" and resid 104  and name HG  ))
   (  segid " 1SG" and resid 104  and name HD2%)
      2.000     0.500     0.500 peak   359 spectrum    1 weight  0.10000E+01 volume  0.89387E-02 ppm1      1.342 ppm2      0.832 CV     1
 ASSI {  363}
   (  segid " 1SG" and resid 8    and name HG1%)
   (( segid " 1SG" and resid 8    and name HB  ))
      2.000     0.500     0.500 peak   363 spectrum    1 weight  0.10000E+01 volume  0.10433E-01 ppm1      0.979 ppm2      1.824 CV     1
 OR {  363}
   (  segid " 1SG" and resid 8    and name HG2%)
   (( segid " 1SG" and resid 8    and name HB  ))
 ASSI {  364}
   (( segid " 1SG" and resid 59   and name HG  ))
   (  segid " 1SG" and resid 59   and name HD2%)
      2.000     0.500     0.500 peak   364 spectrum    1 weight  0.10000E+01 volume  0.89387E-02 ppm1      1.424 ppm2      0.682 CV     1
 ASSI {  375}
   (( segid " 1SG" and resid 4    and name HG12))
   (  segid " 1SG" and resid 4    and name HG2%)
      1.900     0.500     0.500 peak   375 spectrum    1 weight  0.10000E+01 volume  0.89387E-02 ppm1      1.245 ppm2      0.917 CV     1
 ASSI {  377}
   (  segid " 1SG" and resid 71   and name HD2%)
   (  segid " 1SG" and resid 71   and name HD1%)
      2.100     0.600     0.600 peak   377 spectrum    1 weight  0.10000E+01 volume  0.10115E-01 ppm1      0.746 ppm2      0.857 CV     1
 ASSI {  384}
   (( segid " 1SG" and resid 81   and name HD2 ))
   (  segid " 1SG" and resid 18   and name HG1%)
      2.700     0.900     0.900 peak   384 spectrum    1 weight  0.10000E+01 volume  0.89417E-02 ppm1      3.587 ppm2      0.967 CV     1
 OR {  384}
   (( segid " 1SG" and resid 81   and name HD2 ))
   (  segid " 1SG" and resid 18   and name HG2%)
 ASSI {  388}
   (( segid " 1SG" and resid 34   and name HG  ))
   (( segid " 1SG" and resid 34   and name HB1 ))
      2.100     0.600     0.600 peak   388 spectrum    1 weight  0.10000E+01 volume  0.98056E-02 ppm1      0.935 ppm2      1.675 CV     1
 OR {  388}
   (( segid " 1SG" and resid 34   and name HG  ))
   (( segid " 1SG" and resid 34   and name HB2 ))
 ASSI {  404}
   (  segid " 1SG" and resid 33   and name HD2%)
   (( segid " 1SG" and resid 33   and name HB2 ))
      2.200     0.600     0.600 peak   404 spectrum    1 weight  0.10000E+01 volume  0.95124E-02 ppm1      0.873 ppm2      1.725 CV     1
 OR {  404}
   (  segid " 1SG" and resid 33   and name HD1%)
   (( segid " 1SG" and resid 33   and name HB2 ))
 ASSI {  405}
   (( segid " 1SG" and resid 96   and name HB2 ))
   (  segid " 1SG" and resid 6    and name HD2%)
      2.300     0.700     0.700 peak   405 spectrum    1 weight  0.10000E+01 volume  0.89417E-02 ppm1      1.583 ppm2      0.481 CV     1
 ASSI {  406}
   (( segid " 1SG" and resid 35   and name HB2 ))
   (( segid " 1SG" and resid 35   and name HD1 ))
      2.100     0.600     0.600 peak   406 spectrum    1 weight  0.10000E+01 volume  0.94666E-02 ppm1      1.791 ppm2      1.632 CV     1
 OR {  406}
   (( segid " 1SG" and resid 35   and name HB2 ))
   (( segid " 1SG" and resid 35   and name HD2 ))
 OR {  406}
   (( segid " 1SG" and resid 35   and name HB1 ))
   (( segid " 1SG" and resid 35   and name HD1 ))
 OR {  406}
   (( segid " 1SG" and resid 35   and name HB1 ))
   (( segid " 1SG" and resid 35   and name HD2 ))
 ASSI {  414}
   (( segid " 1SG" and resid 33   and name HB2 ))
   (( segid " 1SG" and resid 33   and name HG  ))
      2.000     0.500     0.500 peak   414 spectrum    1 weight  0.10000E+01 volume  0.89539E-02 ppm1      1.739 ppm2      0.923 CV     1
 ASSI {  415}
   (  segid " 1SG" and resid 31   and name HB% )
   (( segid " 1SG" and resid 31   and name HA  ))
      2.100     0.600     0.600 peak   415 spectrum    1 weight  0.10000E+01 volume  0.93362E-02 ppm1      1.537 ppm2      4.174 CV     1
 ASSI {  416}
   (( segid " 1SG" and resid 2    and name HB2 ))
   (( segid " 1SG" and resid 1    and name HB2 ))
      2.600     2.600     3.400 peak   416 spectrum    1 weight  0.10000E+01 volume  0.89539E-02 ppm1      2.691 ppm2      2.601 CV     1
 ASSI {  419}
   (( segid " 1SG" and resid 1    and name HB2 ))
   (( segid " 1SG" and resid 97   and name HB2 ))
      2.600     2.600     3.400 peak   419 spectrum    1 weight  0.10000E+01 volume  0.89539E-02 ppm1      2.599 ppm2      2.691 CV     1
 ASSI {  420}
   (  segid " 1SG" and resid 105  and name HG2%)
   (( segid " 1SG" and resid 105  and name HB  ))
      2.100     0.600     0.600 peak   420 spectrum    1 weight  0.10000E+01 volume  0.92141E-02 ppm1      0.923 ppm2      3.904 CV     1
 ASSI {  425}
   (  segid " 1SG" and resid 76   and name HD1%)
   (  segid " 1SG" and resid 76   and name HG2%)
      2.000     0.500     0.500 peak   425 spectrum    1 weight  0.10000E+01 volume  0.90746E-02 ppm1      0.678 ppm2      0.829 CV     1
 ASSI {  427}
   (  segid " 1SG" and resid 59   and name HD1%)
   (  segid " 1SG" and resid 59   and name HD2%)
      2.100     0.500     0.500 peak   427 spectrum    1 weight  0.10000E+01 volume  0.90048E-02 ppm1      0.863 ppm2      0.716 CV     1
 ASSI {  435}
   (( segid " 1SG" and resid 94   and name HE1 ))
   (( segid " 1SG" and resid 94   and name HD2 ))
      2.000     0.500     0.500 peak   435 spectrum    1 weight  0.10000E+01 volume  0.88328E-02 ppm1      2.967 ppm2      1.689 CV     1
 OR {  435}
   (( segid " 1SG" and resid 94   and name HE1 ))
   (( segid " 1SG" and resid 94   and name HD1 ))
 OR {  435}
   (( segid " 1SG" and resid 94   and name HE2 ))
   (( segid " 1SG" and resid 94   and name HD2 ))
 OR {  435}
   (( segid " 1SG" and resid 94   and name HE2 ))
   (( segid " 1SG" and resid 94   and name HD1 ))
 ASSI {  438}
   (( segid " 1SG" and resid 108  and name HG2 ))
   (  segid " 1SG" and resid 18   and name HG2%)
      2.200     0.600     0.600 peak   438 spectrum    1 weight  0.10000E+01 volume  0.89682E-02 ppm1      2.209 ppm2      0.961 CV     1
 OR {  438}
   (( segid " 1SG" and resid 108  and name HG1 ))
   (  segid " 1SG" and resid 18   and name HG2%)
 ASSI {  443}
   (  segid " 1SG" and resid 106  and name HG2%)
   (  segid " 1SG" and resid 106  and name HG1%)
      2.100     0.600     0.600 peak   443 spectrum    1 weight  0.10000E+01 volume  0.86032E-02 ppm1      0.390 ppm2      0.692 CV     1
 ASSI {  458}
   (  segid " 1SG" and resid 23   and name HG2%)
   (( segid " 1SG" and resid 23   and name HB  ))
      2.200     0.600     0.600 peak   458 spectrum    1 weight  0.10000E+01 volume  0.83359E-02 ppm1      0.783 ppm2      3.578 CV     1
 ASSI {  460}
   (( segid " 1SG" and resid 50   and name HB2 ))
   (( segid " 1SG" and resid 50   and name HA  ))
      2.100     0.600     0.600 peak   460 spectrum    1 weight  0.10000E+01 volume  0.89682E-02 ppm1      4.031 ppm2      3.944 CV     1
 ASSI {  463}
   (( segid " 1SG" and resid 35   and name HE2 ))
   (( segid " 1SG" and resid 35   and name HD2 ))
      2.100     0.600     0.600 peak   463 spectrum    1 weight  0.10000E+01 volume  0.81384E-02 ppm1      2.950 ppm2      1.649 CV     1
 OR {  463}
   (( segid " 1SG" and resid 35   and name HE1 ))
   (( segid " 1SG" and resid 35   and name HD1 ))
 OR {  463}
   (( segid " 1SG" and resid 35   and name HE1 ))
   (( segid " 1SG" and resid 35   and name HD2 ))
 OR {  463}
   (( segid " 1SG" and resid 35   and name HE2 ))
   (( segid " 1SG" and resid 35   and name HD1 ))
 ASSI {  464}
   (( segid " 1SG" and resid 4    and name HA  ))
   (  segid " 1SG" and resid 4    and name HG2%)
      2.200     0.600     0.600 peak   464 spectrum    1 weight  0.10000E+01 volume  0.89682E-02 ppm1      4.027 ppm2      0.915 CV     1
 ASSI {  478}
   (  segid " 1SG" and resid 84   and name HG2%)
   (( segid " 1SG" and resid 105  and name HA  ))
      2.200     0.600     0.600 peak   478 spectrum    1 weight  0.10000E+01 volume  0.78386E-02 ppm1      1.498 ppm2      4.518 CV     1
 ASSI {  480}
   (( segid " 1SG" and resid 17   and name HB  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      2.200     0.600     0.600 peak   480 spectrum    1 weight  0.10000E+01 volume  0.78111E-02 ppm1      4.089 ppm2      1.298 CV     1
 ASSI {  482}
   (  segid " 1SG" and resid 34   and name HD2%)
   (( segid " 1SG" and resid 34   and name HA  ))
      2.400     0.700     0.700 peak   482 spectrum    1 weight  0.10000E+01 volume  0.77597E-02 ppm1      0.863 ppm2      4.298 CV     1
 OR {  482}
   (  segid " 1SG" and resid 34   and name HD1%)
   (( segid " 1SG" and resid 34   and name HA  ))
 ASSI {  483}
   (  segid " 1SG" and resid 104  and name HD1%)
   (  segid " 1SG" and resid 16   and name HG2%)
      2.100     0.500     0.500 peak   483 spectrum    1 weight  0.10000E+01 volume  0.77536E-02 ppm1      0.982 ppm2      0.618 CV     1
 ASSI {  485}
   (  segid " 1SG" and resid 6    and name HD1%)
   (  segid " 1SG" and resid 6    and name HD2%)
      2.100     0.600     0.600 peak   485 spectrum    1 weight  0.10000E+01 volume  0.76884E-02 ppm1      0.674 ppm2      0.488 CV     1
 ASSI {  492}
   (  segid " 1SG" and resid 18   and name HG2%)
   (  segid " 1SG" and resid 106  and name HG2%)
      2.100     0.600     0.600 peak   492 spectrum    1 weight  0.10000E+01 volume  0.76024E-02 ppm1      0.966 ppm2      0.388 CV     1
 ASSI {  500}
   (( segid " 1SG" and resid 49   and name HG  ))
   (  segid " 1SG" and resid 49   and name HD1%)
      1.900     0.500     0.500 peak   500 spectrum    1 weight  0.10000E+01 volume  0.90130E-02 ppm1      0.799 ppm2      1.765 CV     1
 ASSI {  501}
   (  segid " 1SG" and resid 91   and name HG2%)
   (( segid " 1SG" and resid 37   and name HB2 ))
      2.100     0.600     0.600 peak   501 spectrum    1 weight  0.10000E+01 volume  0.89723E-02 ppm1      0.184 ppm2      1.380 CV     1
 OR {  501}
   (  segid " 1SG" and resid 91   and name HG2%)
   (( segid " 1SG" and resid 37   and name HG2 ))
 ASSI {  504}
   (  segid " 1SG" and resid 69   and name HG1%)
   (( segid " 1SG" and resid 69   and name HA  ))
      2.100     0.600     0.600 peak   504 spectrum    1 weight  0.10000E+01 volume  0.74410E-02 ppm1      0.862 ppm2      4.593 CV     1
 OR {  504}
   (  segid " 1SG" and resid 69   and name HG2%)
   (( segid " 1SG" and resid 69   and name HA  ))
 ASSI {  507}
   (  segid " 1SG" and resid 38   and name HG2%)
   (( segid " 1SG" and resid 38   and name HB  ))
      2.200     0.600     0.600 peak   507 spectrum    1 weight  0.10000E+01 volume  0.74049E-02 ppm1      0.828 ppm2      1.896 CV     1
 OR {  507}
   (  segid " 1SG" and resid 38   and name HG1%)
   (( segid " 1SG" and resid 38   and name HB  ))
 ASSI {  511}
   (( segid " 1SG" and resid 77   and name HB  ))
   (  segid " 1SG" and resid 77   and name HG2%)
      2.200     0.600     0.600 peak   511 spectrum    1 weight  0.10000E+01 volume  0.73809E-02 ppm1      4.025 ppm2      1.045 CV     1
 ASSI {  515}
   (  segid " 1SG" and resid 47   and name HG2%)
   (  segid " 1SG" and resid 47   and name HG1%)
      2.200     0.600     0.600 peak   515 spectrum    1 weight  0.10000E+01 volume  0.73494E-02 ppm1      0.794 ppm2      0.992 CV     1
 ASSI {  522}
   (  segid " 1SG" and resid 39   and name HG1%)
   (  segid " 1SG" and resid 39   and name HG2%)
      2.200     0.600     0.600 peak   522 spectrum    1 weight  0.10000E+01 volume  0.72496E-02 ppm1     -0.062 ppm2     -0.447 CV     1
 ASSI {  524}
   (( segid " 1SG" and resid 52   and name HD2 ))
   (( segid " 1SG" and resid 52   and name HG2 ))
      2.100     0.600     0.600 peak   524 spectrum    1 weight  0.10000E+01 volume  0.72231E-02 ppm1      1.579 ppm2      1.341 CV     1
 OR {  524}
   (( segid " 1SG" and resid 52   and name HD2 ))
   (( segid " 1SG" and resid 52   and name HG1 ))
 OR {  524}
   (( segid " 1SG" and resid 52   and name HD1 ))
   (( segid " 1SG" and resid 52   and name HG2 ))
 OR {  524}
   (( segid " 1SG" and resid 52   and name HD1 ))
   (( segid " 1SG" and resid 52   and name HG1 ))
 ASSI {  527}
   (( segid " 1SG" and resid 49   and name HG  ))
   (  segid " 1SG" and resid 59   and name HD1%)
      2.600     2.600     3.400 peak   527 spectrum    1 weight  0.10000E+01 volume  0.89748E-02 ppm1      0.848 ppm2      0.850 CV     1
 ASSI {  528}
   (( segid " 1SG" and resid 49   and name HG  ))
   (( segid " 1SG" and resid 49   and name HB2 ))
      2.100     0.600     0.600 peak   528 spectrum    1 weight  0.10000E+01 volume  0.89748E-02 ppm1      0.849 ppm2      1.542 CV     1
 ASSI {  536}
   (  segid " 1SG" and resid 38   and name HG1%)
   (( segid " 1SG" and resid 38   and name HA  ))
      2.200     0.600     0.600 peak   536 spectrum    1 weight  0.10000E+01 volume  0.71289E-02 ppm1      0.835 ppm2      3.900 CV     1
 OR {  536}
   (  segid " 1SG" and resid 38   and name HG2%)
   (( segid " 1SG" and resid 38   and name HA  ))
 ASSI {  541}
   (  segid " 1SG" and resid 59   and name HD2%)
   (  segid " 1SG" and resid 74   and name HD2%)
      2.300     0.600     0.600 peak   541 spectrum    1 weight  0.10000E+01 volume  0.71157E-02 ppm1      0.714 ppm2      0.412 CV     1
 OR {  541}
   (  segid " 1SG" and resid 59   and name HD2%)
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI {  544}
   (( segid " 1SG" and resid 54   and name HA1 ))
   (( segid " 1SG" and resid 54   and name HA2 ))
      2.000     0.500     0.500 peak   544 spectrum    1 weight  0.10000E+01 volume  0.71030E-02 ppm1      3.915 ppm2      4.302 CV     1
 ASSI {  547}
   (  segid " 1SG" and resid 33   and name HD1%)
   (( segid " 1SG" and resid 33   and name HA  ))
      2.400     0.700     0.700 peak   547 spectrum    1 weight  0.10000E+01 volume  0.70765E-02 ppm1      0.873 ppm2      4.455 CV     1
 OR {  547}
   (  segid " 1SG" and resid 33   and name HD2%)
   (( segid " 1SG" and resid 33   and name HA  ))
 ASSI {  548}
   (  segid " 1SG" and resid 28   and name HG1%)
   (  segid " 1SG" and resid 29   and name HB% )
      2.400     2.400     3.600 peak   548 spectrum    1 weight  0.10000E+01 volume  0.89748E-02 ppm1      0.819 ppm2      1.521 CV     1
 ASSI {  557}
   (  segid " 1SG" and resid 59   and name HD1%)
   (  segid " 1SG" and resid 57   and name HD1%)
      2.900     1.100     1.100 peak   557 spectrum    1 weight  0.10000E+01 volume  0.69253E-02 ppm1      0.824 ppm2      0.604 CV     1
 OR {  557}
   (  segid " 1SG" and resid 59   and name HD1%)
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI {  558}
   (  segid " 1SG" and resid 29   and name HB% )
   (( segid " 1SG" and resid 29   and name HA  ))
      2.200     0.600     0.600 peak   558 spectrum    1 weight  0.10000E+01 volume  0.69029E-02 ppm1      1.520 ppm2      4.393 CV     1
 ASSI {  563}
   (  segid " 1SG" and resid 104  and name HD2%)
   (  segid " 1SG" and resid 106  and name HG1%)
      2.300     0.600     0.600 peak   563 spectrum    1 weight  0.10000E+01 volume  0.67909E-02 ppm1      0.837 ppm2      0.684 CV     1
 ASSI {  571}
   (  segid " 1SG" and resid 93   and name HG2%)
   (( segid " 1SG" and resid 93   and name HB  ))
      2.100     0.500     0.500 peak   571 spectrum    1 weight  0.10000E+01 volume  0.67222E-02 ppm1      1.040 ppm2      4.557 CV     1
 ASSI {  572}
   (  segid " 1SG" and resid 104  and name HD2%)
   (  segid " 1SG" and resid 104  and name HD1%)
      2.100     0.600     0.600 peak   572 spectrum    1 weight  0.10000E+01 volume  0.66962E-02 ppm1      0.836 ppm2      0.981 CV     1
 ASSI {  574}
   (  segid " 1SG" and resid 53   and name HG2%)
   (( segid " 1SG" and resid 53   and name HB  ))
      2.200     0.600     0.600 peak   574 spectrum    1 weight  0.10000E+01 volume  0.66631E-02 ppm1      1.080 ppm2      2.129 CV     1
 OR {  574}
   (  segid " 1SG" and resid 53   and name HG1%)
   (( segid " 1SG" and resid 53   and name HB  ))
 ASSI {  581}
   (( segid " 1SG" and resid 67   and name HB2 ))
   (( segid " 1SG" and resid 67   and name HA  ))
      2.300     0.700     0.700 peak   581 spectrum    1 weight  0.10000E+01 volume  0.65781E-02 ppm1      3.729 ppm2      4.301 CV     1
 OR {  581}
   (( segid " 1SG" and resid 67   and name HB1 ))
   (( segid " 1SG" and resid 67   and name HA  ))
 ASSI {  582}
   (( segid " 1SG" and resid 53   and name HB  ))
   (  segid " 1SG" and resid 53   and name HG1%)
      2.200     0.600     0.600 peak   582 spectrum    1 weight  0.10000E+01 volume  0.65730E-02 ppm1      2.134 ppm2      1.116 CV     1
 ASSI {  589}
   (  segid " 1SG" and resid 76   and name HG2%)
   (  segid " 1SG" and resid 57   and name HD2%)
      2.500     0.800     0.800 peak   589 spectrum    1 weight  0.10000E+01 volume  0.89814E-02 ppm1      0.826 ppm2      0.616 CV     1
 OR {  589}
   (  segid " 1SG" and resid 76   and name HG2%)
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI {  592}
   (( segid " 1SG" and resid 53   and name HB  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      2.100     0.500     0.500 peak   592 spectrum    1 weight  0.10000E+01 volume  0.64707E-02 ppm1      2.134 ppm2      1.084 CV     1
 ASSI {  594}
   (  segid " 1SG" and resid 76   and name HD1%)
   (  segid " 1SG" and resid 74   and name HD1%)
      2.000     0.500     0.500 peak   594 spectrum    1 weight  0.10000E+01 volume  0.89814E-02 ppm1      0.676 ppm2      0.417 CV     1
 ASSI {  604}
   (( segid " 1SG" and resid 85   and name HA1 ))
   (( segid " 1SG" and resid 85   and name HA2 ))
      1.900     0.400     0.400 peak   604 spectrum    1 weight  0.10000E+01 volume  0.63796E-02 ppm1      3.939 ppm2      4.518 CV     1
 ASSI {  606}
   (( segid " 1SG" and resid 89   and name HA  ))
   (( segid " 1SG" and resid 99   and name HB2 ))
      2.400     2.400     3.600 peak   606 spectrum    1 weight  0.10000E+01 volume  0.89814E-02 ppm1      4.981 ppm2      2.748 CV     1
 ASSI {  611}
   (( segid " 1SG" and resid 20   and name HA2 ))
   (( segid " 1SG" and resid 20   and name HA1 ))
      2.000     0.500     0.500 peak   611 spectrum    1 weight  0.10000E+01 volume  0.62854E-02 ppm1      4.387 ppm2      3.737 CV     1
 ASSI {  613}
   (( segid " 1SG" and resid 3    and name HD2 ))
   (( segid " 1SG" and resid 2    and name HA  ))
      2.300     0.600     0.600 peak   613 spectrum    1 weight  0.10000E+01 volume  0.62595E-02 ppm1      3.854 ppm2      4.913 CV     1
 OR {  613}
   (( segid " 1SG" and resid 3    and name HD1 ))
   (( segid " 1SG" and resid 2    and name HA  ))
 ASSI {  617}
   (( segid " 1SG" and resid 84   and name HB  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      2.300     0.700     0.700 peak   617 spectrum    1 weight  0.10000E+01 volume  0.62050E-02 ppm1      4.220 ppm2      1.497 CV     1
 ASSI {  623}
   (( segid " 1SG" and resid 38   and name HB  ))
   (  segid " 1SG" and resid 38   and name HG2%)
      2.300     0.600     0.600 peak   623 spectrum    1 weight  0.10000E+01 volume  0.61480E-02 ppm1      1.893 ppm2      0.790 CV     1
 ASSI {  625}
   (( segid " 1SG" and resid 49   and name HG  ))
   (  segid " 1SG" and resid 49   and name HD2%)
      2.000     0.500     0.500 peak   625 spectrum    1 weight  0.10000E+01 volume  0.61022E-02 ppm1      0.805 ppm2      1.028 CV     1
 ASSI {  628}
   (  segid " 1SG" and resid 91   and name HG2%)
   (  segid " 1SG" and resid 39   and name HG2%)
      2.200     0.600     0.600 peak   628 spectrum    1 weight  0.10000E+01 volume  0.60446E-02 ppm1      0.172 ppm2     -0.446 CV     1
 OR {  628}
   (  segid " 1SG" and resid 91   and name HG1%)
   (  segid " 1SG" and resid 39   and name HG2%)
 ASSI {  629}
   (  segid " 1SG" and resid 106  and name HG2%)
   (  segid " 1SG" and resid 18   and name HG2%)
      2.200     0.600     0.600 peak   629 spectrum    1 weight  0.10000E+01 volume  0.59520E-02 ppm1      0.390 ppm2      0.968 CV     1
 OR {  629}
   (  segid " 1SG" and resid 106  and name HG2%)
   (  segid " 1SG" and resid 18   and name HG1%)
 ASSI {  638}
   (  segid " 1SG" and resid 74   and name HD2%)
   (  segid " 1SG" and resid 26   and name HB% )
      2.000     2.000     4.000 peak   638 spectrum    1 weight  0.10000E+01 volume  0.89814E-02 ppm1      0.410 ppm2      1.483 CV     1
 OR {  638}
   (  segid " 1SG" and resid 74   and name HD1%)
   (  segid " 1SG" and resid 26   and name HB% )
 ASSI {  647}
   (( segid " 1SG" and resid 15   and name HB2 ))
   (( segid " 1SG" and resid 15   and name HG2 ))
      2.400     0.700     0.700 peak   647 spectrum    1 weight  0.10000E+01 volume  0.57621E-02 ppm1      2.041 ppm2      2.277 CV     1
 OR {  647}
   (( segid " 1SG" and resid 15   and name HB1 ))
   (( segid " 1SG" and resid 15   and name HG1 ))
 OR {  647}
   (( segid " 1SG" and resid 15   and name HB1 ))
   (( segid " 1SG" and resid 15   and name HG2 ))
 OR {  647}
   (( segid " 1SG" and resid 15   and name HB2 ))
   (( segid " 1SG" and resid 15   and name HG1 ))
 ASSI {  649}
   (  segid " 1SG" and resid 105  and name HG2%)
   (( segid " 1SG" and resid 105  and name HA  ))
      2.300     0.700     0.700 peak   649 spectrum    1 weight  0.10000E+01 volume  0.57422E-02 ppm1      0.923 ppm2      4.518 CV     1
 ASSI {  651}
   (  segid " 1SG" and resid 8    and name HG1%)
   (( segid " 1SG" and resid 8    and name HA  ))
      2.400     0.700     0.700 peak   651 spectrum    1 weight  0.10000E+01 volume  0.57183E-02 ppm1      0.964 ppm2      4.174 CV     1
 OR {  651}
   (  segid " 1SG" and resid 8    and name HG2%)
   (( segid " 1SG" and resid 8    and name HA  ))
 ASSI {  653}
   (  segid " 1SG" and resid 57   and name HD2%)
   (  segid " 1SG" and resid 74   and name HD1%)
      2.300     0.700     0.700 peak   653 spectrum    1 weight  0.10000E+01 volume  0.57020E-02 ppm1      0.612 ppm2      0.416 CV     1
 OR {  653}
   (  segid " 1SG" and resid 57   and name HD1%)
   (  segid " 1SG" and resid 74   and name HD1%)
 OR {  653}
   (  segid " 1SG" and resid 57   and name HD2%)
   (  segid " 1SG" and resid 74   and name HD2%)
 ASSI {  655}
   (( segid " 1SG" and resid 92   and name HB1 ))
   (( segid " 1SG" and resid 92   and name HA  ))
      2.300     0.700     0.700 peak   655 spectrum    1 weight  0.10000E+01 volume  0.56878E-02 ppm1      3.943 ppm2      5.264 CV     1
 OR {  655}
   (( segid " 1SG" and resid 92   and name HB2 ))
   (( segid " 1SG" and resid 92   and name HA  ))
 ASSI {  656}
   (( segid " 1SG" and resid 38   and name HB  ))
   (  segid " 1SG" and resid 38   and name HG1%)
      2.300     0.700     0.700 peak   656 spectrum    1 weight  0.10000E+01 volume  0.56766E-02 ppm1      1.893 ppm2      0.842 CV     1
 ASSI {  660}
   (( segid " 1SG" and resid 18   and name HB  ))
   (  segid " 1SG" and resid 18   and name HG1%)
      2.300     0.700     0.700 peak   660 spectrum    1 weight  0.10000E+01 volume  0.55972E-02 ppm1      1.940 ppm2      1.009 CV     1
 ASSI {  667}
   (( segid " 1SG" and resid 94   and name HE2 ))
   (( segid " 1SG" and resid 94   and name HG1 ))
      2.500     0.800     0.800 peak   667 spectrum    1 weight  0.10000E+01 volume  0.55015E-02 ppm1      2.982 ppm2      1.410 CV     1
 OR {  667}
   (( segid " 1SG" and resid 94   and name HE2 ))
   (( segid " 1SG" and resid 94   and name HG2 ))
 OR {  667}
   (( segid " 1SG" and resid 94   and name HE1 ))
   (( segid " 1SG" and resid 94   and name HG1 ))
 OR {  667}
   (( segid " 1SG" and resid 94   and name HE1 ))
   (( segid " 1SG" and resid 94   and name HG2 ))
 ASSI {  676}
   (( segid " 1SG" and resid 32   and name HB2 ))
   (( segid " 1SG" and resid 33   and name HA  ))
      2.500     2.500     3.500 peak   676 spectrum    1 weight  0.10000E+01 volume  0.54276E-02 ppm1      3.910 ppm2      4.466 CV     1
 OR {  676}
   (( segid " 1SG" and resid 32   and name HB1 ))
   (( segid " 1SG" and resid 33   and name HA  ))
 ASSI {  677}
   (  segid " 1SG" and resid 104  and name HD1%)
   (  segid " 1SG" and resid 22   and name HD1%)
      2.400     0.700     0.700 peak   677 spectrum    1 weight  0.10000E+01 volume  0.54276E-02 ppm1      0.982 ppm2      0.547 CV     1
 ASSI {  679}
   (  segid " 1SG" and resid 47   and name HG1%)
   (( segid " 1SG" and resid 47   and name HA  ))
      2.300     0.700     0.700 peak   679 spectrum    1 weight  0.10000E+01 volume  0.54180E-02 ppm1      0.996 ppm2      4.076 CV     1
 ASSI {  681}
   (( segid " 1SG" and resid 68   and name HG2 ))
   (( segid " 1SG" and resid 68   and name HD1 ))
      2.300     0.600     0.600 peak   681 spectrum    1 weight  0.10000E+01 volume  0.54170E-02 ppm1      1.326 ppm2      1.682 CV     1
 OR {  681}
   (( segid " 1SG" and resid 68   and name HG1 ))
   (( segid " 1SG" and resid 68   and name HD2 ))
 OR {  681}
   (( segid " 1SG" and resid 68   and name HG2 ))
   (( segid " 1SG" and resid 68   and name HD2 ))
 OR {  681}
   (( segid " 1SG" and resid 68   and name HG1 ))
   (( segid " 1SG" and resid 68   and name HD1 ))
 ASSI {  684}
   (  segid " 1SG" and resid 53   and name HG2%)
   (( segid " 1SG" and resid 53   and name HA  ))
      2.000     0.500     0.500 peak   684 spectrum    1 weight  0.10000E+01 volume  0.89814E-02 ppm1      1.079 ppm2      4.054 CV     1
 OR {  684}
   (  segid " 1SG" and resid 53   and name HG1%)
   (( segid " 1SG" and resid 53   and name HA  ))
 ASSI {  685}
   (( segid " 1SG" and resid 44   and name HA1 ))
   (( segid " 1SG" and resid 44   and name HA2 ))
      2.000     0.500     0.500 peak   685 spectrum    1 weight  0.10000E+01 volume  0.53971E-02 ppm1      3.476 ppm2      3.825 CV     1
 ASSI {  689}
   (  segid " 1SG" and resid 57   and name HD1%)
   (( segid " 1SG" and resid 57   and name HG  ))
      2.200     0.600     0.600 peak   689 spectrum    1 weight  0.10000E+01 volume  0.53681E-02 ppm1      0.618 ppm2      0.749 CV     1
 OR {  689}
   (  segid " 1SG" and resid 57   and name HD2%)
   (( segid " 1SG" and resid 57   and name HG  ))
 ASSI {  690}
   (  segid " 1SG" and resid 53   and name HG1%)
   (  segid " 1SG" and resid 59   and name HD1%)
      2.600     0.800     0.800 peak   690 spectrum    1 weight  0.10000E+01 volume  0.89814E-02 ppm1      1.118 ppm2      0.869 CV     1
 ASSI {  691}
   (  segid " 1SG" and resid 53   and name HG1%)
   (  segid " 1SG" and resid 57   and name HD1%)
      2.500     0.800     0.800 peak   691 spectrum    1 weight  0.10000E+01 volume  0.89814E-02 ppm1      1.118 ppm2      0.614 CV     1
 OR {  691}
   (  segid " 1SG" and resid 53   and name HG1%)
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI {  692}
   (  segid " 1SG" and resid 53   and name HG1%)
   (  segid " 1SG" and resid 53   and name HG2%)
      2.100     0.500     0.500 peak   692 spectrum    1 weight  0.10000E+01 volume  0.89814E-02 ppm1      1.122 ppm2      1.070 CV     1
 ASSI {  695}
   (  segid " 1SG" and resid 53   and name HG2%)
   (  segid " 1SG" and resid 57   and name HD1%)
      2.300     0.600     0.600 peak   695 spectrum    1 weight  0.10000E+01 volume  0.53029E-02 ppm1      1.077 ppm2      0.618 CV     1
 OR {  695}
   (  segid " 1SG" and resid 53   and name HG2%)
   (  segid " 1SG" and resid 57   and name HD2%)
 OR {  695}
   (  segid " 1SG" and resid 53   and name HG1%)
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI {  698}
   (( segid " 1SG" and resid 68   and name HE1 ))
   (( segid " 1SG" and resid 68   and name HG1 ))
      2.400     0.700     0.700 peak   698 spectrum    1 weight  0.10000E+01 volume  0.52882E-02 ppm1      3.029 ppm2      1.285 CV     1
 OR {  698}
   (( segid " 1SG" and resid 68   and name HE2 ))
   (( segid " 1SG" and resid 68   and name HG2 ))
 OR {  698}
   (( segid " 1SG" and resid 68   and name HE1 ))
   (( segid " 1SG" and resid 68   and name HG2 ))
 OR {  698}
   (( segid " 1SG" and resid 68   and name HE2 ))
   (( segid " 1SG" and resid 68   and name HG1 ))
 ASSI {  699}
   (  segid " 1SG" and resid 53   and name HG1%)
   (( segid " 1SG" and resid 53   and name HA  ))
      2.100     0.600     0.600 peak   699 spectrum    1 weight  0.10000E+01 volume  0.89814E-02 ppm1      1.119 ppm2      4.050 CV     1
 ASSI {  712}
   (( segid " 1SG" and resid 27   and name HD1 ))
   (( segid " 1SG" and resid 27   and name HB1 ))
      2.300     0.700     0.700 peak   712 spectrum    1 weight  0.10000E+01 volume  0.51548E-02 ppm1      3.128 ppm2      1.583 CV     1
 OR {  712}
   (( segid " 1SG" and resid 27   and name HD2 ))
   (( segid " 1SG" and resid 27   and name HB2 ))
 OR {  712}
   (( segid " 1SG" and resid 27   and name HD2 ))
   (( segid " 1SG" and resid 27   and name HB1 ))
 OR {  712}
   (( segid " 1SG" and resid 27   and name HD1 ))
   (( segid " 1SG" and resid 27   and name HB2 ))
 ASSI {  725}
   (  segid " 1SG" and resid 71   and name HD1%)
   (( segid " 1SG" and resid 71   and name HB2 ))
      2.100     0.500     0.500 peak   725 spectrum    1 weight  0.10000E+01 volume  0.89982E-02 ppm1      0.856 ppm2      1.270 CV     1
 ASSI {  731}
   (  segid " 1SG" and resid 91   and name HG2%)
   (( segid " 1SG" and resid 91   and name HB  ))
      2.200     0.600     0.600 peak   731 spectrum    1 weight  0.10000E+01 volume  0.50518E-02 ppm1      0.175 ppm2      1.130 CV     1
 OR {  731}
   (  segid " 1SG" and resid 91   and name HG1%)
   (( segid " 1SG" and resid 91   and name HB  ))
 ASSI {  739}
   (( segid " 1SG" and resid 14   and name HA2 ))
   (( segid " 1SG" and resid 14   and name HA1 ))
      2.000     0.500     0.500 peak   739 spectrum    1 weight  0.10000E+01 volume  0.50102E-02 ppm1      4.937 ppm2      3.749 CV     1
 ASSI {  742}
   (( segid " 1SG" and resid 4    and name HG12))
   (  segid " 1SG" and resid 4    and name HD1%)
      2.200     0.600     0.600 peak   742 spectrum    1 weight  0.10000E+01 volume  0.49947E-02 ppm1      1.241 ppm2      0.966 CV     1
 ASSI {  745}
   (( segid " 1SG" and resid 43   and name HE2 ))
   (( segid " 1SG" and resid 43   and name HG2 ))
      2.000     0.500     0.500 peak   745 spectrum    1 weight  0.10000E+01 volume  0.90099E-02 ppm1      2.518 ppm2      0.081 CV     1
 ASSI {  751}
   (  segid " 1SG" and resid 93   and name HG2%)
   (  segid " 1SG" and resid 6    and name HD1%)
      2.300     0.700     0.700 peak   751 spectrum    1 weight  0.10000E+01 volume  0.49414E-02 ppm1      1.039 ppm2      0.675 CV     1
 ASSI {  760}
   (( segid " 1SG" and resid 68   and name HD1 ))
   (( segid " 1SG" and resid 68   and name HE2 ))
      2.300     0.700     0.700 peak   760 spectrum    1 weight  0.10000E+01 volume  0.48706E-02 ppm1      1.678 ppm2      3.029 CV     1
 OR {  760}
   (( segid " 1SG" and resid 68   and name HD2 ))
   (( segid " 1SG" and resid 68   and name HE1 ))
 OR {  760}
   (( segid " 1SG" and resid 68   and name HD2 ))
   (( segid " 1SG" and resid 68   and name HE2 ))
 OR {  760}
   (( segid " 1SG" and resid 68   and name HD1 ))
   (( segid " 1SG" and resid 68   and name HE1 ))
 ASSI {  761}
   (  segid " 1SG" and resid 6    and name HD1%)
   (( segid " 1SG" and resid 6    and name HA  ))
      2.200     0.600     0.600 peak   761 spectrum    1 weight  0.10000E+01 volume  0.48522E-02 ppm1      0.673 ppm2      4.461 CV     1
 ASSI {  765}
   (  segid " 1SG" and resid 79   and name HB% )
   (  segid " 1SG" and resid 106  and name HG1%)
      2.700     0.900     0.900 peak   765 spectrum    1 weight  0.10000E+01 volume  0.48277E-02 ppm1      1.194 ppm2      0.689 CV     1
 ASSI {  773}
   (( segid " 1SG" and resid 93   and name HB  ))
   (( segid " 1SG" and resid 93   and name HA  ))
      2.400     0.700     0.700 peak   773 spectrum    1 weight  0.10000E+01 volume  0.47705E-02 ppm1      4.558 ppm2      4.791 CV     1
 ASSI {  775}
   (  segid " 1SG" and resid 77   and name HG2%)
   (( segid " 1SG" and resid 77   and name HA  ))
      2.300     0.700     0.700 peak   775 spectrum    1 weight  0.10000E+01 volume  0.47636E-02 ppm1      1.047 ppm2      4.663 CV     1
 ASSI {  776}
   (( segid " 1SG" and resid 108  and name HG2 ))
   (( segid " 1SG" and resid 108  and name HB2 ))
      2.400     0.700     0.700 peak   776 spectrum    1 weight  0.10000E+01 volume  0.47573E-02 ppm1      2.213 ppm2      1.913 CV     1
 OR {  776}
   (( segid " 1SG" and resid 108  and name HG1 ))
   (( segid " 1SG" and resid 108  and name HB2 ))
 ASSI {  777}
   (( segid " 1SG" and resid 65   and name HD2 ))
   (( segid " 1SG" and resid 65   and name HB1 ))
      2.500     0.800     0.800 peak   777 spectrum    1 weight  0.10000E+01 volume  0.47552E-02 ppm1      3.235 ppm2      1.762 CV     1
 OR {  777}
   (( segid " 1SG" and resid 65   and name HD2 ))
   (( segid " 1SG" and resid 65   and name HB2 ))
 OR {  777}
   (( segid " 1SG" and resid 65   and name HD1 ))
   (( segid " 1SG" and resid 65   and name HB1 ))
 OR {  777}
   (( segid " 1SG" and resid 65   and name HD1 ))
   (( segid " 1SG" and resid 65   and name HB2 ))
 ASSI {  778}
   (  segid " 1SG" and resid 39   and name HG2%)
   (  segid " 1SG" and resid 91   and name HG2%)
      2.200     0.600     0.600 peak   778 spectrum    1 weight  0.10000E+01 volume  0.47512E-02 ppm1     -0.446 ppm2      0.165 CV     1
 ASSI {  784}
   (( segid " 1SG" and resid 29   and name HA  ))
   (( segid " 1SG" and resid 6    and name HA  ))
      2.800     2.800     3.200 peak   784 spectrum    1 weight  0.10000E+01 volume  0.47357E-02 ppm1      4.446 ppm2      4.446 CV     1
 ASSI {  787}
   (( segid " 1SG" and resid 61   and name HB2 ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      2.800     2.800     3.200 peak   787 spectrum    1 weight  0.10000E+01 volume  0.47145E-02 ppm1      2.304 ppm2      2.785 CV     1
 ASSI {  794}
   (( segid " 1SG" and resid 38   and name HA  ))
   (  segid " 1SG" and resid 38   and name HG1%)
      2.400     0.700     0.700 peak   794 spectrum    1 weight  0.10000E+01 volume  0.46687E-02 ppm1      3.904 ppm2      0.841 CV     1
 ASSI {  795}
   (( segid " 1SG" and resid 30   and name HA1 ))
   (( segid " 1SG" and resid 30   and name HA2 ))
      2.100     0.500     0.500 peak   795 spectrum    1 weight  0.10000E+01 volume  0.46684E-02 ppm1      3.952 ppm2      4.673 CV     1
 ASSI {  798}
   (( segid " 1SG" and resid 35   and name HE1 ))
   (  segid " 1SG" and resid 38   and name HG2%)
      2.500     0.800     0.800 peak   798 spectrum    1 weight  0.10000E+01 volume  0.46624E-02 ppm1      2.906 ppm2      0.791 CV     1
 OR {  798}
   (( segid " 1SG" and resid 35   and name HE2 ))
   (  segid " 1SG" and resid 38   and name HG2%)
 ASSI {  801}
   (  segid " 1SG" and resid 28   and name HG2%)
   (  segid " 1SG" and resid 91   and name HG2%)
      2.900     1.000     1.000 peak   801 spectrum    1 weight  0.10000E+01 volume  0.46433E-02 ppm1      0.651 ppm2      0.165 CV     1
 ASSI {  802}
   (( segid " 1SG" and resid 79   and name HA  ))
   (  segid " 1SG" and resid 79   and name HB% )
      2.300     0.700     0.700 peak   802 spectrum    1 weight  0.10000E+01 volume  0.46382E-02 ppm1      3.689 ppm2      1.194 CV     1
 ASSI {  804}
   (  segid " 1SG" and resid 91   and name HG2%)
   (  segid " 1SG" and resid 6    and name HD2%)
      2.300     0.600     0.600 peak   804 spectrum    1 weight  0.10000E+01 volume  0.46337E-02 ppm1      0.186 ppm2      0.489 CV     1
 OR {  804}
   (  segid " 1SG" and resid 91   and name HG1%)
   (  segid " 1SG" and resid 6    and name HD2%)
 ASSI {  808}
   (( segid " 1SG" and resid 57   and name HG  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      2.200     0.600     0.600 peak   808 spectrum    1 weight  0.10000E+01 volume  0.46048E-02 ppm1      0.750 ppm2      1.460 CV     1
 ASSI {  814}
   (( segid " 1SG" and resid 34   and name HA  ))
   (( segid " 1SG" and resid 34   and name HB2 ))
      2.400     0.700     0.700 peak   814 spectrum    1 weight  0.10000E+01 volume  0.45842E-02 ppm1      4.298 ppm2      1.673 CV     1
 OR {  814}
   (( segid " 1SG" and resid 34   and name HA  ))
   (( segid " 1SG" and resid 34   and name HB1 ))
 ASSI {  816}
   (  segid " 1SG" and resid 16   and name HG2%)
   (  segid " 1SG" and resid 79   and name HB% )
      2.300     0.700     0.700 peak   816 spectrum    1 weight  0.10000E+01 volume  0.45726E-02 ppm1      0.628 ppm2      1.196 CV     1
 ASSI {  818}
   (( segid " 1SG" and resid 12   and name HG1 ))
   (( segid " 1SG" and resid 12   and name HB2 ))
      2.400     0.700     0.700 peak   818 spectrum    1 weight  0.10000E+01 volume  0.45646E-02 ppm1      2.482 ppm2      1.977 CV     1
 OR {  818}
   (( segid " 1SG" and resid 12   and name HG2 ))
   (( segid " 1SG" and resid 12   and name HB2 ))
 ASSI {  826}
   (  segid " 1SG" and resid 26   and name HB% )
   (( segid " 1SG" and resid 26   and name HA  ))
      2.300     0.600     0.600 peak   826 spectrum    1 weight  0.10000E+01 volume  0.45088E-02 ppm1      1.469 ppm2      4.924 CV     1
 ASSI {  828}
   (( segid " 1SG" and resid 80   and name HG1 ))
   (( segid " 1SG" and resid 80   and name HB2 ))
      2.400     0.700     0.700 peak   828 spectrum    1 weight  0.10000E+01 volume  0.44753E-02 ppm1      2.181 ppm2      1.949 CV     1
 OR {  828}
   (( segid " 1SG" and resid 80   and name HG1 ))
   (( segid " 1SG" and resid 80   and name HB1 ))
 OR {  828}
   (( segid " 1SG" and resid 80   and name HG2 ))
   (( segid " 1SG" and resid 80   and name HB2 ))
 OR {  828}
   (( segid " 1SG" and resid 80   and name HG2 ))
   (( segid " 1SG" and resid 80   and name HB1 ))
 ASSI {  833}
   (  segid " 1SG" and resid 47   and name HG2%)
   (( segid " 1SG" and resid 47   and name HB  ))
      2.300     0.700     0.700 peak   833 spectrum    1 weight  0.10000E+01 volume  0.43716E-02 ppm1      0.794 ppm2      2.534 CV     1
 ASSI {  836}
   (  segid " 1SG" and resid 4    and name HG2%)
   (( segid " 1SG" and resid 4    and name HB  ))
      2.200     0.600     0.600 peak   836 spectrum    1 weight  0.10000E+01 volume  0.43320E-02 ppm1      0.914 ppm2      2.051 CV     1
 ASSI {  837}
   (  segid " 1SG" and resid 33   and name HD1%)
   (  segid " 1SG" and resid 93   and name HG2%)
      2.500     0.800     0.800 peak   837 spectrum    1 weight  0.10000E+01 volume  0.43308E-02 ppm1      0.872 ppm2      1.036 CV     1
 OR {  837}
   (  segid " 1SG" and resid 33   and name HD2%)
   (  segid " 1SG" and resid 93   and name HG2%)
 ASSI {  845}
   (  segid " 1SG" and resid 23   and name HG2%)
   (( segid " 1SG" and resid 23   and name HA  ))
      2.500     0.800     0.800 peak   845 spectrum    1 weight  0.10000E+01 volume  0.42910E-02 ppm1      0.784 ppm2      5.116 CV     1
 ASSI {  852}
   (( segid " 1SG" and resid 45   and name HD1 ))
   (( segid " 1SG" and resid 45   and name HG2 ))
      2.400     0.700     0.700 peak   852 spectrum    1 weight  0.10000E+01 volume  0.42600E-02 ppm1      1.241 ppm2      0.603 CV     1
 OR {  852}
   (( segid " 1SG" and resid 45   and name HD2 ))
   (( segid " 1SG" and resid 45   and name HG2 ))
 OR {  852}
   (( segid " 1SG" and resid 45   and name HD2 ))
   (( segid " 1SG" and resid 45   and name HB2 ))
 OR {  852}
   (( segid " 1SG" and resid 45   and name HD1 ))
   (( segid " 1SG" and resid 45   and name HB2 ))
 ASSI {  854}
   (  segid " 1SG" and resid 39   and name HG2%)
   (( segid " 1SG" and resid 39   and name HB  ))
      2.300     0.700     0.700 peak   854 spectrum    1 weight  0.10000E+01 volume  0.42360E-02 ppm1     -0.446 ppm2      0.589 CV     1
 ASSI {  857}
   (  segid " 1SG" and resid 47   and name HG1%)
   (( segid " 1SG" and resid 47   and name HB  ))
      2.400     0.700     0.700 peak   857 spectrum    1 weight  0.10000E+01 volume  0.41951E-02 ppm1      0.995 ppm2      2.528 CV     1
 ASSI {  859}
   (  segid " 1SG" and resid 104  and name HD2%)
   (  segid " 1SG" and resid 16   and name HG2%)
      2.600     0.900     0.900 peak   859 spectrum    1 weight  0.10000E+01 volume  0.41757E-02 ppm1      0.837 ppm2      0.615 CV     1
 ASSI {  862}
   (  segid " 1SG" and resid 16   and name HG2%)
   (  segid " 1SG" and resid 106  and name HG2%)
      2.500     0.800     0.800 peak   862 spectrum    1 weight  0.10000E+01 volume  0.41664E-02 ppm1      0.633 ppm2      0.390 CV     1
 ASSI {  866}
   (( segid " 1SG" and resid 55   and name HG2 ))
   (( segid " 1SG" and resid 55   and name HA  ))
      2.500     0.800     0.800 peak   866 spectrum    1 weight  0.10000E+01 volume  0.41403E-02 ppm1      1.990 ppm2      4.001 CV     1
 OR {  866}
   (( segid " 1SG" and resid 55   and name HG1 ))
   (( segid " 1SG" and resid 55   and name HA  ))
 ASSI {  867}
   (  segid " 1SG" and resid 59   and name HD2%)
   (( segid " 1SG" and resid 59   and name HA  ))
      2.400     0.700     0.700 peak   867 spectrum    1 weight  0.10000E+01 volume  0.41265E-02 ppm1      0.713 ppm2      5.190 CV     1
 ASSI {  873}
   (( segid " 1SG" and resid 91   and name HB  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      2.300     0.600     0.600 peak   873 spectrum    1 weight  0.10000E+01 volume  0.40987E-02 ppm1      1.132 ppm2      0.172 CV     1
 ASSI {  882}
   (( segid " 1SG" and resid 38   and name HA  ))
   (  segid " 1SG" and resid 38   and name HG2%)
      2.600     0.800     0.800 peak   882 spectrum    1 weight  0.10000E+01 volume  0.40417E-02 ppm1      3.900 ppm2      0.791 CV     1
 ASSI {  885}
   (( segid " 1SG" and resid 62   and name HB2 ))
   (( segid " 1SG" and resid 62   and name HA  ))
      2.700     0.900     0.900 peak   885 spectrum    1 weight  0.10000E+01 volume  0.40282E-02 ppm1      3.814 ppm2      4.609 CV     1
 ASSI {  887}
   (  segid " 1SG" and resid 93   and name HG2%)
   (( segid " 1SG" and resid 93   and name HA  ))
      2.300     0.700     0.700 peak   887 spectrum    1 weight  0.10000E+01 volume  0.40260E-02 ppm1      1.040 ppm2      4.794 CV     1
 ASSI {  892}
   (( segid " 1SG" and resid 18   and name HB  ))
   (( segid " 1SG" and resid 17   and name HB  ))
      2.700     2.700     3.300 peak   892 spectrum    1 weight  0.10000E+01 volume  0.40062E-02 ppm1      1.932 ppm2      4.041 CV     1
 ASSI {  894}
   (( segid " 1SG" and resid 52   and name HD2 ))
   (  segid " 1SG" and resid 47   and name HG1%)
      2.500     2.500     3.500 peak   894 spectrum    1 weight  0.10000E+01 volume  0.39906E-02 ppm1      1.585 ppm2      0.965 CV     1
 OR {  894}
   (( segid " 1SG" and resid 52   and name HD1 ))
   (  segid " 1SG" and resid 47   and name HG1%)
 ASSI {  896}
   (  segid " 1SG" and resid 106  and name HG2%)
   (( segid " 1SG" and resid 106  and name HB  ))
      2.300     0.700     0.700 peak   896 spectrum    1 weight  0.10000E+01 volume  0.39847E-02 ppm1      0.392 ppm2      1.861 CV     1
 ASSI {  897}
   (  segid " 1SG" and resid 4    and name HD1%)
   (( segid " 1SG" and resid 96   and name HB2 ))
      2.400     0.700     0.700 peak   897 spectrum    1 weight  0.10000E+01 volume  0.39802E-02 ppm1      0.965 ppm2      1.581 CV     1
 ASSI {  902}
   (( segid " 1SG" and resid 96   and name HB2 ))
   (( segid " 1SG" and resid 94   and name HD2 ))
      2.200     0.600     0.600 peak   902 spectrum    1 weight  0.10000E+01 volume  0.39593E-02 ppm1      1.580 ppm2      1.690 CV     1
 OR {  902}
   (( segid " 1SG" and resid 96   and name HB2 ))
   (( segid " 1SG" and resid 94   and name HD1 ))
 ASSI {  908}
   (  segid " 1SG" and resid 106  and name HG1%)
   (( segid " 1SG" and resid 106  and name HB  ))
      2.300     0.700     0.700 peak   908 spectrum    1 weight  0.10000E+01 volume  0.39046E-02 ppm1      0.695 ppm2      1.859 CV     1
 ASSI {  910}
   (( segid " 1SG" and resid 96   and name HB2 ))
   (( segid " 1SG" and resid 96   and name HG2 ))
      2.200     0.600     0.600 peak   910 spectrum    1 weight  0.10000E+01 volume  0.38730E-02 ppm1      1.587 ppm2      1.335 CV     1
 OR {  910}
   (( segid " 1SG" and resid 96   and name HB2 ))
   (( segid " 1SG" and resid 96   and name HG1 ))
 ASSI {  913}
   (  segid " 1SG" and resid 59   and name HD1%)
   (( segid " 1SG" and resid 59   and name HG  ))
      2.300     0.600     0.600 peak   913 spectrum    1 weight  0.10000E+01 volume  0.38503E-02 ppm1      0.866 ppm2      1.440 CV     1
 ASSI {  931}
   (( segid " 1SG" and resid 65   and name HB1 ))
   (( segid " 1SG" and resid 65   and name HA  ))
      2.500     0.800     0.800 peak   931 spectrum    1 weight  0.10000E+01 volume  0.37675E-02 ppm1      1.768 ppm2      3.458 CV     1
 OR {  931}
   (( segid " 1SG" and resid 65   and name HB2 ))
   (( segid " 1SG" and resid 65   and name HA  ))
 ASSI {  932}
   (  segid " 1SG" and resid 71   and name HD1%)
   (( segid " 1SG" and resid 71   and name HA  ))
      2.400     0.700     0.700 peak   932 spectrum    1 weight  0.10000E+01 volume  0.37674E-02 ppm1      0.861 ppm2      5.068 CV     1
 ASSI {  934}
   (  segid " 1SG" and resid 39   and name HG1%)
   (( segid " 1SG" and resid 39   and name HB  ))
      2.400     0.700     0.700 peak   934 spectrum    1 weight  0.10000E+01 volume  0.37608E-02 ppm1     -0.065 ppm2      0.591 CV     1
 ASSI {  935}
   (( segid " 1SG" and resid 49   and name HG  ))
   (( segid " 1SG" and resid 49   and name HA  ))
      2.200     0.600     0.600 peak   935 spectrum    1 weight  0.10000E+01 volume  0.37574E-02 ppm1      0.803 ppm2      3.862 CV     1
 ASSI {  937}
   (( segid " 1SG" and resid 86   and name HA1 ))
   (( segid " 1SG" and resid 86   and name HA2 ))
      2.200     0.600     0.600 peak   937 spectrum    1 weight  0.10000E+01 volume  0.37245E-02 ppm1      3.487 ppm2      4.665 CV     1
 ASSI {  944}
   (( segid " 1SG" and resid 51   and name HA  ))
   (( segid " 1SG" and resid 51   and name HB2 ))
      2.500     0.800     0.800 peak   944 spectrum    1 weight  0.10000E+01 volume  0.36741E-02 ppm1      4.566 ppm2      4.025 CV     1
 ASSI {  949}
   (( segid " 1SG" and resid 16   and name HB  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      2.400     0.700     0.700 peak   949 spectrum    1 weight  0.10000E+01 volume  0.36448E-02 ppm1      1.824 ppm2      0.622 CV     1
 ASSI {  952}
   (( segid " 1SG" and resid 95   and name HA  ))
   (( segid " 1SG" and resid 95   and name HB2 ))
      2.500     0.800     0.800 peak   952 spectrum    1 weight  0.10000E+01 volume  0.36408E-02 ppm1      4.737 ppm2      2.633 CV     1
 ASSI {  953}
   (( segid " 1SG" and resid 77   and name HB  ))
   (( segid " 1SG" and resid 77   and name HA  ))
      2.300     0.600     0.600 peak   953 spectrum    1 weight  0.10000E+01 volume  0.36379E-02 ppm1      4.029 ppm2      4.666 CV     1
 ASSI {  955}
   (( segid " 1SG" and resid 53   and name HA  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      2.300     0.700     0.700 peak   955 spectrum    1 weight  0.10000E+01 volume  0.36324E-02 ppm1      4.054 ppm2      1.080 CV     1
 ASSI {  963}
   (  segid " 1SG" and resid 74   and name HD1%)
   (  segid " 1SG" and resid 49   and name HD2%)
      2.300     0.700     0.700 peak   963 spectrum    1 weight  0.10000E+01 volume  0.35856E-02 ppm1      0.410 ppm2      1.032 CV     1
 OR {  963}
   (  segid " 1SG" and resid 74   and name HD2%)
   (  segid " 1SG" and resid 49   and name HD2%)
 ASSI {  965}
   (( segid " 1SG" and resid 3    and name HD1 ))
   (( segid " 1SG" and resid 4    and name HB  ))
      2.800     2.800     3.200 peak   965 spectrum    1 weight  0.10000E+01 volume  0.35803E-02 ppm1      3.857 ppm2      2.022 CV     1
 OR {  965}
   (( segid " 1SG" and resid 3    and name HD2 ))
   (( segid " 1SG" and resid 4    and name HB  ))
 ASSI {  966}
   (( segid " 1SG" and resid 61   and name HA  ))
   (( segid " 1SG" and resid 72   and name HA  ))
      2.000     0.500     0.500 peak   966 spectrum    1 weight  0.10000E+01 volume  0.35741E-02 ppm1      5.559 ppm2      5.379 CV     1
 ASSI {  969}
   (  segid " 1SG" and resid 47   and name HG2%)
   (( segid " 1SG" and resid 47   and name HA  ))
      2.700     0.900     0.900 peak   969 spectrum    1 weight  0.10000E+01 volume  0.35600E-02 ppm1      0.793 ppm2      4.074 CV     1
 ASSI {  972}
   (  segid " 1SG" and resid 106  and name HG1%)
   (( segid " 1SG" and resid 106  and name HA  ))
      2.800     1.000     1.000 peak   972 spectrum    1 weight  0.10000E+01 volume  0.35362E-02 ppm1      0.694 ppm2      4.732 CV     1
 ASSI {  978}
   (  segid " 1SG" and resid 104  and name HD1%)
   (( segid " 1SG" and resid 104  and name HA  ))
      2.800     1.000     1.000 peak   978 spectrum    1 weight  0.10000E+01 volume  0.35183E-02 ppm1      0.981 ppm2      5.437 CV     1
 ASSI {  984}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 104  and name HB2 ))
      2.700     0.900     0.900 peak   984 spectrum    1 weight  0.10000E+01 volume  0.34785E-02 ppm1      0.549 ppm2      1.243 CV     1
 OR {  984}
   (  segid " 1SG" and resid 22   and name HD1%)
   (( segid " 1SG" and resid 104  and name HB2 ))
 ASSI {  990}
   (  segid " 1SG" and resid 18   and name HG2%)
   (( segid " 1SG" and resid 108  and name HA  ))
      2.400     0.700     0.700 peak   990 spectrum    1 weight  0.10000E+01 volume  0.34632E-02 ppm1      0.965 ppm2      4.151 CV     1
 ASSI {  991}
   (( segid " 1SG" and resid 55   and name HB2 ))
   (( segid " 1SG" and resid 55   and name HA  ))
      2.500     0.800     0.800 peak   991 spectrum    1 weight  0.10000E+01 volume  0.34598E-02 ppm1      1.787 ppm2      4.002 CV     1
 ASSI {  992}
   (( segid " 1SG" and resid 106  and name HA  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      2.500     0.800     0.800 peak   992 spectrum    1 weight  0.10000E+01 volume  0.34575E-02 ppm1      4.730 ppm2      0.388 CV     1
 ASSI {  993}
   (  segid " 1SG" and resid 4    and name HG2%)
   (( segid " 1SG" and resid 96   and name HB2 ))
      2.500     0.800     0.800 peak   993 spectrum    1 weight  0.10000E+01 volume  0.34486E-02 ppm1      0.918 ppm2      1.588 CV     1
 ASSI {  996}
   (( segid " 1SG" and resid 74   and name HG  ))
   (  segid " 1SG" and resid 74   and name HD1%)
      2.400     0.700     0.700 peak   996 spectrum    1 weight  0.10000E+01 volume  0.34286E-02 ppm1      1.110 ppm2      0.418 CV     1
 OR {  996}
   (( segid " 1SG" and resid 74   and name HG  ))
   (  segid " 1SG" and resid 74   and name HD2%)
 ASSI { 1004}
   (( segid " 1SG" and resid 33   and name HA  ))
   (( segid " 1SG" and resid 33   and name HB2 ))
      2.400     0.700     0.700 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.33885E-02 ppm1      4.459 ppm2      1.732 CV     1
 ASSI { 1006}
   (( segid " 1SG" and resid 57   and name HA  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      2.200     0.600     0.600 peak  1006 spectrum    1 weight  0.10000E+01 volume  0.33832E-02 ppm1      5.429 ppm2      1.472 CV     1
 ASSI { 1008}
   (( segid " 1SG" and resid 77   and name HA  ))
   (( segid " 1SG" and resid 21   and name HA  ))
      2.100     0.500     0.500 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.33788E-02 ppm1      4.665 ppm2      5.519 CV     1
 ASSI { 1009}
   (( segid " 1SG" and resid 84   and name HA  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      2.500     0.800     0.800 peak  1009 spectrum    1 weight  0.10000E+01 volume  0.33748E-02 ppm1      4.230 ppm2      1.496 CV     1
 ASSI { 1011}
   (  segid " 1SG" and resid 59   and name HD1%)
   (  segid " 1SG" and resid 53   and name HG2%)
      2.400     0.700     0.700 peak  1011 spectrum    1 weight  0.10000E+01 volume  0.33686E-02 ppm1      0.870 ppm2      1.085 CV     1
 ASSI { 1019}
   (( segid " 1SG" and resid 35   and name HA  ))
   (( segid " 1SG" and resid 36   and name HD2 ))
      2.400     0.700     0.700 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.33356E-02 ppm1      4.673 ppm2      3.509 CV     1
 ASSI { 1021}
   (  segid " 1SG" and resid 22   and name HD1%)
   (( segid " 1SG" and resid 22   and name HG12))
      2.400     0.700     0.700 peak  1021 spectrum    1 weight  0.10000E+01 volume  0.33291E-02 ppm1      0.548 ppm2      0.108 CV     1
 OR { 1021}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 22   and name HG12))
 ASSI { 1031}
   (  segid " 1SG" and resid 76   and name HG2%)
   (( segid " 1SG" and resid 80   and name HB2 ))
      2.800     2.800     3.200 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.32991E-02 ppm1      0.825 ppm2      1.940 CV     1
 OR { 1031}
   (  segid " 1SG" and resid 76   and name HG2%)
   (( segid " 1SG" and resid 80   and name HB1 ))
 ASSI { 1037}
   (  segid " 1SG" and resid 91   and name HG2%)
   (( segid " 1SG" and resid 91   and name HA  ))
      2.500     0.800     0.800 peak  1037 spectrum    1 weight  0.10000E+01 volume  0.32683E-02 ppm1      0.180 ppm2      4.756 CV     1
 OR { 1037}
   (  segid " 1SG" and resid 91   and name HG1%)
   (( segid " 1SG" and resid 91   and name HA  ))
 ASSI { 1038}
   (( segid " 1SG" and resid 53   and name HB  ))
   (( segid " 1SG" and resid 52   and name HB2 ))
      3.100     3.100     2.900 peak  1038 spectrum    1 weight  0.10000E+01 volume  0.32680E-02 ppm1      2.169 ppm2      1.731 CV     1
 ASSI { 1047}
   (( segid " 1SG" and resid 16   and name HB  ))
   (( segid " 1SG" and resid 16   and name HA  ))
      2.500     0.800     0.800 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.32282E-02 ppm1      1.820 ppm2      4.604 CV     1
 ASSI { 1051}
   (( segid " 1SG" and resid 43   and name HD2 ))
   (  segid " 1SG" and resid 59   and name HD1%)
      3.200     3.200     2.800 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.32163E-02 ppm1      1.331 ppm2      0.856 CV     1
 OR { 1051}
   (( segid " 1SG" and resid 43   and name HD1 ))
   (  segid " 1SG" and resid 59   and name HD1%)
 ASSI { 1055}
   (( segid " 1SG" and resid 71   and name HB2 ))
   (( segid " 1SG" and resid 69   and name HB  ))
      2.500     2.500     3.500 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.32034E-02 ppm1      1.264 ppm2      1.770 CV     1
 ASSI { 1057}
   (  segid " 1SG" and resid 79   and name HB% )
   (  segid " 1SG" and resid 106  and name HG2%)
      2.500     0.800     0.800 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.31996E-02 ppm1      1.196 ppm2      0.392 CV     1
 ASSI { 1058}
   (( segid " 1SG" and resid 94   and name HB2 ))
   (( segid " 1SG" and resid 94   and name HG1 ))
      2.500     0.800     0.800 peak  1058 spectrum    1 weight  0.10000E+01 volume  0.31925E-02 ppm1      1.791 ppm2      1.414 CV     1
 OR { 1058}
   (( segid " 1SG" and resid 94   and name HB2 ))
   (( segid " 1SG" and resid 94   and name HG2 ))
 ASSI { 1065}
   (( segid " 1SG" and resid 45   and name HG2 ))
   (  segid " 1SG" and resid 104  and name HD2%)
      2.800     2.800     3.200 peak  1065 spectrum    1 weight  0.10000E+01 volume  0.31641E-02 ppm1      0.602 ppm2      0.823 CV     1
 ASSI { 1068}
   (( segid " 1SG" and resid 35   and name HB1 ))
   (( segid " 1SG" and resid 35   and name HG2 ))
      2.500     0.800     0.800 peak  1068 spectrum    1 weight  0.10000E+01 volume  0.31447E-02 ppm1      1.791 ppm2      1.358 CV     1
 OR { 1068}
   (( segid " 1SG" and resid 35   and name HB2 ))
   (( segid " 1SG" and resid 35   and name HG2 ))
 OR { 1068}
   (( segid " 1SG" and resid 35   and name HB1 ))
   (( segid " 1SG" and resid 35   and name HG1 ))
 OR { 1068}
   (( segid " 1SG" and resid 35   and name HB2 ))
   (( segid " 1SG" and resid 35   and name HG1 ))
 ASSI { 1077}
   (  segid " 1SG" and resid 69   and name HG1%)
   (( segid " 1SG" and resid 29   and name HA  ))
      2.600     0.800     0.800 peak  1077 spectrum    1 weight  0.10000E+01 volume  0.31055E-02 ppm1      0.863 ppm2      4.391 CV     1
 OR { 1077}
   (  segid " 1SG" and resid 69   and name HG2%)
   (( segid " 1SG" and resid 29   and name HA  ))
 ASSI { 1078}
   (( segid " 1SG" and resid 76   and name HB  ))
   (  segid " 1SG" and resid 76   and name HG2%)
      2.400     0.700     0.700 peak  1078 spectrum    1 weight  0.10000E+01 volume  0.30854E-02 ppm1      1.936 ppm2      0.826 CV     1
 ASSI { 1080}
   (( segid " 1SG" and resid 58   and name HB1 ))
   (( segid " 1SG" and resid 58   and name HG2 ))
      2.500     0.800     0.800 peak  1080 spectrum    1 weight  0.10000E+01 volume  0.30789E-02 ppm1      2.406 ppm2      1.814 CV     1
 OR { 1080}
   (( segid " 1SG" and resid 58   and name HB2 ))
   (( segid " 1SG" and resid 58   and name HG2 ))
 ASSI { 1081}
   (( segid " 1SG" and resid 76   and name HB  ))
   (  segid " 1SG" and resid 22   and name HG2%)
      2.400     2.400     3.600 peak  1081 spectrum    1 weight  0.10000E+01 volume  0.30771E-02 ppm1      1.938 ppm2      0.610 CV     1
 ASSI { 1082}
   (( segid " 1SG" and resid 57   and name HG  ))
   (  segid " 1SG" and resid 74   and name HD1%)
      2.900     1.000     1.000 peak  1082 spectrum    1 weight  0.10000E+01 volume  0.30730E-02 ppm1      0.751 ppm2      0.415 CV     1
 OR { 1082}
   (( segid " 1SG" and resid 57   and name HG  ))
   (  segid " 1SG" and resid 74   and name HD2%)
 ASSI { 1083}
   (( segid " 1SG" and resid 22   and name HG12))
   (( segid " 1SG" and resid 104  and name HB2 ))
      2.300     0.700     0.700 peak  1083 spectrum    1 weight  0.10000E+01 volume  0.30722E-02 ppm1      0.106 ppm2      1.251 CV     1
 ASSI { 1088}
   (  segid " 1SG" and resid 39   and name HG2%)
   (( segid " 1SG" and resid 39   and name HA  ))
      2.500     0.800     0.800 peak  1088 spectrum    1 weight  0.10000E+01 volume  0.30682E-02 ppm1     -0.447 ppm2      4.803 CV     1
 ASSI { 1092}
   (( segid " 1SG" and resid 18   and name HA  ))
   (  segid " 1SG" and resid 18   and name HG2%)
      2.500     0.800     0.800 peak  1092 spectrum    1 weight  0.10000E+01 volume  0.30434E-02 ppm1      3.510 ppm2      0.968 CV     1
 OR { 1092}
   (( segid " 1SG" and resid 18   and name HA  ))
   (  segid " 1SG" and resid 18   and name HG1%)
 ASSI { 1095}
   (( segid " 1SG" and resid 9    and name HG2 ))
   (( segid " 1SG" and resid 9    and name HB2 ))
      2.600     0.900     0.900 peak  1095 spectrum    1 weight  0.10000E+01 volume  0.30344E-02 ppm1      2.524 ppm2      1.911 CV     1
 ASSI { 1097}
   (( segid " 1SG" and resid 18   and name HA  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      2.400     0.700     0.700 peak  1097 spectrum    1 weight  0.10000E+01 volume  0.30249E-02 ppm1      3.516 ppm2      0.390 CV     1
 ASSI { 1101}
   (  segid " 1SG" and resid 28   and name HG1%)
   (  segid " 1SG" and resid 91   and name HG2%)
      2.500     0.800     0.800 peak  1101 spectrum    1 weight  0.10000E+01 volume  0.29985E-02 ppm1      0.830 ppm2      0.179 CV     1
 OR { 1101}
   (  segid " 1SG" and resid 28   and name HG1%)
   (  segid " 1SG" and resid 91   and name HG1%)
 ASSI { 1102}
   (( segid " 1SG" and resid 27   and name HD1 ))
   (( segid " 1SG" and resid 27   and name HG1 ))
      2.500     0.800     0.800 peak  1102 spectrum    1 weight  0.10000E+01 volume  0.29944E-02 ppm1      3.131 ppm2      1.704 CV     1
 OR { 1102}
   (( segid " 1SG" and resid 27   and name HD2 ))
   (( segid " 1SG" and resid 27   and name HG2 ))
 OR { 1102}
   (( segid " 1SG" and resid 27   and name HD1 ))
   (( segid " 1SG" and resid 27   and name HG2 ))
 OR { 1102}
   (( segid " 1SG" and resid 27   and name HD2 ))
   (( segid " 1SG" and resid 27   and name HG1 ))
 ASSI { 1105}
   (  segid " 1SG" and resid 28   and name HG2%)
   (( segid " 1SG" and resid 28   and name HA  ))
      2.600     0.800     0.800 peak  1105 spectrum    1 weight  0.10000E+01 volume  0.29720E-02 ppm1      0.652 ppm2      4.910 CV     1
 ASSI { 1109}
   (( segid " 1SG" and resid 3    and name HB1 ))
   (( segid " 1SG" and resid 3    and name HA  ))
      2.500     0.800     0.800 peak  1109 spectrum    1 weight  0.10000E+01 volume  0.29632E-02 ppm1      2.293 ppm2      4.452 CV     1
 OR { 1109}
   (( segid " 1SG" and resid 3    and name HB2 ))
   (( segid " 1SG" and resid 3    and name HA  ))
 ASSI { 1115}
   (( segid " 1SG" and resid 52   and name HD1 ))
   (( segid " 1SG" and resid 52   and name HA  ))
      2.600     0.800     0.800 peak  1115 spectrum    1 weight  0.10000E+01 volume  0.29565E-02 ppm1      1.579 ppm2      4.625 CV     1
 OR { 1115}
   (( segid " 1SG" and resid 52   and name HD2 ))
   (( segid " 1SG" and resid 52   and name HA  ))
 ASSI { 1118}
   (( segid " 1SG" and resid 43   and name HD1 ))
   (  segid " 1SG" and resid 47   and name HG1%)
      2.700     0.900     0.900 peak  1118 spectrum    1 weight  0.10000E+01 volume  0.29377E-02 ppm1      1.324 ppm2      0.983 CV     1
 OR { 1118}
   (( segid " 1SG" and resid 43   and name HD2 ))
   (  segid " 1SG" and resid 47   and name HG1%)
 ASSI { 1127}
   (( segid " 1SG" and resid 107  and name HA  ))
   (( segid " 1SG" and resid 107  and name HB2 ))
      2.600     0.800     0.800 peak  1127 spectrum    1 weight  0.10000E+01 volume  0.29053E-02 ppm1      4.805 ppm2      3.085 CV     1
 OR { 1127}
   (( segid " 1SG" and resid 107  and name HA  ))
   (( segid " 1SG" and resid 107  and name HB1 ))
 ASSI { 1129}
   (( segid " 1SG" and resid 96   and name HA  ))
   (( segid " 1SG" and resid 96   and name HG1 ))
      2.400     0.700     0.700 peak  1129 spectrum    1 weight  0.10000E+01 volume  0.28983E-02 ppm1      4.790 ppm2      1.336 CV     1
 OR { 1129}
   (( segid " 1SG" and resid 96   and name HA  ))
   (( segid " 1SG" and resid 96   and name HG2 ))
 ASSI { 1135}
   (  segid " 1SG" and resid 59   and name HD2%)
   (( segid " 1SG" and resid 74   and name HA  ))
      2.900     1.100     1.100 peak  1135 spectrum    1 weight  0.10000E+01 volume  0.28844E-02 ppm1      0.717 ppm2      4.346 CV     1
 ASSI { 1151}
   (( segid " 1SG" and resid 18   and name HA  ))
   (  segid " 1SG" and resid 18   and name HG1%)
      2.600     0.800     0.800 peak  1151 spectrum    1 weight  0.10000E+01 volume  0.28412E-02 ppm1      3.513 ppm2      1.007 CV     1
 ASSI { 1152}
   (  segid " 1SG" and resid 69   and name HG1%)
   (( segid " 1SG" and resid 27   and name HD2 ))
      2.500     0.800     0.800 peak  1152 spectrum    1 weight  0.10000E+01 volume  0.28410E-02 ppm1      0.852 ppm2      3.126 CV     1
 OR { 1152}
   (  segid " 1SG" and resid 69   and name HG1%)
   (( segid " 1SG" and resid 27   and name HD1 ))
 ASSI { 1153}
   (( segid " 1SG" and resid 17   and name HA  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      2.600     0.800     0.800 peak  1153 spectrum    1 weight  0.10000E+01 volume  0.28405E-02 ppm1      4.789 ppm2      1.298 CV     1
 ASSI { 1154}
   (( segid " 1SG" and resid 15   and name HA  ))
   (( segid " 1SG" and resid 15   and name HB2 ))
      2.600     0.800     0.800 peak  1154 spectrum    1 weight  0.10000E+01 volume  0.28399E-02 ppm1      5.494 ppm2      2.015 CV     1
 OR { 1154}
   (( segid " 1SG" and resid 15   and name HA  ))
   (( segid " 1SG" and resid 15   and name HB1 ))
 ASSI { 1155}
   (( segid " 1SG" and resid 71   and name HB2 ))
   (  segid " 1SG" and resid 8    and name HG2%)
      2.100     2.100     3.900 peak  1155 spectrum    1 weight  0.10000E+01 volume  0.28368E-02 ppm1      1.326 ppm2      0.961 CV     1
 OR { 1155}
   (( segid " 1SG" and resid 71   and name HB2 ))
   (  segid " 1SG" and resid 8    and name HG1%)
 ASSI { 1156}
   (  segid " 1SG" and resid 59   and name HD2%)
   (( segid " 1SG" and resid 59   and name HB2 ))
      2.600     0.800     0.800 peak  1156 spectrum    1 weight  0.10000E+01 volume  0.28340E-02 ppm1      0.714 ppm2      1.697 CV     1
 OR { 1156}
   (  segid " 1SG" and resid 59   and name HD2%)
   (( segid " 1SG" and resid 59   and name HB1 ))
 ASSI { 1161}
   (( segid " 1SG" and resid 59   and name HB2 ))
   (  segid " 1SG" and resid 59   and name HD1%)
      2.400     0.700     0.700 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.28088E-02 ppm1      1.712 ppm2      0.868 CV     1
 OR { 1161}
   (( segid " 1SG" and resid 59   and name HB1 ))
   (  segid " 1SG" and resid 59   and name HD1%)
 ASSI { 1176}
   (  segid " 1SG" and resid 4    and name HG2%)
   (  segid " 1SG" and resid 6    and name HD2%)
      3.000     1.200     1.200 peak  1176 spectrum    1 weight  0.10000E+01 volume  0.27513E-02 ppm1      0.914 ppm2      0.491 CV     1
 ASSI { 1183}
   (( segid " 1SG" and resid 45   and name HA  ))
   (( segid " 1SG" and resid 45   and name HB2 ))
      2.600     0.900     0.900 peak  1183 spectrum    1 weight  0.10000E+01 volume  0.27322E-02 ppm1      3.497 ppm2      0.609 CV     1
 OR { 1183}
   (( segid " 1SG" and resid 45   and name HA  ))
   (( segid " 1SG" and resid 45   and name HG2 ))
 ASSI { 1189}
   (( segid " 1SG" and resid 94   and name HA  ))
   (( segid " 1SG" and resid 94   and name HB2 ))
      2.700     0.900     0.900 peak  1189 spectrum    1 weight  0.10000E+01 volume  0.27220E-02 ppm1      4.042 ppm2      1.799 CV     1
 ASSI { 1190}
   (( segid " 1SG" and resid 2    and name HB2 ))
   (( segid " 1SG" and resid 1    and name HA  ))
      3.100     1.200     1.200 peak  1190 spectrum    1 weight  0.10000E+01 volume  0.27208E-02 ppm1      2.684 ppm2      4.619 CV     1
 ASSI { 1191}
   (  segid " 1SG" and resid 76   and name HD1%)
   (( segid " 1SG" and resid 59   and name HG  ))
      2.200     2.200     3.800 peak  1191 spectrum    1 weight  0.10000E+01 volume  0.27178E-02 ppm1      0.677 ppm2      1.411 CV     1
 ASSI { 1193}
   (( segid " 1SG" and resid 43   and name HE2 ))
   (( segid " 1SG" and resid 43   and name HD1 ))
      2.500     0.800     0.800 peak  1193 spectrum    1 weight  0.10000E+01 volume  0.27136E-02 ppm1      2.518 ppm2      1.326 CV     1
 OR { 1193}
   (( segid " 1SG" and resid 43   and name HE2 ))
   (( segid " 1SG" and resid 43   and name HD2 ))
 ASSI { 1202}
   (( segid " 1SG" and resid 2    and name HB2 ))
   (( segid " 1SG" and resid 96   and name HE1 ))
      3.100     3.100     2.900 peak  1202 spectrum    1 weight  0.10000E+01 volume  0.26538E-02 ppm1      2.692 ppm2      2.944 CV     1
 OR { 1202}
   (( segid " 1SG" and resid 2    and name HB2 ))
   (( segid " 1SG" and resid 96   and name HE2 ))
 ASSI { 1205}
   (  segid " 1SG" and resid 28   and name HG2%)
   (( segid " 1SG" and resid 28   and name HB  ))
      2.600     0.800     0.800 peak  1205 spectrum    1 weight  0.10000E+01 volume  0.26475E-02 ppm1      0.652 ppm2      1.978 CV     1
 ASSI { 1215}
   (( segid " 1SG" and resid 25   and name HB2 ))
   (  segid " 1SG" and resid 71   and name HD1%)
      2.700     0.900     0.900 peak  1215 spectrum    1 weight  0.10000E+01 volume  0.26070E-02 ppm1      3.603 ppm2      0.862 CV     1
 ASSI { 1219}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 22   and name HB  ))
      2.400     0.700     0.700 peak  1219 spectrum    1 weight  0.10000E+01 volume  0.25968E-02 ppm1      0.612 ppm2      1.535 CV     1
 ASSI { 1220}
   (  segid " 1SG" and resid 28   and name HG1%)
   (( segid " 1SG" and resid 28   and name HB  ))
      2.500     0.800     0.800 peak  1220 spectrum    1 weight  0.10000E+01 volume  0.25883E-02 ppm1      0.816 ppm2      1.976 CV     1
 ASSI { 1223}
   (( segid " 1SG" and resid 53   and name HB  ))
   (( segid " 1SG" and resid 53   and name HA  ))
      2.600     0.900     0.900 peak  1223 spectrum    1 weight  0.10000E+01 volume  0.25774E-02 ppm1      2.132 ppm2      4.051 CV     1
 ASSI { 1236}
   (( segid " 1SG" and resid 59   and name HA  ))
   (( segid " 1SG" and resid 59   and name HB1 ))
      2.400     0.700     0.700 peak  1236 spectrum    1 weight  0.10000E+01 volume  0.25444E-02 ppm1      5.198 ppm2      1.702 CV     1
 OR { 1236}
   (( segid " 1SG" and resid 59   and name HA  ))
   (( segid " 1SG" and resid 59   and name HB2 ))
 ASSI { 1239}
   (( segid " 1SG" and resid 64   and name HA  ))
   (( segid " 1SG" and resid 64   and name HB2 ))
      2.800     1.000     1.000 peak  1239 spectrum    1 weight  0.10000E+01 volume  0.25398E-02 ppm1      4.580 ppm2      2.354 CV     1
 ASSI { 1242}
   (( segid " 1SG" and resid 43   and name HD2 ))
   (( segid " 1SG" and resid 57   and name HG  ))
      2.500     0.800     0.800 peak  1242 spectrum    1 weight  0.10000E+01 volume  0.25335E-02 ppm1      1.333 ppm2      0.743 CV     1
 OR { 1242}
   (( segid " 1SG" and resid 43   and name HD1 ))
   (( segid " 1SG" and resid 57   and name HG  ))
 ASSI { 1243}
   (( segid " 1SG" and resid 22   and name HG12))
   (  segid " 1SG" and resid 22   and name HD1%)
      2.500     0.800     0.800 peak  1243 spectrum    1 weight  0.10000E+01 volume  0.25295E-02 ppm1      0.102 ppm2      0.551 CV     1
 ASSI { 1244}
   (( segid " 1SG" and resid 52   and name HE2 ))
   (( segid " 1SG" and resid 52   and name HD2 ))
      2.500     0.800     0.800 peak  1244 spectrum    1 weight  0.10000E+01 volume  0.25266E-02 ppm1      2.788 ppm2      1.574 CV     1
 OR { 1244}
   (( segid " 1SG" and resid 52   and name HE2 ))
   (( segid " 1SG" and resid 52   and name HD1 ))
 ASSI { 1246}
   (  segid " 1SG" and resid 104  and name HD1%)
   (( segid " 1SG" and resid 104  and name HB2 ))
      2.300     0.700     0.700 peak  1246 spectrum    1 weight  0.10000E+01 volume  0.25227E-02 ppm1      0.976 ppm2      1.219 CV     1
 ASSI { 1251}
   (( segid " 1SG" and resid 80   and name HA  ))
   (( segid " 1SG" and resid 81   and name HD2 ))
      2.500     0.800     0.800 peak  1251 spectrum    1 weight  0.10000E+01 volume  0.25081E-02 ppm1      4.639 ppm2      3.592 CV     1
 ASSI { 1254}
   (( segid " 1SG" and resid 57   and name HA  ))
   (( segid " 1SG" and resid 76   and name HA  ))
      2.300     0.600     0.600 peak  1254 spectrum    1 weight  0.10000E+01 volume  0.25016E-02 ppm1      5.425 ppm2      5.012 CV     1
 ASSI { 1255}
   (( segid " 1SG" and resid 45   and name HB2 ))
   (  segid " 1SG" and resid 104  and name HD2%)
      2.800     2.800     3.200 peak  1255 spectrum    1 weight  0.10000E+01 volume  0.25009E-02 ppm1      0.615 ppm2      0.827 CV     1
 ASSI { 1259}
   (( segid " 1SG" and resid 22   and name HA  ))
   (( segid " 1SG" and resid 22   and name HB  ))
      2.400     0.700     0.700 peak  1259 spectrum    1 weight  0.10000E+01 volume  0.24937E-02 ppm1      4.352 ppm2      1.534 CV     1
 ASSI { 1267}
   (( segid " 1SG" and resid 59   and name HG  ))
   (( segid " 1SG" and resid 57   and name HG  ))
      3.400     3.400     2.600 peak  1267 spectrum    1 weight  0.10000E+01 volume  0.24688E-02 ppm1      1.460 ppm2      0.749 CV     1
 ASSI { 1272}
   (( segid " 1SG" and resid 58   and name HA  ))
   (( segid " 1SG" and resid 58   and name HB1 ))
      2.600     0.800     0.800 peak  1272 spectrum    1 weight  0.10000E+01 volume  0.24550E-02 ppm1      4.626 ppm2      2.405 CV     1
 OR { 1272}
   (( segid " 1SG" and resid 58   and name HA  ))
   (( segid " 1SG" and resid 58   and name HB2 ))
 ASSI { 1274}
   (( segid " 1SG" and resid 65   and name HA  ))
   (( segid " 1SG" and resid 65   and name HG2 ))
      2.700     0.900     0.900 peak  1274 spectrum    1 weight  0.10000E+01 volume  0.24448E-02 ppm1      3.458 ppm2      1.692 CV     1
 OR { 1274}
   (( segid " 1SG" and resid 65   and name HA  ))
   (( segid " 1SG" and resid 65   and name HG1 ))
 ASSI { 1282}
   (( segid " 1SG" and resid 78   and name HA  ))
   (( segid " 1SG" and resid 78   and name HB2 ))
      2.700     0.900     0.900 peak  1282 spectrum    1 weight  0.10000E+01 volume  0.24294E-02 ppm1      4.117 ppm2      2.383 CV     1
 ASSI { 1285}
   (  segid " 1SG" and resid 8    and name HG2%)
   (( segid " 1SG" and resid 29   and name HA  ))
      2.800     1.000     1.000 peak  1285 spectrum    1 weight  0.10000E+01 volume  0.24244E-02 ppm1      0.964 ppm2      4.391 CV     1
 OR { 1285}
   (  segid " 1SG" and resid 8    and name HG1%)
   (( segid " 1SG" and resid 29   and name HA  ))
 ASSI { 1286}
   (  segid " 1SG" and resid 8    and name HG2%)
   (  segid " 1SG" and resid 6    and name HD2%)
      3.000     3.000     3.000 peak  1286 spectrum    1 weight  0.10000E+01 volume  0.24237E-02 ppm1      0.928 ppm2      0.476 CV     1
 ASSI { 1288}
   (( segid " 1SG" and resid 96   and name HA  ))
   (( segid " 1SG" and resid 94   and name HE1 ))
      2.800     1.000     1.000 peak  1288 spectrum    1 weight  0.10000E+01 volume  0.24080E-02 ppm1      4.809 ppm2      3.001 CV     1
 OR { 1288}
   (( segid " 1SG" and resid 96   and name HA  ))
   (( segid " 1SG" and resid 94   and name HE2 ))
 ASSI { 1295}
   (  segid " 1SG" and resid 76   and name HG2%)
   (  segid " 1SG" and resid 79   and name HB% )
      2.800     1.000     1.000 peak  1295 spectrum    1 weight  0.10000E+01 volume  0.23959E-02 ppm1      0.828 ppm2      1.193 CV     1
 ASSI { 1297}
   (( segid " 1SG" and resid 52   and name HE2 ))
   (( segid " 1SG" and resid 52   and name HG1 ))
      2.800     1.000     1.000 peak  1297 spectrum    1 weight  0.10000E+01 volume  0.23926E-02 ppm1      2.788 ppm2      1.344 CV     1
 OR { 1297}
   (( segid " 1SG" and resid 52   and name HE2 ))
   (( segid " 1SG" and resid 52   and name HG2 ))
 ASSI { 1298}
   (( segid " 1SG" and resid 49   and name HG  ))
   (( segid " 1SG" and resid 43   and name HB2 ))
      2.300     0.600     0.600 peak  1298 spectrum    1 weight  0.10000E+01 volume  0.23902E-02 ppm1      0.801 ppm2      1.228 CV     1
 ASSI { 1302}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 22   and name HG12))
      2.500     0.800     0.800 peak  1302 spectrum    1 weight  0.10000E+01 volume  0.23818E-02 ppm1      0.611 ppm2      0.097 CV     1
 ASSI { 1303}
   (( segid " 1SG" and resid 94   and name HG2 ))
   (( segid " 1SG" and resid 94   and name HA  ))
      3.100     1.200     1.200 peak  1303 spectrum    1 weight  0.10000E+01 volume  0.23815E-02 ppm1      1.416 ppm2      4.044 CV     1
 OR { 1303}
   (( segid " 1SG" and resid 94   and name HG1 ))
   (( segid " 1SG" and resid 94   and name HA  ))
 ASSI { 1309}
   (( segid " 1SG" and resid 96   and name HA  ))
   (( segid " 1SG" and resid 96   and name HB2 ))
      2.500     0.800     0.800 peak  1309 spectrum    1 weight  0.10000E+01 volume  0.23745E-02 ppm1      4.786 ppm2      1.579 CV     1
 ASSI { 1319}
   (  segid " 1SG" and resid 76   and name HG2%)
   (( segid " 1SG" and resid 76   and name HA  ))
      2.500     0.800     0.800 peak  1319 spectrum    1 weight  0.10000E+01 volume  0.23528E-02 ppm1      0.823 ppm2      5.012 CV     1
 ASSI { 1324}
   (  segid " 1SG" and resid 6    and name HD2%)
   (  segid " 1SG" and resid 93   and name HG2%)
      2.900     1.000     1.000 peak  1324 spectrum    1 weight  0.10000E+01 volume  0.23425E-02 ppm1      0.426 ppm2      1.033 CV     1
 ASSI { 1327}
   (( segid " 1SG" and resid 68   and name HE1 ))
   (( segid " 1SG" and resid 37   and name HD2 ))
      2.200     2.200     3.800 peak  1327 spectrum    1 weight  0.10000E+01 volume  0.23345E-02 ppm1      3.032 ppm2      2.376 CV     1
 OR { 1327}
   (( segid " 1SG" and resid 68   and name HE2 ))
   (( segid " 1SG" and resid 37   and name HD2 ))
 ASSI { 1333}
   (( segid " 1SG" and resid 3    and name HA  ))
   (( segid " 1SG" and resid 4    and name HB  ))
      3.400     1.400     1.400 peak  1333 spectrum    1 weight  0.10000E+01 volume  0.23167E-02 ppm1      4.450 ppm2      2.008 CV     1
 ASSI { 1335}
   (( segid " 1SG" and resid 27   and name HA  ))
   (( segid " 1SG" and resid 27   and name HB2 ))
      2.500     0.800     0.800 peak  1335 spectrum    1 weight  0.10000E+01 volume  0.23071E-02 ppm1      5.836 ppm2      1.599 CV     1
 OR { 1335}
   (( segid " 1SG" and resid 27   and name HA  ))
   (( segid " 1SG" and resid 27   and name HB1 ))
 ASSI { 1338}
   (( segid " 1SG" and resid 19   and name HA1 ))
   (( segid " 1SG" and resid 78   and name HA  ))
      2.800     0.900     0.900 peak  1338 spectrum    1 weight  0.10000E+01 volume  0.23008E-02 ppm1      4.274 ppm2      4.121 CV     1
 OR { 1338}
   (( segid " 1SG" and resid 19   and name HA2 ))
   (( segid " 1SG" and resid 78   and name HA  ))
 ASSI { 1343}
   (( segid " 1SG" and resid 35   and name HB1 ))
   (( segid " 1SG" and resid 35   and name HA  ))
      2.600     0.800     0.800 peak  1343 spectrum    1 weight  0.10000E+01 volume  0.22940E-02 ppm1      1.791 ppm2      4.667 CV     1
 OR { 1343}
   (( segid " 1SG" and resid 35   and name HB2 ))
   (( segid " 1SG" and resid 35   and name HA  ))
 ASSI { 1346}
   (  segid " 1SG" and resid 69   and name HG2%)
   (( segid " 1SG" and resid 67   and name HB2 ))
      2.800     1.000     1.000 peak  1346 spectrum    1 weight  0.10000E+01 volume  0.22879E-02 ppm1      0.868 ppm2      3.737 CV     1
 OR { 1346}
   (  segid " 1SG" and resid 69   and name HG2%)
   (( segid " 1SG" and resid 67   and name HB1 ))
 ASSI { 1351}
   (( segid " 1SG" and resid 59   and name HB1 ))
   (( segid " 1SG" and resid 59   and name HG  ))
      2.400     0.700     0.700 peak  1351 spectrum    1 weight  0.10000E+01 volume  0.22759E-02 ppm1      1.699 ppm2      1.439 CV     1
 OR { 1351}
   (( segid " 1SG" and resid 59   and name HB2 ))
   (( segid " 1SG" and resid 59   and name HG  ))
 ASSI { 1353}
   (  segid " 1SG" and resid 104  and name HD2%)
   (( segid " 1SG" and resid 104  and name HB2 ))
      3.200     1.300     1.300 peak  1353 spectrum    1 weight  0.10000E+01 volume  0.22746E-02 ppm1      0.836 ppm2      1.210 CV     1
 ASSI { 1356}
   (  segid " 1SG" and resid 91   and name HG2%)
   (  segid " 1SG" and resid 39   and name HG1%)
      3.300     1.300     1.300 peak  1356 spectrum    1 weight  0.10000E+01 volume  0.22593E-02 ppm1      0.170 ppm2     -0.067 CV     1
 OR { 1356}
   (  segid " 1SG" and resid 91   and name HG1%)
   (  segid " 1SG" and resid 39   and name HG1%)
 ASSI { 1365}
   (( segid " 1SG" and resid 34   and name HG  ))
   (( segid " 1SG" and resid 35   and name HG1 ))
      2.700     0.900     0.900 peak  1365 spectrum    1 weight  0.10000E+01 volume  0.22447E-02 ppm1      0.938 ppm2      1.372 CV     1
 OR { 1365}
   (( segid " 1SG" and resid 34   and name HG  ))
   (( segid " 1SG" and resid 35   and name HG2 ))
 ASSI { 1367}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 22   and name HB  ))
      2.500     0.800     0.800 peak  1367 spectrum    1 weight  0.10000E+01 volume  0.22399E-02 ppm1      0.558 ppm2      1.537 CV     1
 OR { 1367}
   (  segid " 1SG" and resid 22   and name HD1%)
   (( segid " 1SG" and resid 22   and name HB  ))
 ASSI { 1368}
   (  segid " 1SG" and resid 106  and name HG2%)
   (( segid " 1SG" and resid 81   and name HA  ))
      2.500     0.800     0.800 peak  1368 spectrum    1 weight  0.10000E+01 volume  0.22392E-02 ppm1      0.389 ppm2      4.015 CV     1
 ASSI { 1375}
   (  segid " 1SG" and resid 4    and name HG2%)
   (  segid " 1SG" and resid 6    and name HD1%)
      2.600     0.800     0.800 peak  1375 spectrum    1 weight  0.10000E+01 volume  0.22156E-02 ppm1      0.911 ppm2      0.677 CV     1
 ASSI { 1378}
   (( segid " 1SG" and resid 68   and name HG1 ))
   (( segid " 1SG" and resid 68   and name HA  ))
      2.600     0.900     0.900 peak  1378 spectrum    1 weight  0.10000E+01 volume  0.22139E-02 ppm1      1.279 ppm2      3.604 CV     1
 OR { 1378}
   (( segid " 1SG" and resid 68   and name HG2 ))
   (( segid " 1SG" and resid 68   and name HA  ))
 ASSI { 1382}
   (  segid " 1SG" and resid 49   and name HD2%)
   (  segid " 1SG" and resid 49   and name HD1%)
      2.400     0.700     0.700 peak  1382 spectrum    1 weight  0.10000E+01 volume  0.22072E-02 ppm1      1.033 ppm2      1.768 CV     1
 ASSI { 1390}
   (( segid " 1SG" and resid 45   and name HE2 ))
   (( segid " 1SG" and resid 45   and name HD2 ))
      2.700     0.900     0.900 peak  1390 spectrum    1 weight  0.10000E+01 volume  0.21901E-02 ppm1      2.582 ppm2      1.239 CV     1
 OR { 1390}
   (( segid " 1SG" and resid 45   and name HE2 ))
   (( segid " 1SG" and resid 45   and name HD1 ))
 ASSI { 1393}
   (  segid " 1SG" and resid 6    and name HD1%)
   (  segid " 1SG" and resid 91   and name HG2%)
      2.900     1.100     1.100 peak  1393 spectrum    1 weight  0.10000E+01 volume  0.21811E-02 ppm1      0.673 ppm2      0.183 CV     1
 OR { 1393}
   (  segid " 1SG" and resid 6    and name HD1%)
   (  segid " 1SG" and resid 91   and name HG1%)
 ASSI { 1397}
   (( segid " 1SG" and resid 22   and name HB  ))
   (  segid " 1SG" and resid 22   and name HD1%)
      2.600     0.900     0.900 peak  1397 spectrum    1 weight  0.10000E+01 volume  0.21726E-02 ppm1      1.541 ppm2      0.551 CV     1
 ASSI { 1399}
   (( segid " 1SG" and resid 31   and name HA  ))
   (( segid " 1SG" and resid 68   and name HD1 ))
      2.700     0.900     0.900 peak  1399 spectrum    1 weight  0.10000E+01 volume  0.21683E-02 ppm1      4.175 ppm2      1.683 CV     1
 OR { 1399}
   (( segid " 1SG" and resid 31   and name HA  ))
   (( segid " 1SG" and resid 68   and name HD2 ))
 ASSI { 1400}
   (( segid " 1SG" and resid 91   and name HA  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      2.600     0.900     0.900 peak  1400 spectrum    1 weight  0.10000E+01 volume  0.21660E-02 ppm1      4.748 ppm2      0.161 CV     1
 ASSI { 1402}
   (( segid " 1SG" and resid 68   and name HG1 ))
   (( segid " 1SG" and resid 68   and name HB2 ))
      2.700     0.900     0.900 peak  1402 spectrum    1 weight  0.10000E+01 volume  0.21618E-02 ppm1      1.273 ppm2      1.772 CV     1
 OR { 1402}
   (( segid " 1SG" and resid 68   and name HG2 ))
   (( segid " 1SG" and resid 68   and name HB2 ))
 ASSI { 1404}
   (( segid " 1SG" and resid 37   and name HA  ))
   (( segid " 1SG" and resid 37   and name HB2 ))
      2.900     1.000     1.000 peak  1404 spectrum    1 weight  0.10000E+01 volume  0.21582E-02 ppm1      4.505 ppm2      1.382 CV     1
 OR { 1404}
   (( segid " 1SG" and resid 37   and name HA  ))
   (( segid " 1SG" and resid 37   and name HG2 ))
 ASSI { 1406}
   (  segid " 1SG" and resid 53   and name HG1%)
   (( segid " 1SG" and resid 58   and name HA  ))
      2.800     1.000     1.000 peak  1406 spectrum    1 weight  0.10000E+01 volume  0.21530E-02 ppm1      1.121 ppm2      4.624 CV     1
 ASSI { 1408}
   (( segid " 1SG" and resid 28   and name HA  ))
   (  segid " 1SG" and resid 28   and name HG1%)
      2.600     0.900     0.900 peak  1408 spectrum    1 weight  0.10000E+01 volume  0.21480E-02 ppm1      4.915 ppm2      0.817 CV     1
 ASSI { 1420}
   (( segid " 1SG" and resid 75   and name HA  ))
   (( segid " 1SG" and resid 75   and name HB1 ))
      2.700     0.900     0.900 peak  1420 spectrum    1 weight  0.10000E+01 volume  0.21187E-02 ppm1      5.087 ppm2      2.897 CV     1
 OR { 1420}
   (( segid " 1SG" and resid 75   and name HA  ))
   (( segid " 1SG" and resid 75   and name HB2 ))
 ASSI { 1421}
   (( segid " 1SG" and resid 45   and name HD2 ))
   (  segid " 1SG" and resid 104  and name HD2%)
      2.900     2.900     3.100 peak  1421 spectrum    1 weight  0.10000E+01 volume  0.21171E-02 ppm1      1.234 ppm2      0.834 CV     1
 OR { 1421}
   (( segid " 1SG" and resid 45   and name HD1 ))
   (  segid " 1SG" and resid 104  and name HD2%)
 ASSI { 1426}
   (( segid " 1SG" and resid 2    and name HA  ))
   (( segid " 1SG" and resid 2    and name HB2 ))
      2.600     0.900     0.900 peak  1426 spectrum    1 weight  0.10000E+01 volume  0.21109E-02 ppm1      4.912 ppm2      2.661 CV     1
 ASSI { 1428}
   (( segid " 1SG" and resid 33   and name HG  ))
   (( segid " 1SG" and resid 37   and name HG2 ))
      3.400     1.400     1.400 peak  1428 spectrum    1 weight  0.10000E+01 volume  0.21099E-02 ppm1      0.929 ppm2      1.379 CV     1
 OR { 1428}
   (( segid " 1SG" and resid 33   and name HG  ))
   (( segid " 1SG" and resid 37   and name HB2 ))
 ASSI { 1433}
   (( segid " 1SG" and resid 105  and name HB  ))
   (( segid " 1SG" and resid 15   and name HA  ))
      2.600     0.900     0.900 peak  1433 spectrum    1 weight  0.10000E+01 volume  0.21054E-02 ppm1      3.901 ppm2      5.501 CV     1
 ASSI { 1435}
   (( segid " 1SG" and resid 12   and name HA  ))
   (( segid " 1SG" and resid 12   and name HG2 ))
      3.000     1.100     1.100 peak  1435 spectrum    1 weight  0.10000E+01 volume  0.21035E-02 ppm1      4.685 ppm2      2.479 CV     1
 OR { 1435}
   (( segid " 1SG" and resid 12   and name HA  ))
   (( segid " 1SG" and resid 12   and name HG1 ))
 ASSI { 1437}
   (( segid " 1SG" and resid 61   and name HA  ))
   (( segid " 1SG" and resid 61   and name HB2 ))
      2.800     1.000     1.000 peak  1437 spectrum    1 weight  0.10000E+01 volume  0.21021E-02 ppm1      5.569 ppm2      2.306 CV     1
 ASSI { 1443}
   (( segid " 1SG" and resid 22   and name HA  ))
   (( segid " 1SG" and resid 104  and name HB2 ))
      3.500     3.500     2.500 peak  1443 spectrum    1 weight  0.10000E+01 volume  0.20896E-02 ppm1      4.357 ppm2      1.253 CV     1
 ASSI { 1453}
   (( segid " 1SG" and resid 4    and name HA  ))
   (  segid " 1SG" and resid 4    and name HD1%)
      2.900     1.000     1.000 peak  1453 spectrum    1 weight  0.10000E+01 volume  0.20748E-02 ppm1      4.030 ppm2      0.969 CV     1
 ASSI { 1456}
   (( segid " 1SG" and resid 9    and name HA  ))
   (( segid " 1SG" and resid 27   and name HD1 ))
      3.100     1.200     1.200 peak  1456 spectrum    1 weight  0.10000E+01 volume  0.20671E-02 ppm1      4.631 ppm2      3.112 CV     1
 OR { 1456}
   (( segid " 1SG" and resid 9    and name HA  ))
   (( segid " 1SG" and resid 27   and name HD2 ))
 ASSI { 1457}
   (( segid " 1SG" and resid 57   and name HG  ))
   (  segid " 1SG" and resid 49   and name HD2%)
      2.600     0.800     0.800 peak  1457 spectrum    1 weight  0.10000E+01 volume  0.20670E-02 ppm1      0.752 ppm2      1.025 CV     1
 ASSI { 1461}
   (( segid " 1SG" and resid 12   and name HB2 ))
   (( segid " 1SG" and resid 12   and name HA  ))
      3.000     1.100     1.100 peak  1461 spectrum    1 weight  0.10000E+01 volume  0.20554E-02 ppm1      1.970 ppm2      4.684 CV     1
 ASSI { 1470}
   (  segid " 1SG" and resid 106  and name HG1%)
   (( segid " 1SG" and resid 104  and name HG  ))
      2.900     1.000     1.000 peak  1470 spectrum    1 weight  0.10000E+01 volume  0.20452E-02 ppm1      0.689 ppm2      1.337 CV     1
 ASSI { 1471}
   (  segid " 1SG" and resid 76   and name HG2%)
   (( segid " 1SG" and resid 76   and name HG12))
      2.600     0.800     0.800 peak  1471 spectrum    1 weight  0.10000E+01 volume  0.20441E-02 ppm1      0.820 ppm2      1.098 CV     1
 ASSI { 1479}
   (( segid " 1SG" and resid 53   and name HA  ))
   (  segid " 1SG" and resid 57   and name HD1%)
      2.600     0.800     0.800 peak  1479 spectrum    1 weight  0.10000E+01 volume  0.20292E-02 ppm1      4.059 ppm2      0.613 CV     1
 OR { 1479}
   (( segid " 1SG" and resid 53   and name HA  ))
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI { 1481}
   (( segid " 1SG" and resid 40   and name HA  ))
   (( segid " 1SG" and resid 40   and name HB2 ))
      2.700     0.900     0.900 peak  1481 spectrum    1 weight  0.10000E+01 volume  0.20285E-02 ppm1      4.549 ppm2      1.359 CV     1
 ASSI { 1486}
   (( segid " 1SG" and resid 14   and name HA1 ))
   (  segid " 1SG" and resid 22   and name HD1%)
      2.600     0.800     0.800 peak  1486 spectrum    1 weight  0.10000E+01 volume  0.20223E-02 ppm1      3.757 ppm2      0.548 CV     1
 ASSI { 1488}
   (( segid " 1SG" and resid 45   and name HG2 ))
   (  segid " 1SG" and resid 47   and name HG1%)
      3.000     3.000     3.000 peak  1488 spectrum    1 weight  0.10000E+01 volume  0.20107E-02 ppm1      0.602 ppm2      0.994 CV     1
 ASSI { 1490}
   (  segid " 1SG" and resid 77   and name HG2%)
   (( segid " 1SG" and resid 22   and name HB  ))
      3.100     3.100     2.900 peak  1490 spectrum    1 weight  0.10000E+01 volume  0.20074E-02 ppm1      1.074 ppm2      1.515 CV     1
 ASSI { 1493}
   (( segid " 1SG" and resid 21   and name HA  ))
   (( segid " 1SG" and resid 21   and name HB2 ))
      2.700     0.900     0.900 peak  1493 spectrum    1 weight  0.10000E+01 volume  0.20038E-02 ppm1      5.515 ppm2      3.764 CV     1
 ASSI { 1494}
   (( segid " 1SG" and resid 74   and name HB2 ))
   (  segid " 1SG" and resid 74   and name HD2%)
      2.900     1.100     1.100 peak  1494 spectrum    1 weight  0.10000E+01 volume  0.20034E-02 ppm1     -0.825 ppm2      0.419 CV     1
 OR { 1494}
   (( segid " 1SG" and resid 74   and name HB2 ))
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI { 1497}
   (( segid " 1SG" and resid 71   and name HB2 ))
   (  segid " 1SG" and resid 71   and name HD2%)
      2.700     0.900     0.900 peak  1497 spectrum    1 weight  0.10000E+01 volume  0.19999E-02 ppm1      1.272 ppm2      0.752 CV     1
 ASSI { 1504}
   (( segid " 1SG" and resid 105  and name HB  ))
   (( segid " 1SG" and resid 15   and name HG2 ))
      2.800     1.000     1.000 peak  1504 spectrum    1 weight  0.10000E+01 volume  0.19903E-02 ppm1      3.909 ppm2      2.266 CV     1
 OR { 1504}
   (( segid " 1SG" and resid 105  and name HB  ))
   (( segid " 1SG" and resid 15   and name HG1 ))
 ASSI { 1508}
   (( segid " 1SG" and resid 76   and name HB  ))
   (  segid " 1SG" and resid 76   and name HD1%)
      2.600     0.800     0.800 peak  1508 spectrum    1 weight  0.10000E+01 volume  0.19795E-02 ppm1      1.941 ppm2      0.670 CV     1
 ASSI { 1516}
   (( segid " 1SG" and resid 36   and name HB2 ))
   (( segid " 1SG" and resid 36   and name HG2 ))
      2.600     0.800     0.800 peak  1516 spectrum    1 weight  0.10000E+01 volume  0.19682E-02 ppm1      1.634 ppm2      1.985 CV     1
 ASSI { 1518}
   (( segid " 1SG" and resid 34   and name HA  ))
   (( segid " 1SG" and resid 94   and name HA  ))
      3.200     3.200     2.800 peak  1518 spectrum    1 weight  0.10000E+01 volume  0.19668E-02 ppm1      4.293 ppm2      4.063 CV     1
 ASSI { 1523}
   (( segid " 1SG" and resid 59   and name HG  ))
   (  segid " 1SG" and resid 57   and name HD2%)
      3.400     1.400     1.400 peak  1523 spectrum    1 weight  0.10000E+01 volume  0.19564E-02 ppm1      1.446 ppm2      0.612 CV     1
 OR { 1523}
   (( segid " 1SG" and resid 59   and name HG  ))
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI { 1527}
   (  segid " 1SG" and resid 6    and name HD1%)
   (  segid " 1SG" and resid 28   and name HG1%)
      2.800     1.000     1.000 peak  1527 spectrum    1 weight  0.10000E+01 volume  0.19483E-02 ppm1      0.670 ppm2      0.820 CV     1
 ASSI { 1529}
   (( segid " 1SG" and resid 25   and name HA  ))
   (( segid " 1SG" and resid 73   and name HA  ))
      2.500     0.800     0.800 peak  1529 spectrum    1 weight  0.10000E+01 volume  0.19469E-02 ppm1      5.692 ppm2      5.470 CV     1
 ASSI { 1539}
   (( segid " 1SG" and resid 106  and name HA  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      2.700     0.900     0.900 peak  1539 spectrum    1 weight  0.10000E+01 volume  0.19335E-02 ppm1      4.721 ppm2      0.624 CV     1
 ASSI { 1545}
   (( segid " 1SG" and resid 14   and name HA2 ))
   (  segid " 1SG" and resid 22   and name HD1%)
      3.200     1.200     1.200 peak  1545 spectrum    1 weight  0.10000E+01 volume  0.19134E-02 ppm1      4.934 ppm2      0.546 CV     1
 ASSI { 1547}
   (  segid " 1SG" and resid 18   and name HG2%)
   (( segid " 1SG" and resid 81   and name HD2 ))
      3.300     1.400     1.400 peak  1547 spectrum    1 weight  0.10000E+01 volume  0.19100E-02 ppm1      0.966 ppm2      3.590 CV     1
 ASSI { 1554}
   (  segid " 1SG" and resid 71   and name HD2%)
   (  segid " 1SG" and resid 74   and name HD2%)
      3.200     3.200     2.800 peak  1554 spectrum    1 weight  0.10000E+01 volume  0.18994E-02 ppm1      0.716 ppm2      0.408 CV     1
 OR { 1554}
   (  segid " 1SG" and resid 71   and name HD2%)
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI { 1580}
   (( segid " 1SG" and resid 61   and name HB2 ))
   (( segid " 1SG" and resid 63   and name HB2 ))
      2.700     2.700     3.300 peak  1580 spectrum    1 weight  0.10000E+01 volume  0.18599E-02 ppm1      2.281 ppm2      2.543 CV     1
 ASSI { 1587}
   (  segid " 1SG" and resid 39   and name HG1%)
   (( segid " 1SG" and resid 39   and name HA  ))
      2.700     0.900     0.900 peak  1587 spectrum    1 weight  0.10000E+01 volume  0.18560E-02 ppm1     -0.057 ppm2      4.810 CV     1
 ASSI { 1598}
   (( segid " 1SG" and resid 53   and name HA  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      3.400     1.400     1.400 peak  1598 spectrum    1 weight  0.10000E+01 volume  0.18406E-02 ppm1      4.052 ppm2      1.467 CV     1
 ASSI { 1605}
   (( segid " 1SG" and resid 88   and name HB2 ))
   (( segid " 1SG" and resid 40   and name HD2 ))
      2.900     2.900     3.100 peak  1605 spectrum    1 weight  0.10000E+01 volume  0.18345E-02 ppm1      1.705 ppm2      1.711 CV     1
 OR { 1605}
   (( segid " 1SG" and resid 88   and name HB2 ))
   (( segid " 1SG" and resid 40   and name HD1 ))
 ASSI { 1616}
   (( segid " 1SG" and resid 108  and name HG2 ))
   (( segid " 1SG" and resid 108  and name HA  ))
      2.800     1.000     1.000 peak  1616 spectrum    1 weight  0.10000E+01 volume  0.18161E-02 ppm1      2.201 ppm2      4.149 CV     1
 OR { 1616}
   (( segid " 1SG" and resid 108  and name HG1 ))
   (( segid " 1SG" and resid 108  and name HA  ))
 ASSI { 1617}
   (( segid " 1SG" and resid 74   and name HB2 ))
   (  segid " 1SG" and resid 57   and name HD2%)
      3.600     1.600     1.600 peak  1617 spectrum    1 weight  0.10000E+01 volume  0.18157E-02 ppm1     -0.817 ppm2      0.626 CV     1
 OR { 1617}
   (( segid " 1SG" and resid 74   and name HB2 ))
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI { 1622}
   (( segid " 1SG" and resid 45   and name HG2 ))
   (( segid " 1SG" and resid 45   and name HA  ))
      2.800     1.000     1.000 peak  1622 spectrum    1 weight  0.10000E+01 volume  0.18125E-02 ppm1      0.599 ppm2      3.499 CV     1
 ASSI { 1624}
   (( segid " 1SG" and resid 68   and name HA  ))
   (( segid " 1SG" and resid 68   and name HB2 ))
      2.700     0.900     0.900 peak  1624 spectrum    1 weight  0.10000E+01 volume  0.18105E-02 ppm1      3.604 ppm2      1.772 CV     1
 ASSI { 1631}
   (( segid " 1SG" and resid 16   and name HB  ))
   (  segid " 1SG" and resid 22   and name HD1%)
      3.500     1.500     1.500 peak  1631 spectrum    1 weight  0.10000E+01 volume  0.17956E-02 ppm1      1.820 ppm2      0.552 CV     1
 ASSI { 1634}
   (  segid " 1SG" and resid 59   and name HD1%)
   (( segid " 1SG" and resid 43   and name HB2 ))
      3.500     1.600     1.600 peak  1634 spectrum    1 weight  0.10000E+01 volume  0.17868E-02 ppm1      0.832 ppm2      1.231 CV     1
 ASSI { 1636}
   (( segid " 1SG" and resid 8    and name HB  ))
   (( segid " 1SG" and resid 27   and name HB1 ))
      2.600     0.900     0.900 peak  1636 spectrum    1 weight  0.10000E+01 volume  0.17827E-02 ppm1      1.813 ppm2      1.600 CV     1
 OR { 1636}
   (( segid " 1SG" and resid 8    and name HB  ))
   (( segid " 1SG" and resid 27   and name HB2 ))
 ASSI { 1638}
   (( segid " 1SG" and resid 108  and name HA  ))
   (  segid " 1SG" and resid 18   and name HG1%)
      3.400     1.400     1.400 peak  1638 spectrum    1 weight  0.10000E+01 volume  0.17769E-02 ppm1      4.155 ppm2      1.005 CV     1
 ASSI { 1643}
   (( segid " 1SG" and resid 45   and name HB2 ))
   (( segid " 1SG" and resid 45   and name HA  ))
      2.900     1.000     1.000 peak  1643 spectrum    1 weight  0.10000E+01 volume  0.17723E-02 ppm1      0.604 ppm2      3.498 CV     1
 ASSI { 1653}
   (( segid " 1SG" and resid 4    and name HB  ))
   (( segid " 1SG" and resid 96   and name HB2 ))
      2.700     0.900     0.900 peak  1653 spectrum    1 weight  0.10000E+01 volume  0.17548E-02 ppm1      2.052 ppm2      1.589 CV     1
 ASSI { 1657}
   (( segid " 1SG" and resid 52   and name HD2 ))
   (( segid " 1SG" and resid 48   and name HB2 ))
      2.600     2.600     3.400 peak  1657 spectrum    1 weight  0.10000E+01 volume  0.17458E-02 ppm1      1.575 ppm2      2.922 CV     1
 OR { 1657}
   (( segid " 1SG" and resid 52   and name HD1 ))
   (( segid " 1SG" and resid 48   and name HB2 ))
 ASSI { 1660}
   (( segid " 1SG" and resid 76   and name HG12))
   (  segid " 1SG" and resid 57   and name HD2%)
      2.500     0.800     0.800 peak  1660 spectrum    1 weight  0.10000E+01 volume  0.17439E-02 ppm1      1.094 ppm2      0.621 CV     1
 OR { 1660}
   (( segid " 1SG" and resid 76   and name HG12))
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI { 1671}
   (( segid " 1SG" and resid 60   and name HB2 ))
   (( segid " 1SG" and resid 60   and name HA  ))
      3.000     1.100     1.100 peak  1671 spectrum    1 weight  0.10000E+01 volume  0.17295E-02 ppm1      2.975 ppm2      5.071 CV     1
 ASSI { 1672}
   (( segid " 1SG" and resid 43   and name HD2 ))
   (  segid " 1SG" and resid 49   and name HD1%)
      3.300     1.300     1.300 peak  1672 spectrum    1 weight  0.10000E+01 volume  0.17286E-02 ppm1      1.322 ppm2      1.761 CV     1
 OR { 1672}
   (( segid " 1SG" and resid 43   and name HD1 ))
   (  segid " 1SG" and resid 49   and name HD1%)
 ASSI { 1674}
   (( segid " 1SG" and resid 52   and name HB2 ))
   (( segid " 1SG" and resid 52   and name HG2 ))
      2.600     0.800     0.800 peak  1674 spectrum    1 weight  0.10000E+01 volume  0.17266E-02 ppm1      1.737 ppm2      1.330 CV     1
 OR { 1674}
   (( segid " 1SG" and resid 52   and name HB2 ))
   (( segid " 1SG" and resid 52   and name HG1 ))
 ASSI { 1676}
   (( segid " 1SG" and resid 36   and name HA  ))
   (( segid " 1SG" and resid 37   and name HD2 ))
      2.600     0.900     0.900 peak  1676 spectrum    1 weight  0.10000E+01 volume  0.17241E-02 ppm1      4.005 ppm2      2.360 CV     1
 ASSI { 1689}
   (( segid " 1SG" and resid 16   and name HA  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      3.200     1.300     1.300 peak  1689 spectrum    1 weight  0.10000E+01 volume  0.17079E-02 ppm1      4.604 ppm2      0.629 CV     1
 ASSI { 1694}
   (( segid " 1SG" and resid 57   and name HB2 ))
   (  segid " 1SG" and resid 57   and name HD1%)
      2.900     1.000     1.000 peak  1694 spectrum    1 weight  0.10000E+01 volume  0.16985E-02 ppm1      1.477 ppm2      0.615 CV     1
 OR { 1694}
   (( segid " 1SG" and resid 57   and name HB2 ))
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI { 1697}
   (( segid " 1SG" and resid 36   and name HD2 ))
   (( segid " 1SG" and resid 36   and name HB2 ))
      2.900     1.000     1.000 peak  1697 spectrum    1 weight  0.10000E+01 volume  0.16966E-02 ppm1      3.508 ppm2      1.639 CV     1
 ASSI { 1700}
   (( segid " 1SG" and resid 35   and name HG1 ))
   (( segid " 1SG" and resid 35   and name HA  ))
      3.200     1.300     1.300 peak  1700 spectrum    1 weight  0.10000E+01 volume  0.16928E-02 ppm1      1.361 ppm2      4.667 CV     1
 OR { 1700}
   (( segid " 1SG" and resid 35   and name HG2 ))
   (( segid " 1SG" and resid 35   and name HA  ))
 ASSI { 1703}
   (( segid " 1SG" and resid 25   and name HB2 ))
   (( segid " 1SG" and resid 25   and name HA  ))
      3.000     1.100     1.100 peak  1703 spectrum    1 weight  0.10000E+01 volume  0.16921E-02 ppm1      3.602 ppm2      5.692 CV     1
 ASSI { 1707}
   (( segid " 1SG" and resid 105  and name HA  ))
   (( segid " 1SG" and resid 84   and name HA  ))
      2.800     1.000     1.000 peak  1707 spectrum    1 weight  0.10000E+01 volume  0.16891E-02 ppm1      4.518 ppm2      4.230 CV     1
 ASSI { 1720}
   (( segid " 1SG" and resid 36   and name HA  ))
   (( segid " 1SG" and resid 36   and name HB2 ))
      3.100     1.200     1.200 peak  1720 spectrum    1 weight  0.10000E+01 volume  0.16761E-02 ppm1      4.007 ppm2      1.642 CV     1
 ASSI { 1726}
   (( segid " 1SG" and resid 88   and name HA  ))
   (( segid " 1SG" and resid 100  and name HB2 ))
      3.200     3.200     2.800 peak  1726 spectrum    1 weight  0.10000E+01 volume  0.16681E-02 ppm1      5.349 ppm2      2.953 CV     1
 ASSI { 1727}
   (  segid " 1SG" and resid 104  and name HD1%)
   (  segid " 1SG" and resid 24   and name HE% )
      2.300     2.300     3.700 peak  1727 spectrum    1 weight  0.10000E+01 volume  0.16661E-02 ppm1      0.987 ppm2      7.171 CV     1
 ASSI { 1730}
   (  segid " 1SG" and resid 49   and name HD2%)
   (( segid " 1SG" and resid 59   and name HB1 ))
      2.500     0.800     0.800 peak  1730 spectrum    1 weight  0.10000E+01 volume  0.16654E-02 ppm1      1.042 ppm2      1.718 CV     1
 OR { 1730}
   (  segid " 1SG" and resid 49   and name HD2%)
   (( segid " 1SG" and resid 59   and name HB2 ))
 ASSI { 1748}
   (( segid " 1SG" and resid 23   and name HB  ))
   (( segid " 1SG" and resid 23   and name HA  ))
      2.900     1.000     1.000 peak  1748 spectrum    1 weight  0.10000E+01 volume  0.16402E-02 ppm1      3.583 ppm2      5.116 CV     1
 ASSI { 1752}
   (  segid " 1SG" and resid 74   and name HD1%)
   (  segid " 1SG" and resid 59   and name HD1%)
      2.300     0.700     0.700 peak  1752 spectrum    1 weight  0.10000E+01 volume  0.16311E-02 ppm1      0.412 ppm2      0.852 CV     1
 OR { 1752}
   (  segid " 1SG" and resid 74   and name HD2%)
   (  segid " 1SG" and resid 59   and name HD1%)
 ASSI { 1760}
   (( segid " 1SG" and resid 49   and name HB2 ))
   (( segid " 1SG" and resid 52   and name HB2 ))
      3.500     1.600     1.600 peak  1760 spectrum    1 weight  0.10000E+01 volume  0.16190E-02 ppm1      1.571 ppm2      1.728 CV     1
 ASSI { 1764}
   (  segid " 1SG" and resid 76   and name HG2%)
   (( segid " 1SG" and resid 79   and name HA  ))
      2.800     1.000     1.000 peak  1764 spectrum    1 weight  0.10000E+01 volume  0.16137E-02 ppm1      0.825 ppm2      3.685 CV     1
 ASSI { 1771}
   (( segid " 1SG" and resid 36   and name HD2 ))
   (( segid " 1SG" and resid 36   and name HG2 ))
      2.600     0.900     0.900 peak  1771 spectrum    1 weight  0.10000E+01 volume  0.16086E-02 ppm1      3.510 ppm2      1.963 CV     1
 ASSI { 1789}
   (( segid " 1SG" and resid 9    and name HB2 ))
   (( segid " 1SG" and resid 9    and name HA  ))
      2.800     1.000     1.000 peak  1789 spectrum    1 weight  0.10000E+01 volume  0.15971E-02 ppm1      1.915 ppm2      4.655 CV     1
 ASSI { 1791}
   (( segid " 1SG" and resid 8    and name HB  ))
   (( segid " 1SG" and resid 8    and name HA  ))
      2.900     1.000     1.000 peak  1791 spectrum    1 weight  0.10000E+01 volume  0.15948E-02 ppm1      1.840 ppm2      4.168 CV     1
 ASSI { 1800}
   (  segid " 1SG" and resid 18   and name HG2%)
   (( segid " 1SG" and resid 80   and name HE21))
      3.600     1.700     1.700 peak  1800 spectrum    1 weight  0.10000E+01 volume  0.15851E-02 ppm1      0.979 ppm2      6.971 CV     1
 ASSI { 1802}
   (( segid " 1SG" and resid 72   and name HB2 ))
   (( segid " 1SG" and resid 72   and name HA  ))
      2.800     1.000     1.000 peak  1802 spectrum    1 weight  0.10000E+01 volume  0.15813E-02 ppm1      2.934 ppm2      5.351 CV     1
 ASSI { 1807}
   (( segid " 1SG" and resid 92   and name HB2 ))
   (  segid " 1SG" and resid 93   and name HG2%)
      3.300     3.300     2.700 peak  1807 spectrum    1 weight  0.10000E+01 volume  0.15763E-02 ppm1      3.877 ppm2      1.043 CV     1
 OR { 1807}
   (( segid " 1SG" and resid 92   and name HB1 ))
   (  segid " 1SG" and resid 93   and name HG2%)
 ASSI { 1808}
   (( segid " 1SG" and resid 6    and name HG  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      2.700     0.900     0.900 peak  1808 spectrum    1 weight  0.10000E+01 volume  0.15747E-02 ppm1      1.340 ppm2      0.494 CV     1
 ASSI { 1809}
   (( segid " 1SG" and resid 24   and name HA  ))
   (( segid " 1SG" and resid 24   and name HB2 ))
      3.100     1.200     1.200 peak  1809 spectrum    1 weight  0.10000E+01 volume  0.15746E-02 ppm1      4.619 ppm2      2.415 CV     1
 ASSI { 1811}
   (  segid " 1SG" and resid 59   and name HD1%)
   (( segid " 1SG" and resid 50   and name HA  ))
      2.900     1.100     1.100 peak  1811 spectrum    1 weight  0.10000E+01 volume  0.15702E-02 ppm1      0.869 ppm2      3.945 CV     1
 ASSI { 1812}
   (( segid " 1SG" and resid 103  and name HB2 ))
   (( segid " 1SG" and resid 103  and name HA  ))
      3.100     1.200     1.200 peak  1812 spectrum    1 weight  0.10000E+01 volume  0.15702E-02 ppm1      2.506 ppm2      5.551 CV     1
 ASSI { 1815}
   (( segid " 1SG" and resid 105  and name HA  ))
   (( segid " 1SG" and resid 105  and name HB  ))
      2.900     1.000     1.000 peak  1815 spectrum    1 weight  0.10000E+01 volume  0.15684E-02 ppm1      4.515 ppm2      3.913 CV     1
 ASSI { 1823}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 104  and name HB2 ))
      3.300     1.400     1.400 peak  1823 spectrum    1 weight  0.10000E+01 volume  0.15620E-02 ppm1      0.619 ppm2      1.254 CV     1
 ASSI { 1826}
   (  segid " 1SG" and resid 91   and name HG2%)
   (  segid " 1SG" and resid 93   and name HG2%)
      3.200     1.300     1.300 peak  1826 spectrum    1 weight  0.10000E+01 volume  0.15576E-02 ppm1      0.186 ppm2      1.045 CV     1
 OR { 1826}
   (  segid " 1SG" and resid 91   and name HG1%)
   (  segid " 1SG" and resid 93   and name HG2%)
 ASSI { 1831}
   (  segid " 1SG" and resid 49   and name HD2%)
   (( segid " 1SG" and resid 49   and name HB2 ))
      3.000     1.200     1.200 peak  1831 spectrum    1 weight  0.10000E+01 volume  0.15522E-02 ppm1      1.030 ppm2      1.580 CV     1
 ASSI { 1841}
   (( segid " 1SG" and resid 52   and name HB2 ))
   (( segid " 1SG" and resid 52   and name HA  ))
      3.200     1.200     1.200 peak  1841 spectrum    1 weight  0.10000E+01 volume  0.15403E-02 ppm1      1.738 ppm2      4.629 CV     1
 ASSI { 1843}
   (( segid " 1SG" and resid 58   and name HA  ))
   (( segid " 1SG" and resid 58   and name HG2 ))
      3.300     1.400     1.400 peak  1843 spectrum    1 weight  0.10000E+01 volume  0.15394E-02 ppm1      4.621 ppm2      1.817 CV     1
 ASSI { 1852}
   (( segid " 1SG" and resid 69   and name HA  ))
   (( segid " 1SG" and resid 29   and name HA  ))
      2.800     1.000     1.000 peak  1852 spectrum    1 weight  0.10000E+01 volume  0.15234E-02 ppm1      4.592 ppm2      4.392 CV     1
 ASSI { 1853}
   (( segid " 1SG" and resid 57   and name HG  ))
   (( segid " 1SG" and resid 49   and name HB2 ))
      3.400     1.400     1.400 peak  1853 spectrum    1 weight  0.10000E+01 volume  0.15228E-02 ppm1      0.753 ppm2      1.558 CV     1
 ASSI { 1858}
   (( segid " 1SG" and resid 96   and name HB2 ))
   (( segid " 1SG" and resid 4    and name HG12))
      2.700     0.900     0.900 peak  1858 spectrum    1 weight  0.10000E+01 volume  0.15164E-02 ppm1      1.612 ppm2      1.245 CV     1
 ASSI { 1870}
   (( segid " 1SG" and resid 15   and name HA  ))
   (( segid " 1SG" and resid 15   and name HG2 ))
      2.900     1.100     1.100 peak  1870 spectrum    1 weight  0.10000E+01 volume  0.15023E-02 ppm1      5.504 ppm2      2.280 CV     1
 OR { 1870}
   (( segid " 1SG" and resid 15   and name HA  ))
   (( segid " 1SG" and resid 15   and name HG1 ))
 ASSI { 1875}
   (( segid " 1SG" and resid 22   and name HB  ))
   (( segid " 1SG" and resid 104  and name HB2 ))
      3.300     1.400     1.400 peak  1875 spectrum    1 weight  0.10000E+01 volume  0.14996E-02 ppm1      1.541 ppm2      1.250 CV     1
 ASSI { 1880}
   (( segid " 1SG" and resid 56   and name HA  ))
   (( segid " 1SG" and resid 56   and name HB2 ))
      2.900     1.100     1.100 peak  1880 spectrum    1 weight  0.10000E+01 volume  0.14955E-02 ppm1      4.971 ppm2      3.108 CV     1
 ASSI { 1884}
   (( segid " 1SG" and resid 52   and name HG2 ))
   (( segid " 1SG" and resid 53   and name HB  ))
      3.500     3.500     2.500 peak  1884 spectrum    1 weight  0.10000E+01 volume  0.14939E-02 ppm1      1.340 ppm2      2.157 CV     1
 OR { 1884}
   (( segid " 1SG" and resid 52   and name HG1 ))
   (( segid " 1SG" and resid 53   and name HB  ))
 ASSI { 1886}
   (( segid " 1SG" and resid 18   and name HA  ))
   (  segid " 1SG" and resid 79   and name HB% )
      3.000     1.100     1.100 peak  1886 spectrum    1 weight  0.10000E+01 volume  0.14932E-02 ppm1      3.516 ppm2      1.196 CV     1
 ASSI { 1887}
   (( segid " 1SG" and resid 4    and name HB  ))
   (( segid " 1SG" and resid 4    and name HA  ))
      2.800     1.000     1.000 peak  1887 spectrum    1 weight  0.10000E+01 volume  0.14931E-02 ppm1      2.054 ppm2      4.033 CV     1
 ASSI { 1888}
   (( segid " 1SG" and resid 37   and name HB2 ))
   (( segid " 1SG" and resid 37   and name HA  ))
      3.000     1.100     1.100 peak  1888 spectrum    1 weight  0.10000E+01 volume  0.14924E-02 ppm1      1.383 ppm2      4.501 CV     1
 ASSI { 1889}
   (( segid " 1SG" and resid 91   and name HA  ))
   (( segid " 1SG" and resid 91   and name HB  ))
      2.600     0.900     0.900 peak  1889 spectrum    1 weight  0.10000E+01 volume  0.14920E-02 ppm1      4.743 ppm2      1.134 CV     1
 ASSI { 1895}
   (( segid " 1SG" and resid 6    and name HG  ))
   (  segid " 1SG" and resid 6    and name HD1%)
      2.700     0.900     0.900 peak  1895 spectrum    1 weight  0.10000E+01 volume  0.14872E-02 ppm1      1.341 ppm2      0.677 CV     1
 ASSI { 1898}
   (( segid " 1SG" and resid 49   and name HA  ))
   (( segid " 1SG" and resid 52   and name HB2 ))
      2.800     1.000     1.000 peak  1898 spectrum    1 weight  0.10000E+01 volume  0.14866E-02 ppm1      3.862 ppm2      1.730 CV     1
 ASSI { 1902}
   (( segid " 1SG" and resid 27   and name HA  ))
   (( segid " 1SG" and resid 71   and name HA  ))
      2.500     0.800     0.800 peak  1902 spectrum    1 weight  0.10000E+01 volume  0.14815E-02 ppm1      5.835 ppm2      5.076 CV     1
 ASSI { 1905}
   (  segid " 1SG" and resid 104  and name HD1%)
   (( segid " 1SG" and resid 14   and name HA1 ))
      2.900     1.000     1.000 peak  1905 spectrum    1 weight  0.10000E+01 volume  0.14766E-02 ppm1      0.975 ppm2      3.753 CV     1
 ASSI { 1907}
   (( segid " 1SG" and resid 4    and name HB  ))
   (( segid " 1SG" and resid 4    and name HG12))
      2.600     0.800     0.800 peak  1907 spectrum    1 weight  0.10000E+01 volume  0.14709E-02 ppm1      2.046 ppm2      1.247 CV     1
 ASSI { 1908}
   (( segid " 1SG" and resid 45   and name HG2 ))
   (( segid " 1SG" and resid 45   and name HD1 ))
      2.900     1.100     1.100 peak  1908 spectrum    1 weight  0.10000E+01 volume  0.14705E-02 ppm1      0.596 ppm2      1.238 CV     1
 OR { 1908}
   (( segid " 1SG" and resid 45   and name HG2 ))
   (( segid " 1SG" and resid 45   and name HD2 ))
 ASSI { 1924}
   (( segid " 1SG" and resid 43   and name HB2 ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      3.200     3.200     2.800 peak  1924 spectrum    1 weight  0.10000E+01 volume  0.14477E-02 ppm1      1.237 ppm2      1.469 CV     1
 ASSI { 1936}
   (  segid " 1SG" and resid 39   and name HG2%)
   (  segid " 1SG" and resid 28   and name HG2%)
      2.800     1.000     1.000 peak  1936 spectrum    1 weight  0.10000E+01 volume  0.14414E-02 ppm1     -0.444 ppm2      0.644 CV     1
 ASSI { 1941}
   (  segid " 1SG" and resid 26   and name HB% )
   (  segid " 1SG" and resid 28   and name HG2%)
      2.900     1.100     1.100 peak  1941 spectrum    1 weight  0.10000E+01 volume  0.14346E-02 ppm1      1.468 ppm2      0.658 CV     1
 ASSI { 1950}
   (( segid " 1SG" and resid 24   and name HA  ))
   (( segid " 1SG" and resid 12   and name HG2 ))
      2.400     2.400     3.600 peak  1950 spectrum    1 weight  0.10000E+01 volume  0.14283E-02 ppm1      4.620 ppm2      2.453 CV     1
 OR { 1950}
   (( segid " 1SG" and resid 24   and name HA  ))
   (( segid " 1SG" and resid 12   and name HG1 ))
 ASSI { 1953}
   (  segid " 1SG" and resid 8    and name HG1%)
   (( segid " 1SG" and resid 27   and name HD2 ))
      3.100     1.200     1.200 peak  1953 spectrum    1 weight  0.10000E+01 volume  0.14266E-02 ppm1      0.980 ppm2      3.114 CV     1
 OR { 1953}
   (  segid " 1SG" and resid 8    and name HG1%)
   (( segid " 1SG" and resid 27   and name HD1 ))
 OR { 1953}
   (  segid " 1SG" and resid 8    and name HG2%)
   (( segid " 1SG" and resid 27   and name HD2 ))
 OR { 1953}
   (  segid " 1SG" and resid 8    and name HG2%)
   (( segid " 1SG" and resid 27   and name HD1 ))
 ASSI { 1956}
   (( segid " 1SG" and resid 83   and name HA  ))
   (( segid " 1SG" and resid 83   and name HB2 ))
      3.000     1.100     1.100 peak  1956 spectrum    1 weight  0.10000E+01 volume  0.14250E-02 ppm1      4.609 ppm2      3.190 CV     1
 ASSI { 1958}
   (( segid " 1SG" and resid 40   and name HA  ))
   (( segid " 1SG" and resid 40   and name HG1 ))
      3.400     1.400     1.400 peak  1958 spectrum    1 weight  0.10000E+01 volume  0.14207E-02 ppm1      4.545 ppm2      1.245 CV     1
 OR { 1958}
   (( segid " 1SG" and resid 40   and name HA  ))
   (( segid " 1SG" and resid 40   and name HG2 ))
 ASSI { 1965}
   (( segid " 1SG" and resid 83   and name HA  ))
   (( segid " 1SG" and resid 44   and name HA2 ))
      3.300     1.300     1.300 peak  1965 spectrum    1 weight  0.10000E+01 volume  0.14168E-02 ppm1      4.568 ppm2      3.808 CV     1
 ASSI { 1969}
   (( segid " 1SG" and resid 12   and name HB2 ))
   (  segid " 1SG" and resid 22   and name HD1%)
      2.900     2.900     3.100 peak  1969 spectrum    1 weight  0.10000E+01 volume  0.14121E-02 ppm1      1.944 ppm2      0.544 CV     1
 ASSI { 1970}
   (  segid " 1SG" and resid 91   and name HG2%)
   (( segid " 1SG" and resid 38   and name HA  ))
      3.300     1.400     1.400 peak  1970 spectrum    1 weight  0.10000E+01 volume  0.14103E-02 ppm1      0.115 ppm2      3.907 CV     1
 ASSI { 1977}
   (  segid " 1SG" and resid 38   and name HG2%)
   (( segid " 1SG" and resid 35   and name HD1 ))
      2.900     1.100     1.100 peak  1977 spectrum    1 weight  0.10000E+01 volume  0.14053E-02 ppm1      0.817 ppm2      1.643 CV     1
 OR { 1977}
   (  segid " 1SG" and resid 38   and name HG2%)
   (( segid " 1SG" and resid 35   and name HD2 ))
 OR { 1977}
   (  segid " 1SG" and resid 38   and name HG1%)
   (( segid " 1SG" and resid 35   and name HD1 ))
 ASSI { 1987}
   (( segid " 1SG" and resid 36   and name HD2 ))
   (( segid " 1SG" and resid 35   and name HB2 ))
      3.000     1.100     1.100 peak  1987 spectrum    1 weight  0.10000E+01 volume  0.13925E-02 ppm1      3.509 ppm2      1.780 CV     1
 OR { 1987}
   (( segid " 1SG" and resid 36   and name HD2 ))
   (( segid " 1SG" and resid 35   and name HB1 ))
 ASSI { 1991}
   (  segid " 1SG" and resid 18   and name HG1%)
   (( segid " 1SG" and resid 81   and name HD2 ))
      3.700     1.800     1.800 peak  1991 spectrum    1 weight  0.10000E+01 volume  0.13882E-02 ppm1      1.013 ppm2      3.582 CV     1
 ASSI { 1993}
   (( segid " 1SG" and resid 71   and name HA  ))
   (( segid " 1SG" and resid 71   and name HB2 ))
      2.600     0.800     0.800 peak  1993 spectrum    1 weight  0.10000E+01 volume  0.13863E-02 ppm1      5.070 ppm2      1.269 CV     1
 ASSI { 1994}
   (( segid " 1SG" and resid 103  and name HA  ))
   (( segid " 1SG" and resid 86   and name HA2 ))
      2.700     0.900     0.900 peak  1994 spectrum    1 weight  0.10000E+01 volume  0.13858E-02 ppm1      5.554 ppm2      4.675 CV     1
 ASSI { 1996}
   (( segid " 1SG" and resid 81   and name HD2 ))
   (( segid " 1SG" and resid 80   and name HG2 ))
      2.700     0.900     0.900 peak  1996 spectrum    1 weight  0.10000E+01 volume  0.13846E-02 ppm1      3.576 ppm2      2.181 CV     1
 OR { 1996}
   (( segid " 1SG" and resid 81   and name HD2 ))
   (( segid " 1SG" and resid 80   and name HG1 ))
 ASSI { 2006}
   (( segid " 1SG" and resid 22   and name HA  ))
   (  segid " 1SG" and resid 22   and name HD1%)
      2.900     1.000     1.000 peak  2006 spectrum    1 weight  0.10000E+01 volume  0.13735E-02 ppm1      4.352 ppm2      0.547 CV     1
 ASSI { 2016}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 22   and name HA  ))
      3.200     1.300     1.300 peak  2016 spectrum    1 weight  0.10000E+01 volume  0.13671E-02 ppm1      0.604 ppm2      4.356 CV     1
 ASSI { 2017}
   (( segid " 1SG" and resid 90   and name HA  ))
   (( segid " 1SG" and resid 99   and name HA  ))
      2.800     1.000     1.000 peak  2017 spectrum    1 weight  0.10000E+01 volume  0.13667E-02 ppm1      4.768 ppm2      5.709 CV     1
 ASSI { 2018}
   (( segid " 1SG" and resid 68   and name HE1 ))
   (( segid " 1SG" and resid 37   and name HG2 ))
      2.400     2.400     3.600 peak  2018 spectrum    1 weight  0.10000E+01 volume  0.13655E-02 ppm1      3.019 ppm2      1.361 CV     1
 OR { 2018}
   (( segid " 1SG" and resid 68   and name HE2 ))
   (( segid " 1SG" and resid 37   and name HG2 ))
 OR { 2018}
   (( segid " 1SG" and resid 68   and name HE2 ))
   (( segid " 1SG" and resid 37   and name HB2 ))
 OR { 2018}
   (( segid " 1SG" and resid 68   and name HE1 ))
   (( segid " 1SG" and resid 37   and name HB2 ))
 ASSI { 2024}
   (  segid " 1SG" and resid 49   and name HD2%)
   (  segid " 1SG" and resid 87   and name HD% )
      2.800     1.000     1.000 peak  2024 spectrum    1 weight  0.10000E+01 volume  0.13589E-02 ppm1      1.029 ppm2      6.809 CV     1
 ASSI { 2025}
   (( segid " 1SG" and resid 4    and name HA  ))
   (( segid " 1SG" and resid 4    and name HG12))
      3.800     1.800     1.800 peak  2025 spectrum    1 weight  0.10000E+01 volume  0.13583E-02 ppm1      4.024 ppm2      1.245 CV     1
 ASSI { 2029}
   (( segid " 1SG" and resid 56   and name HA  ))
   (  segid " 1SG" and resid 77   and name HG2%)
      3.200     1.300     1.300 peak  2029 spectrum    1 weight  0.10000E+01 volume  0.13573E-02 ppm1      4.981 ppm2      1.049 CV     1
 ASSI { 2030}
   (  segid " 1SG" and resid 104  and name HD1%)
   (( segid " 1SG" and resid 15   and name HA  ))
      3.000     1.100     1.100 peak  2030 spectrum    1 weight  0.10000E+01 volume  0.13571E-02 ppm1      0.983 ppm2      5.499 CV     1
 ASSI { 2045}
   (( segid " 1SG" and resid 108  and name HG2 ))
   (  segid " 1SG" and resid 18   and name HG2%)
      3.000     1.200     1.200 peak  2045 spectrum    1 weight  0.10000E+01 volume  0.13437E-02 ppm1      2.191 ppm2      0.964 CV     1
 OR { 2045}
   (( segid " 1SG" and resid 108  and name HG1 ))
   (  segid " 1SG" and resid 18   and name HG2%)
 OR { 2045}
   (( segid " 1SG" and resid 108  and name HG1 ))
   (  segid " 1SG" and resid 18   and name HG1%)
 ASSI { 2047}
   (( segid " 1SG" and resid 40   and name HB2 ))
   (( segid " 1SG" and resid 40   and name HD2 ))
      2.800     1.000     1.000 peak  2047 spectrum    1 weight  0.10000E+01 volume  0.13421E-02 ppm1      1.370 ppm2      1.689 CV     1
 OR { 2047}
   (( segid " 1SG" and resid 40   and name HB2 ))
   (( segid " 1SG" and resid 40   and name HD1 ))
 ASSI { 2053}
   (( segid " 1SG" and resid 27   and name HD2 ))
   (  segid " 1SG" and resid 8    and name HG1%)
      3.000     1.100     1.100 peak  2053 spectrum    1 weight  0.10000E+01 volume  0.13377E-02 ppm1      3.129 ppm2      0.966 CV     1
 OR { 2053}
   (( segid " 1SG" and resid 27   and name HD1 ))
   (  segid " 1SG" and resid 8    and name HG1%)
 OR { 2053}
   (( segid " 1SG" and resid 27   and name HD1 ))
   (  segid " 1SG" and resid 8    and name HG2%)
 ASSI { 2066}
   (( segid " 1SG" and resid 10   and name HB2 ))
   (  segid " 1SG" and resid 26   and name HB% )
      3.600     3.600     2.400 peak  2066 spectrum    1 weight  0.10000E+01 volume  0.13235E-02 ppm1      1.238 ppm2      1.481 CV     1
 ASSI { 2073}
   (  segid " 1SG" and resid 76   and name HD1%)
   (  segid " 1SG" and resid 24   and name HE% )
      2.800     1.000     1.000 peak  2073 spectrum    1 weight  0.10000E+01 volume  0.13168E-02 ppm1      0.676 ppm2      7.166 CV     1
 ASSI { 2074}
   (( segid " 1SG" and resid 80   and name HG1 ))
   (  segid " 1SG" and resid 82   and name HB% )
      3.100     1.200     1.200 peak  2074 spectrum    1 weight  0.10000E+01 volume  0.13156E-02 ppm1      2.175 ppm2      1.330 CV     1
 OR { 2074}
   (( segid " 1SG" and resid 80   and name HG2 ))
   (  segid " 1SG" and resid 82   and name HB% )
 ASSI { 2077}
   (( segid " 1SG" and resid 50   and name HA  ))
   (( segid " 1SG" and resid 52   and name HD1 ))
      3.300     3.300     2.700 peak  2077 spectrum    1 weight  0.10000E+01 volume  0.13146E-02 ppm1      4.015 ppm2      1.596 CV     1
 OR { 2077}
   (( segid " 1SG" and resid 50   and name HA  ))
   (( segid " 1SG" and resid 52   and name HD2 ))
 OR { 2077}
   (( segid " 1SG" and resid 50   and name HB2 ))
   (( segid " 1SG" and resid 52   and name HD1 ))
 OR { 2077}
   (( segid " 1SG" and resid 50   and name HB2 ))
   (( segid " 1SG" and resid 52   and name HD2 ))
 ASSI { 2078}
   (  segid " 1SG" and resid 69   and name HG1%)
   (( segid " 1SG" and resid 27   and name HA  ))
      3.200     1.300     1.300 peak  2078 spectrum    1 weight  0.10000E+01 volume  0.13129E-02 ppm1      0.856 ppm2      5.839 CV     1
 ASSI { 2079}
   (  segid " 1SG" and resid 77   and name HG2%)
   (( segid " 1SG" and resid 21   and name HB2 ))
      3.100     1.200     1.200 peak  2079 spectrum    1 weight  0.10000E+01 volume  0.13120E-02 ppm1      1.049 ppm2      3.757 CV     1
 ASSI { 2082}
   (( segid " 1SG" and resid 21   and name HA  ))
   (( segid " 1SG" and resid 20   and name HN  ))
      3.100     3.100     2.900 peak  2082 spectrum    1 weight  0.10000E+01 volume  0.13105E-02 ppm1      5.517 ppm2      8.843 CV     1
 ASSI { 2087}
   (( segid " 1SG" and resid 58   and name HG2 ))
   (( segid " 1SG" and resid 75   and name HB2 ))
      3.000     1.200     1.200 peak  2087 spectrum    1 weight  0.10000E+01 volume  0.13047E-02 ppm1      1.816 ppm2      2.887 CV     1
 OR { 2087}
   (( segid " 1SG" and resid 58   and name HG2 ))
   (( segid " 1SG" and resid 75   and name HB1 ))
 ASSI { 2091}
   (( segid " 1SG" and resid 38   and name HA  ))
   (( segid " 1SG" and resid 38   and name HB  ))
      3.000     1.100     1.100 peak  2091 spectrum    1 weight  0.10000E+01 volume  0.13026E-02 ppm1      3.896 ppm2      1.900 CV     1
 ASSI { 2110}
   (( segid " 1SG" and resid 37   and name HD2 ))
   (( segid " 1SG" and resid 37   and name HG2 ))
      2.700     0.900     0.900 peak  2110 spectrum    1 weight  0.10000E+01 volume  0.12897E-02 ppm1      2.368 ppm2      1.373 CV     1
 OR { 2110}
   (( segid " 1SG" and resid 37   and name HD2 ))
   (( segid " 1SG" and resid 37   and name HB2 ))
 ASSI { 2121}
   (( segid " 1SG" and resid 76   and name HA  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      3.100     1.200     1.200 peak  2121 spectrum    1 weight  0.10000E+01 volume  0.12825E-02 ppm1      5.017 ppm2      1.434 CV     1
 ASSI { 2125}
   (( segid " 1SG" and resid 73   and name HB2 ))
   (  segid " 1SG" and resid 23   and name HG2%)
      3.100     1.200     1.200 peak  2125 spectrum    1 weight  0.10000E+01 volume  0.12792E-02 ppm1      1.540 ppm2      0.786 CV     1
 ASSI { 2146}
   (( segid " 1SG" and resid 65   and name HD1 ))
   (  segid " 1SG" and resid 31   and name HB% )
      3.300     3.300     2.700 peak  2146 spectrum    1 weight  0.10000E+01 volume  0.12656E-02 ppm1      3.242 ppm2      1.551 CV     1
 OR { 2146}
   (( segid " 1SG" and resid 65   and name HD2 ))
   (  segid " 1SG" and resid 31   and name HB% )
 ASSI { 2158}
   (( segid " 1SG" and resid 22   and name HA  ))
   (( segid " 1SG" and resid 22   and name HG12))
      3.500     1.500     1.500 peak  2158 spectrum    1 weight  0.10000E+01 volume  0.12601E-02 ppm1      4.352 ppm2      0.101 CV     1
 ASSI { 2171}
   (( segid " 1SG" and resid 83   and name HA  ))
   (  segid " 1SG" and resid 83   and name HD% )
      2.800     1.000     1.000 peak  2171 spectrum    1 weight  0.10000E+01 volume  0.12517E-02 ppm1      4.623 ppm2      7.128 CV     1
 ASSI { 2173}
   (( segid " 1SG" and resid 48   and name HA  ))
   (( segid " 1SG" and resid 42   and name HA  ))
      2.900     1.100     1.100 peak  2173 spectrum    1 weight  0.10000E+01 volume  0.12489E-02 ppm1      4.223 ppm2      5.804 CV     1
 ASSI { 2179}
   (( segid " 1SG" and resid 102  and name HB2 ))
   (( segid " 1SG" and resid 100  and name HB2 ))
      3.300     3.300     2.700 peak  2179 spectrum    1 weight  0.10000E+01 volume  0.12463E-02 ppm1      2.746 ppm2      2.972 CV     1
 ASSI { 2183}
   (( segid " 1SG" and resid 77   and name HA  ))
   (( segid " 1SG" and resid 21   and name HB2 ))
      3.400     1.400     1.400 peak  2183 spectrum    1 weight  0.10000E+01 volume  0.12434E-02 ppm1      4.660 ppm2      3.760 CV     1
 ASSI { 2186}
   (( segid " 1SG" and resid 80   and name HG2 ))
   (( segid " 1SG" and resid 106  and name HB  ))
      3.400     3.400     2.600 peak  2186 spectrum    1 weight  0.10000E+01 volume  0.12420E-02 ppm1      2.159 ppm2      1.868 CV     1
 OR { 2186}
   (( segid " 1SG" and resid 80   and name HG1 ))
   (( segid " 1SG" and resid 106  and name HB  ))
 ASSI { 2188}
   (( segid " 1SG" and resid 37   and name HD2 ))
   (  segid " 1SG" and resid 31   and name HB% )
      3.200     1.200     1.200 peak  2188 spectrum    1 weight  0.10000E+01 volume  0.12387E-02 ppm1      2.341 ppm2      1.526 CV     1
 ASSI { 2192}
   (  segid " 1SG" and resid 76   and name HG2%)
   (  segid " 1SG" and resid 83   and name HD% )
      3.000     1.100     1.100 peak  2192 spectrum    1 weight  0.10000E+01 volume  0.12362E-02 ppm1      0.821 ppm2      7.134 CV     1
 ASSI { 2197}
   (( segid " 1SG" and resid 27   and name HD1 ))
   (( segid " 1SG" and resid 9    and name HB2 ))
      2.900     1.100     1.100 peak  2197 spectrum    1 weight  0.10000E+01 volume  0.12335E-02 ppm1      3.125 ppm2      1.911 CV     1
 OR { 2197}
   (( segid " 1SG" and resid 27   and name HD2 ))
   (( segid " 1SG" and resid 9    and name HB2 ))
 ASSI { 2202}
   (  segid " 1SG" and resid 39   and name HG1%)
   (  segid " 1SG" and resid 91   and name HG2%)
      3.600     1.600     1.600 peak  2202 spectrum    1 weight  0.10000E+01 volume  0.12313E-02 ppm1     -0.058 ppm2      0.160 CV     1
 ASSI { 2207}
   (( segid " 1SG" and resid 65   and name HA  ))
   (( segid " 1SG" and resid 68   and name HA  ))
      2.900     1.000     1.000 peak  2207 spectrum    1 weight  0.10000E+01 volume  0.12267E-02 ppm1      3.454 ppm2      3.592 CV     1
 ASSI { 2222}
   (( segid " 1SG" and resid 48   and name HA  ))
   (( segid " 1SG" and resid 48   and name HB2 ))
      3.100     1.200     1.200 peak  2222 spectrum    1 weight  0.10000E+01 volume  0.12148E-02 ppm1      4.212 ppm2      2.933 CV     1
 ASSI { 2227}
   (( segid " 1SG" and resid 104  and name HA  ))
   (( segid " 1SG" and resid 104  and name HG  ))
      3.000     1.100     1.100 peak  2227 spectrum    1 weight  0.10000E+01 volume  0.12110E-02 ppm1      5.435 ppm2      1.354 CV     1
 ASSI { 2232}
   (  segid " 1SG" and resid 22   and name HD1%)
   (( segid " 1SG" and resid 22   and name HA  ))
      3.000     1.100     1.100 peak  2232 spectrum    1 weight  0.10000E+01 volume  0.12072E-02 ppm1      0.551 ppm2      4.359 CV     1
 OR { 2232}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 22   and name HA  ))
 ASSI { 2236}
   (  segid " 1SG" and resid 16   and name HG1%)
   (( segid " 1SG" and resid 22   and name HG12))
      3.600     1.600     1.600 peak  2236 spectrum    1 weight  0.10000E+01 volume  0.12048E-02 ppm1      0.978 ppm2      0.115 CV     1
 ASSI { 2241}
   (( segid " 1SG" and resid 27   and name HD1 ))
   (( segid " 1SG" and resid 9    and name HG2 ))
      3.100     1.200     1.200 peak  2241 spectrum    1 weight  0.10000E+01 volume  0.12032E-02 ppm1      3.123 ppm2      2.513 CV     1
 OR { 2241}
   (( segid " 1SG" and resid 27   and name HD2 ))
   (( segid " 1SG" and resid 9    and name HG2 ))
 ASSI { 2243}
   (( segid " 1SG" and resid 28   and name HB  ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      2.800     0.900     0.900 peak  2243 spectrum    1 weight  0.10000E+01 volume  0.12022E-02 ppm1      1.975 ppm2      2.823 CV     1
 ASSI { 2255}
   (  segid " 1SG" and resid 77   and name HG2%)
   (( segid " 1SG" and resid 75   and name HB1 ))
      2.800     1.000     1.000 peak  2255 spectrum    1 weight  0.10000E+01 volume  0.11969E-02 ppm1      1.046 ppm2      2.909 CV     1
 ASSI { 2258}
   (( segid " 1SG" and resid 6    and name HB2 ))
   (  segid " 1SG" and resid 6    and name HD1%)
      2.800     1.000     1.000 peak  2258 spectrum    1 weight  0.10000E+01 volume  0.11955E-02 ppm1      0.963 ppm2      0.668 CV     1
 ASSI { 2267}
   (( segid " 1SG" and resid 49   and name HA  ))
   (( segid " 1SG" and resid 52   and name HG2 ))
      2.900     1.000     1.000 peak  2267 spectrum    1 weight  0.10000E+01 volume  0.11907E-02 ppm1      3.862 ppm2      1.350 CV     1
 OR { 2267}
   (( segid " 1SG" and resid 49   and name HA  ))
   (( segid " 1SG" and resid 52   and name HG1 ))
 ASSI { 2271}
   (( segid " 1SG" and resid 76   and name HB  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      3.500     3.500     2.500 peak  2271 spectrum    1 weight  0.10000E+01 volume  0.11876E-02 ppm1      1.936 ppm2      1.428 CV     1
 ASSI { 2279}
   (( segid " 1SG" and resid 88   and name HA  ))
   (( segid " 1SG" and resid 99   and name HB2 ))
      3.200     3.200     2.800 peak  2279 spectrum    1 weight  0.10000E+01 volume  0.11808E-02 ppm1      5.350 ppm2      2.743 CV     1
 ASSI { 2289}
   (  segid " 1SG" and resid 28   and name HG2%)
   (( segid " 1SG" and resid 37   and name HB2 ))
      3.300     1.400     1.400 peak  2289 spectrum    1 weight  0.10000E+01 volume  0.11745E-02 ppm1      0.647 ppm2      1.378 CV     1
 OR { 2289}
   (  segid " 1SG" and resid 28   and name HG2%)
   (( segid " 1SG" and resid 37   and name HG2 ))
 ASSI { 2293}
   (( segid " 1SG" and resid 31   and name HA  ))
   (( segid " 1SG" and resid 68   and name HG2 ))
      3.100     1.200     1.200 peak  2293 spectrum    1 weight  0.10000E+01 volume  0.11722E-02 ppm1      4.171 ppm2      1.264 CV     1
 OR { 2293}
   (( segid " 1SG" and resid 31   and name HA  ))
   (( segid " 1SG" and resid 68   and name HG1 ))
 ASSI { 2296}
   (  segid " 1SG" and resid 59   and name HD2%)
   (( segid " 1SG" and resid 41   and name HD1 ))
      3.100     1.200     1.200 peak  2296 spectrum    1 weight  0.10000E+01 volume  0.11696E-02 ppm1      0.713 ppm2      7.136 CV     1
 ASSI { 2297}
   (( segid " 1SG" and resid 33   and name HB2 ))
   (( segid " 1SG" and resid 93   and name HA  ))
      3.400     3.400     2.600 peak  2297 spectrum    1 weight  0.10000E+01 volume  0.11690E-02 ppm1      1.752 ppm2      4.754 CV     1
 ASSI { 2301}
   (( segid " 1SG" and resid 91   and name HB  ))
   (  segid " 1SG" and resid 39   and name HG2%)
      2.900     1.000     1.000 peak  2301 spectrum    1 weight  0.10000E+01 volume  0.11666E-02 ppm1      1.137 ppm2     -0.446 CV     1
 ASSI { 2305}
   (( segid " 1SG" and resid 6    and name HG  ))
   (( segid " 1SG" and resid 96   and name HB2 ))
      3.900     1.900     1.900 peak  2305 spectrum    1 weight  0.10000E+01 volume  0.11639E-02 ppm1      1.340 ppm2      1.586 CV     1
 ASSI { 2310}
   (( segid " 1SG" and resid 70   and name HA  ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      3.200     1.300     1.300 peak  2310 spectrum    1 weight  0.10000E+01 volume  0.11606E-02 ppm1      4.744 ppm2      2.830 CV     1
 ASSI { 2317}
   (( segid " 1SG" and resid 93   and name HB  ))
   (  segid " 1SG" and resid 33   and name HD1%)
      3.400     1.400     1.400 peak  2317 spectrum    1 weight  0.10000E+01 volume  0.11577E-02 ppm1      4.559 ppm2      0.871 CV     1
 OR { 2317}
   (( segid " 1SG" and resid 93   and name HB  ))
   (  segid " 1SG" and resid 33   and name HD2%)
 ASSI { 2331}
   (  segid " 1SG" and resid 106  and name HG1%)
   (( segid " 1SG" and resid 81   and name HA  ))
      2.800     1.000     1.000 peak  2331 spectrum    1 weight  0.10000E+01 volume  0.11514E-02 ppm1      0.693 ppm2      4.008 CV     1
 ASSI { 2335}
   (( segid " 1SG" and resid 39   and name HA  ))
   (( segid " 1SG" and resid 39   and name HB  ))
      3.000     1.100     1.100 peak  2335 spectrum    1 weight  0.10000E+01 volume  0.11469E-02 ppm1      4.804 ppm2      0.587 CV     1
 ASSI { 2340}
   (( segid " 1SG" and resid 98   and name HA  ))
   (( segid " 1SG" and resid 98   and name HB2 ))
      3.100     1.200     1.200 peak  2340 spectrum    1 weight  0.10000E+01 volume  0.11448E-02 ppm1      4.694 ppm2      2.296 CV     1
 ASSI { 2346}
   (( segid " 1SG" and resid 6    and name HB2 ))
   (  segid " 1SG" and resid 6    and name HD2%)
      2.900     1.100     1.100 peak  2346 spectrum    1 weight  0.10000E+01 volume  0.11409E-02 ppm1      0.963 ppm2      0.486 CV     1
 ASSI { 2362}
   (( segid " 1SG" and resid 7    and name HA  ))
   (( segid " 1SG" and resid 7    and name HB2 ))
      3.000     1.100     1.100 peak  2362 spectrum    1 weight  0.10000E+01 volume  0.11344E-02 ppm1      4.637 ppm2      2.585 CV     1
 ASSI { 2363}
   (( segid " 1SG" and resid 36   and name HA  ))
   (( segid " 1SG" and resid 36   and name HG2 ))
      3.600     1.700     1.700 peak  2363 spectrum    1 weight  0.10000E+01 volume  0.11337E-02 ppm1      4.009 ppm2      1.986 CV     1
 ASSI { 2364}
   (( segid " 1SG" and resid 81   and name HD2 ))
   (( segid " 1SG" and resid 80   and name HB1 ))
      3.400     1.500     1.500 peak  2364 spectrum    1 weight  0.10000E+01 volume  0.11335E-02 ppm1      3.586 ppm2      1.952 CV     1
 OR { 2364}
   (( segid " 1SG" and resid 81   and name HD2 ))
   (( segid " 1SG" and resid 80   and name HB2 ))
 ASSI { 2366}
   (  segid " 1SG" and resid 59   and name HD1%)
   (( segid " 1SG" and resid 59   and name HA  ))
      3.700     1.700     1.700 peak  2366 spectrum    1 weight  0.10000E+01 volume  0.11324E-02 ppm1      0.860 ppm2      5.189 CV     1
 ASSI { 2378}
   (( segid " 1SG" and resid 104  and name HA  ))
   (( segid " 1SG" and resid 104  and name HB2 ))
      2.700     0.900     0.900 peak  2378 spectrum    1 weight  0.10000E+01 volume  0.11221E-02 ppm1      5.436 ppm2      1.226 CV     1
 ASSI { 2382}
   (  segid " 1SG" and resid 76   and name HD1%)
   (( segid " 1SG" and resid 76   and name HA  ))
      3.600     1.600     1.600 peak  2382 spectrum    1 weight  0.10000E+01 volume  0.11193E-02 ppm1      0.679 ppm2      5.010 CV     1
 ASSI { 2392}
   (( segid " 1SG" and resid 43   and name HA  ))
   (( segid " 1SG" and resid 43   and name HB2 ))
      2.700     0.900     0.900 peak  2392 spectrum    1 weight  0.10000E+01 volume  0.11141E-02 ppm1      4.138 ppm2      1.232 CV     1
 ASSI { 2397}
   (( segid " 1SG" and resid 6    and name HA  ))
   (  segid " 1SG" and resid 29   and name HB% )
      2.900     1.100     1.100 peak  2397 spectrum    1 weight  0.10000E+01 volume  0.11127E-02 ppm1      4.459 ppm2      1.524 CV     1
 ASSI { 2402}
   (( segid " 1SG" and resid 101  and name HA  ))
   (( segid " 1SG" and resid 101  and name HB2 ))
      3.100     1.200     1.200 peak  2402 spectrum    1 weight  0.10000E+01 volume  0.11078E-02 ppm1      5.518 ppm2      2.697 CV     1
 ASSI { 2404}
   (  segid " 1SG" and resid 106  and name HG1%)
   (( segid " 1SG" and resid 83   and name HB2 ))
      3.100     1.200     1.200 peak  2404 spectrum    1 weight  0.10000E+01 volume  0.11071E-02 ppm1      0.689 ppm2      3.185 CV     1
 ASSI { 2405}
   (  segid " 1SG" and resid 26   and name HB% )
   (( segid " 1SG" and resid 72   and name HB2 ))
      3.200     1.200     1.200 peak  2405 spectrum    1 weight  0.10000E+01 volume  0.11066E-02 ppm1      1.468 ppm2      2.900 CV     1
 ASSI { 2415}
   (( segid " 1SG" and resid 43   and name HB2 ))
   (( segid " 1SG" and resid 43   and name HD2 ))
      2.800     1.000     1.000 peak  2415 spectrum    1 weight  0.10000E+01 volume  0.10982E-02 ppm1      1.235 ppm2      1.303 CV     1
 OR { 2415}
   (( segid " 1SG" and resid 43   and name HB2 ))
   (( segid " 1SG" and resid 43   and name HD1 ))
 ASSI { 2422}
   (( segid " 1SG" and resid 77   and name HB  ))
   (( segid " 1SG" and resid 20   and name HA1 ))
      3.700     3.700     2.300 peak  2422 spectrum    1 weight  0.10000E+01 volume  0.10950E-02 ppm1      4.020 ppm2      3.721 CV     1
 ASSI { 2432}
   (( segid " 1SG" and resid 9    and name HB2 ))
   (( segid " 1SG" and resid 27   and name HB1 ))
      3.200     1.300     1.300 peak  2432 spectrum    1 weight  0.10000E+01 volume  0.10886E-02 ppm1      1.915 ppm2      1.587 CV     1
 OR { 2432}
   (( segid " 1SG" and resid 9    and name HB2 ))
   (( segid " 1SG" and resid 27   and name HB2 ))
 ASSI { 2438}
   (( segid " 1SG" and resid 41   and name HB2 ))
   (  segid " 1SG" and resid 49   and name HD2%)
      3.300     1.400     1.400 peak  2438 spectrum    1 weight  0.10000E+01 volume  0.10845E-02 ppm1      3.149 ppm2      1.032 CV     1
 ASSI { 2472}
   (( segid " 1SG" and resid 41   and name HA  ))
   (( segid " 1SG" and resid 41   and name HB2 ))
      3.200     1.300     1.300 peak  2472 spectrum    1 weight  0.10000E+01 volume  0.10618E-02 ppm1      5.478 ppm2      3.157 CV     1
 ASSI { 2478}
   (  segid " 1SG" and resid 49   and name HD2%)
   (( segid " 1SG" and resid 53   and name HN  ))
      3.600     1.600     1.600 peak  2478 spectrum    1 weight  0.10000E+01 volume  0.10547E-02 ppm1      1.042 ppm2      6.757 CV     1
 ASSI { 2484}
   (( segid " 1SG" and resid 103  and name HA  ))
   (( segid " 1SG" and resid 86   and name HA1 ))
      3.900     1.900     1.900 peak  2484 spectrum    1 weight  0.10000E+01 volume  0.10529E-02 ppm1      5.555 ppm2      3.498 CV     1
 ASSI { 2491}
   (( segid " 1SG" and resid 76   and name HA  ))
   (( segid " 1SG" and resid 76   and name HG12))
      2.800     1.000     1.000 peak  2491 spectrum    1 weight  0.10000E+01 volume  0.10491E-02 ppm1      5.014 ppm2      1.107 CV     1
 ASSI { 2498}
   (( segid " 1SG" and resid 69   and name HA  ))
   (( segid " 1SG" and resid 69   and name HB  ))
      3.000     1.200     1.200 peak  2498 spectrum    1 weight  0.10000E+01 volume  0.10426E-02 ppm1      4.599 ppm2      1.771 CV     1
 ASSI { 2500}
   (( segid " 1SG" and resid 3    and name HD1 ))
   (( segid " 1SG" and resid 3    and name HB2 ))
      3.500     1.600     1.600 peak  2500 spectrum    1 weight  0.10000E+01 volume  0.10398E-02 ppm1      3.865 ppm2      2.293 CV     1
 OR { 2500}
   (( segid " 1SG" and resid 3    and name HD2 ))
   (( segid " 1SG" and resid 3    and name HB1 ))
 OR { 2500}
   (( segid " 1SG" and resid 3    and name HD2 ))
   (( segid " 1SG" and resid 3    and name HB2 ))
 OR { 2500}
   (( segid " 1SG" and resid 3    and name HD1 ))
   (( segid " 1SG" and resid 3    and name HB1 ))
 ASSI { 2501}
   (( segid " 1SG" and resid 42   and name HA  ))
   (  segid " 1SG" and resid 49   and name HD1%)
      3.000     1.100     1.100 peak  2501 spectrum    1 weight  0.10000E+01 volume  0.10396E-02 ppm1      5.813 ppm2      1.783 CV     1
 ASSI { 2511}
   (( segid " 1SG" and resid 16   and name HB  ))
   (( segid " 1SG" and resid 22   and name HB  ))
      3.600     1.600     1.600 peak  2511 spectrum    1 weight  0.10000E+01 volume  0.10281E-02 ppm1      1.814 ppm2      1.533 CV     1
 ASSI { 2523}
   (  segid " 1SG" and resid 53   and name HG2%)
   (( segid " 1SG" and resid 43   and name HB2 ))
      3.700     1.700     1.700 peak  2523 spectrum    1 weight  0.10000E+01 volume  0.10235E-02 ppm1      1.111 ppm2      1.209 CV     1
 OR { 2523}
   (  segid " 1SG" and resid 53   and name HG1%)
   (( segid " 1SG" and resid 43   and name HB2 ))
 ASSI { 2528}
   (( segid " 1SG" and resid 6    and name HA  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.800     1.800     1.800 peak  2528 spectrum    1 weight  0.10000E+01 volume  0.10204E-02 ppm1      4.452 ppm2      0.493 CV     1
 ASSI { 2536}
   (( segid " 1SG" and resid 59   and name HG  ))
   (  segid " 1SG" and resid 74   and name HD2%)
      2.900     1.100     1.100 peak  2536 spectrum    1 weight  0.10000E+01 volume  0.10142E-02 ppm1      1.444 ppm2      0.414 CV     1
 OR { 2536}
   (( segid " 1SG" and resid 59   and name HG  ))
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI { 2549}
   (  segid " 1SG" and resid 39   and name HG2%)
   (( segid " 1SG" and resid 37   and name HB2 ))
      2.900     1.000     1.000 peak  2549 spectrum    1 weight  0.10000E+01 volume  0.10069E-02 ppm1     -0.453 ppm2      1.391 CV     1
 ASSI { 2550}
   (( segid " 1SG" and resid 85   and name HA2 ))
   (( segid " 1SG" and resid 44   and name HA2 ))
      3.100     1.200     1.200 peak  2550 spectrum    1 weight  0.10000E+01 volume  0.10067E-02 ppm1      4.537 ppm2      3.813 CV     1
 ASSI { 2580}
   (  segid " 1SG" and resid 59   and name HD1%)
   (( segid " 1SG" and resid 41   and name HD1 ))
      3.000     1.100     1.100 peak  2580 spectrum    1 weight  0.10000E+01 volume  0.98407E-03 ppm1      0.866 ppm2      7.141 CV     1
 ASSI { 2591}
   (( segid " 1SG" and resid 43   and name HA  ))
   (( segid " 1SG" and resid 43   and name HG2 ))
      3.400     1.400     1.400 peak  2591 spectrum    1 weight  0.10000E+01 volume  0.97618E-03 ppm1      4.134 ppm2      0.081 CV     1
 ASSI { 2595}
   (( segid " 1SG" and resid 108  and name HA  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.600     1.600     1.600 peak  2595 spectrum    1 weight  0.10000E+01 volume  0.97466E-03 ppm1      4.150 ppm2      0.398 CV     1
 ASSI { 2607}
   (  segid " 1SG" and resid 104  and name HD2%)
   (( segid " 1SG" and resid 104  and name HA  ))
      4.000     2.000     2.000 peak  2607 spectrum    1 weight  0.10000E+01 volume  0.96503E-03 ppm1      0.833 ppm2      5.446 CV     1
 ASSI {   29}
   (  segid " 1SG" and resid 97   and name HD% )
   (  segid " 1SG" and resid 97   and name HE% )
      2.100     0.600     0.600 peak    29 spectrum    1 weight  0.10000E+01 volume  0.76848E-02 ppm1      7.085 ppm2      7.264 CV     1
 ASSI {   35}
   (  segid " 1SG" and resid 42   and name HE% )
   (( segid " 1SG" and resid 42   and name HZ  ))
      2.200     0.600     0.600 peak    35 spectrum    1 weight  0.10000E+01 volume  0.66209E-02 ppm1      7.079 ppm2      7.178 CV     1
 ASSI {   46}
   (  segid " 1SG" and resid 70   and name HD% )
   (( segid " 1SG" and resid 70   and name HB2 ))
      2.100     0.500     0.500 peak    46 spectrum    1 weight  0.10000E+01 volume  0.69833E-02 ppm1      7.029 ppm2      2.797 CV     1
 ASSI {   51}
   (  segid " 1SG" and resid 87   and name HD% )
   (  segid " 1SG" and resid 76   and name HD1%)
      2.200     2.200     3.800 peak    51 spectrum    1 weight  0.10000E+01 volume  0.69833E-02 ppm1      6.766 ppm2      0.633 CV     1
 ASSI {   53}
   (  segid " 1SG" and resid 42   and name HD% )
   (  segid " 1SG" and resid 42   and name HE% )
      2.400     0.700     0.700 peak    53 spectrum    1 weight  0.10000E+01 volume  0.34297E-02 ppm1      6.664 ppm2      7.098 CV     1
 ASSI {   62}
   (  segid " 1SG" and resid 87   and name HE% )
   (  segid " 1SG" and resid 104  and name HD1%)
      2.500     2.500     3.500 peak    62 spectrum    1 weight  0.10000E+01 volume  0.69833E-02 ppm1      6.552 ppm2      0.945 CV     1
 ASSI {   63}
   (  segid " 1SG" and resid 87   and name HE% )
   (( segid " 1SG" and resid 57   and name HG  ))
      2.000     2.000     4.000 peak    63 spectrum    1 weight  0.10000E+01 volume  0.69833E-02 ppm1      6.553 ppm2      0.751 CV     1
 ASSI {   66}
   (  segid " 1SG" and resid 83   and name HE% )
   (( segid " 1SG" and resid 46   and name HZ2 ))
      2.100     2.100     3.900 peak    66 spectrum    1 weight  0.10000E+01 volume  0.25258E-02 ppm1      7.259 ppm2      7.400 CV     1
 ASSI {   77}
   (  segid " 1SG" and resid 63   and name HE% )
   (  segid " 1SG" and resid 63   and name HD% )
      2.700     0.900     0.900 peak    77 spectrum    1 weight  0.10000E+01 volume  0.19471E-02 ppm1      6.071 ppm2      5.874 CV     1
 ASSI {   87}
   (( segid " 1SG" and resid 46   and name HH2 ))
   (( segid " 1SG" and resid 46   and name HZ2 ))
      2.800     1.000     1.000 peak    87 spectrum    1 weight  0.10000E+01 volume  0.16449E-02 ppm1      7.111 ppm2      7.374 CV     1
 ASSI {   97}
   (  segid " 1SG" and resid 70   and name HE% )
   (  segid " 1SG" and resid 70   and name HD% )
      2.800     1.000     1.000 peak    97 spectrum    1 weight  0.10000E+01 volume  0.13920E-02 ppm1      6.595 ppm2      7.034 CV     1
 ASSI {  104}
   (( segid " 1SG" and resid 46   and name HD1 ))
   (( segid " 1SG" and resid 46   and name HB2 ))
      2.400     0.700     0.700 peak   104 spectrum    1 weight  0.10000E+01 volume  0.69833E-02 ppm1      7.109 ppm2      3.051 CV     1
 ASSI {  109}
   (  segid " 1SG" and resid 87   and name HD% )
   (  segid " 1SG" and resid 87   and name HE% )
      2.700     0.900     0.900 peak   109 spectrum    1 weight  0.10000E+01 volume  0.12455E-02 ppm1      6.767 ppm2      6.573 CV     1
 ASSI {  120}
   (  segid " 1SG" and resid 102  and name HD% )
   (  segid " 1SG" and resid 102  and name HE% )
      2.100     0.500     0.500 peak   120 spectrum    1 weight  0.10000E+01 volume  0.69833E-02 ppm1      6.778 ppm2      7.092 CV     1
 ASSI {  125}
   (( segid " 1SG" and resid 56   and name HE1 ))
   (( segid " 1SG" and resid 57   and name HG  ))
      3.200     1.200     1.200 peak   125 spectrum    1 weight  0.10000E+01 volume  0.10552E-02 ppm1      7.630 ppm2      0.738 CV     1
 ASSI {  168}
   (  segid " 1SG" and resid 83   and name HD% )
   (( segid " 1SG" and resid 80   and name HN  ))
      2.000     0.500     0.500 peak   168 spectrum    1 weight  0.10000E+01 volume  0.69833E-02 ppm1      7.090 ppm2      5.565 CV     1
 ASSI {  180}
   (( segid " 1SG" and resid 75   and name HE1 ))
   (( segid " 1SG" and resid 75   and name HB1 ))
      2.200     2.200     3.800 peak   180 spectrum    1 weight  0.10000E+01 volume  0.68622E-02 ppm1      8.255 ppm2      2.876 CV     1
 OR {  180}
   (( segid " 1SG" and resid 75   and name HE1 ))
   (( segid " 1SG" and resid 75   and name HB2 ))
 ASSI {  186}
   (  segid " 1SG" and resid 83   and name HD% )
   (  segid " 1SG" and resid 47   and name HG2%)
      2.100     2.100     3.900 peak   186 spectrum    1 weight  0.10000E+01 volume  0.68622E-02 ppm1      7.088 ppm2      0.769 CV     1
 ASSI {  187}
   (  segid " 1SG" and resid 24   and name HD% )
   (  segid " 1SG" and resid 24   and name HE% )
      2.100     0.500     0.500 peak   187 spectrum    1 weight  0.10000E+01 volume  0.68622E-02 ppm1      6.951 ppm2      7.189 CV     1
 ASSI {  189}
   (  segid " 1SG" and resid 83   and name HE% )
   (( segid " 1SG" and resid 57   and name HG  ))
      2.300     2.300     3.700 peak   189 spectrum    1 weight  0.10000E+01 volume  0.68622E-02 ppm1      7.258 ppm2      0.724 CV     1
 ASSI {  190}
   (  segid " 1SG" and resid 83   and name HD% )
   (  segid " 1SG" and resid 83   and name HE% )
      2.100     0.500     0.500 peak   190 spectrum    1 weight  0.10000E+01 volume  0.68907E-02 ppm1      7.090 ppm2      7.269 CV     1
 ASSI {  192}
   (  segid " 1SG" and resid 63   and name HE% )
   (( segid " 1SG" and resid 65   and name HG2 ))
      2.100     0.600     0.600 peak   192 spectrum    1 weight  0.10000E+01 volume  0.68902E-02 ppm1      6.071 ppm2      1.670 CV     1
 OR {  192}
   (  segid " 1SG" and resid 63   and name HE% )
   (( segid " 1SG" and resid 65   and name HG1 ))
 ASSI {  195}
   (( segid " 1SG" and resid 41   and name HZ2 ))
   (( segid " 1SG" and resid 41   and name HH2 ))
      2.000     0.500     0.500 peak   195 spectrum    1 weight  0.10000E+01 volume  0.68902E-02 ppm1      7.080 ppm2      6.606 CV     1
 ASSI {    8}
   (( segid " 1SG" and resid 12   and name HE21))
   (( segid " 1SG" and resid 12   and name HE22))
      1.500     0.300     0.700 peak     8 spectrum    1 weight  0.10000E+01 volume  0.62948E-01 ppm1      7.451 ppm2      6.922 CV     1
 ASSI {   15}
   (( segid " 1SG" and resid 103  and name HD21))
   (( segid " 1SG" and resid 103  and name HD22))
      1.600     0.300     0.600 peak    15 spectrum    1 weight  0.10000E+01 volume  0.33434E-01 ppm1      7.722 ppm2      6.746 CV     1
 ASSI {   22}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 58   and name HE22))
      1.600     0.300     0.600 peak    22 spectrum    1 weight  0.10000E+01 volume  0.26345E-01 ppm1      7.438 ppm2      6.684 CV     1
 ASSI {   41}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 107  and name HA  ))
      2.000     0.500     0.500 peak    41 spectrum    1 weight  0.10000E+01 volume  0.19030E-01 ppm1      8.564 ppm2      4.843 CV     1
 ASSI {   45}
   (( segid " 1SG" and resid 80   and name HE22))
   (( segid " 1SG" and resid 80   and name HE21))
      1.800     0.400     0.400 peak    45 spectrum    1 weight  0.10000E+01 volume  0.18359E-01 ppm1      6.645 ppm2      6.985 CV     1
 ASSI {   51}
   (( segid " 1SG" and resid 66   and name HN  ))
   (  segid " 1SG" and resid 66   and name HB% )
      2.200     0.600     0.600 peak    51 spectrum    1 weight  0.10000E+01 volume  0.17017E-01 ppm1      8.106 ppm2      1.408 CV     1
 ASSI {   60}
   (( segid " 1SG" and resid 61   and name HN  ))
   (( segid " 1SG" and resid 60   and name HA  ))
      2.200     0.600     0.600 peak    60 spectrum    1 weight  0.10000E+01 volume  0.14618E-01 ppm1      8.180 ppm2      5.068 CV     1
 ASSI {   62}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 38   and name HA  ))
      2.000     0.500     0.500 peak    62 spectrum    1 weight  0.10000E+01 volume  0.14432E-01 ppm1      7.892 ppm2      3.893 CV     1
 ASSI {   64}
   (( segid " 1SG" and resid 17   and name HN  ))
   (( segid " 1SG" and resid 16   and name HA  ))
      2.200     0.600     0.600 peak    64 spectrum    1 weight  0.10000E+01 volume  0.14108E-01 ppm1      7.900 ppm2      4.580 CV     1
 ASSI {   67}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (( segid " 1SG" and resid 41   and name HD1 ))
      2.200     0.600     0.600 peak    67 spectrum    1 weight  0.10000E+01 volume  0.13560E-01 ppm1     10.780 ppm2      7.129 CV     1
 ASSI {   72}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 12   and name HA  ))
      2.200     0.600     0.600 peak    72 spectrum    1 weight  0.10000E+01 volume  0.12391E-01 ppm1      8.312 ppm2      4.679 CV     1
 ASSI {   80}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 95   and name HA  ))
      2.100     2.100     3.900 peak    80 spectrum    1 weight  0.10000E+01 volume  0.11650E-01 ppm1      7.969 ppm2      4.735 CV     1
 ASSI {   81}
   (( segid " 1SG" and resid 53   and name HN  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      2.000     0.500     0.500 peak    81 spectrum    1 weight  0.10000E+01 volume  0.11470E-01 ppm1      6.764 ppm2      1.067 CV     1
 ASSI {   84}
   (( segid " 1SG" and resid 21   and name HN  ))
   (( segid " 1SG" and resid 20   and name HA1 ))
      2.000     0.500     0.500 peak    84 spectrum    1 weight  0.10000E+01 volume  0.10756E-01 ppm1      8.170 ppm2      3.727 CV     1
 ASSI {   85}
   (( segid " 1SG" and resid 79   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      2.200     0.600     0.600 peak    85 spectrum    1 weight  0.10000E+01 volume  0.10712E-01 ppm1      8.974 ppm2      1.174 CV     1
 ASSI {   88}
   (( segid " 1SG" and resid 18   and name HN  ))
   (( segid " 1SG" and resid 17   and name HA  ))
      2.200     0.600     0.600 peak    88 spectrum    1 weight  0.10000E+01 volume  0.10535E-01 ppm1      8.005 ppm2      4.728 CV     1
 ASSI {   95}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 53   and name HA  ))
      2.100     0.500     0.500 peak    95 spectrum    1 weight  0.10000E+01 volume  0.97899E-02 ppm1      9.019 ppm2      4.049 CV     1
 ASSI {  102}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 93   and name HA  ))
      2.700     2.700     3.300 peak   102 spectrum    1 weight  0.10000E+01 volume  0.95654E-02 ppm1      7.511 ppm2      4.762 CV     1
 ASSI {  111}
   (( segid " 1SG" and resid 93   and name HN  ))
   (( segid " 1SG" and resid 92   and name HA  ))
      2.300     0.700     0.700 peak   111 spectrum    1 weight  0.10000E+01 volume  0.90530E-02 ppm1      8.557 ppm2      5.243 CV     1
 ASSI {  112}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 58   and name HA  ))
      2.100     0.500     0.500 peak   112 spectrum    1 weight  0.10000E+01 volume  0.89959E-02 ppm1      8.381 ppm2      4.632 CV     1
 ASSI {  114}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 64   and name HA  ))
      2.200     0.600     0.600 peak   114 spectrum    1 weight  0.10000E+01 volume  0.87639E-02 ppm1      8.306 ppm2      4.576 CV     1
 ASSI {  116}
   (( segid " 1SG" and resid 48   and name HN  ))
   (( segid " 1SG" and resid 47   and name HA  ))
      2.200     0.600     0.600 peak   116 spectrum    1 weight  0.10000E+01 volume  0.86191E-02 ppm1      8.397 ppm2      4.057 CV     1
 ASSI {  117}
   (( segid " 1SG" and resid 21   and name HN  ))
   (( segid " 1SG" and resid 20   and name HA2 ))
      3.100     1.200     1.200 peak   117 spectrum    1 weight  0.10000E+01 volume  0.86179E-02 ppm1      8.169 ppm2      4.378 CV     1
 ASSI {  120}
   (( segid " 1SG" and resid 23   and name HN  ))
   (( segid " 1SG" and resid 22   and name HA  ))
      2.200     0.600     0.600 peak   120 spectrum    1 weight  0.10000E+01 volume  0.85498E-02 ppm1      7.914 ppm2      4.342 CV     1
 ASSI {  122}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 59   and name HA  ))
      2.200     0.600     0.600 peak   122 spectrum    1 weight  0.10000E+01 volume  0.85013E-02 ppm1      8.687 ppm2      5.184 CV     1
 ASSI {  123}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 21   and name HA  ))
      2.100     0.600     0.600 peak   123 spectrum    1 weight  0.10000E+01 volume  0.84379E-02 ppm1      8.888 ppm2      5.491 CV     1
 ASSI {  125}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 57   and name HA  ))
      2.000     0.500     0.500 peak   125 spectrum    1 weight  0.10000E+01 volume  0.83842E-02 ppm1      8.940 ppm2      5.399 CV     1
 ASSI {  126}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 61   and name HA  ))
      2.100     0.500     0.500 peak   126 spectrum    1 weight  0.10000E+01 volume  0.83623E-02 ppm1      8.849 ppm2      5.560 CV     1
 ASSI {  128}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 53   and name HB  ))
      2.300     0.700     0.700 peak   128 spectrum    1 weight  0.10000E+01 volume  0.82815E-02 ppm1      6.764 ppm2      2.128 CV     1
 ASSI {  130}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 4    and name HB  ))
      2.000     0.500     0.500 peak   130 spectrum    1 weight  0.10000E+01 volume  0.81753E-02 ppm1      8.264 ppm2      2.024 CV     1
 ASSI {  133}
   (( segid " 1SG" and resid 77   and name HN  ))
   (( segid " 1SG" and resid 76   and name HA  ))
      2.100     0.600     0.600 peak   133 spectrum    1 weight  0.10000E+01 volume  0.80224E-02 ppm1      8.717 ppm2      4.983 CV     1
 ASSI {  135}
   (( segid " 1SG" and resid 85   and name HN  ))
   (( segid " 1SG" and resid 84   and name HA  ))
      2.300     0.600     0.600 peak   135 spectrum    1 weight  0.10000E+01 volume  0.79711E-02 ppm1      9.407 ppm2      4.227 CV     1
 OR {  135}
   (( segid " 1SG" and resid 85   and name HN  ))
   (( segid " 1SG" and resid 84   and name HB  ))
 ASSI {  137}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 66   and name HA  ))
      2.500     0.800     0.800 peak   137 spectrum    1 weight  0.10000E+01 volume  0.79503E-02 ppm1      8.106 ppm2      4.123 CV     1
 ASSI {  140}
   (( segid " 1SG" and resid 29   and name HN  ))
   (  segid " 1SG" and resid 29   and name HB% )
      2.400     0.700     0.700 peak   140 spectrum    1 weight  0.10000E+01 volume  0.77120E-02 ppm1      8.854 ppm2      1.508 CV     1
 ASSI {  142}
   (( segid " 1SG" and resid 47   and name HN  ))
   (  segid " 1SG" and resid 47   and name HG1%)
      2.600     0.900     0.900 peak   142 spectrum    1 weight  0.10000E+01 volume  0.76814E-02 ppm1      7.291 ppm2      0.977 CV     1
 ASSI {  145}
   (( segid " 1SG" and resid 18   and name HN  ))
   (  segid " 1SG" and resid 18   and name HG2%)
      2.200     0.600     0.600 peak   145 spectrum    1 weight  0.10000E+01 volume  0.76127E-02 ppm1      8.005 ppm2      0.939 CV     1
 ASSI {  147}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 96   and name HA  ))
      2.200     0.600     0.600 peak   147 spectrum    1 weight  0.10000E+01 volume  0.75729E-02 ppm1      8.065 ppm2      4.772 CV     1
 ASSI {  148}
   (( segid " 1SG" and resid 12   and name HE21))
   (( segid " 1SG" and resid 12   and name HG2 ))
      2.500     0.800     0.800 peak   148 spectrum    1 weight  0.10000E+01 volume  0.75446E-02 ppm1      7.451 ppm2      2.471 CV     1
 OR {  148}
   (( segid " 1SG" and resid 12   and name HE21))
   (( segid " 1SG" and resid 12   and name HG1 ))
 ASSI {  150}
   (( segid " 1SG" and resid 101  and name HD22))
   (( segid " 1SG" and resid 12   and name HE21))
      2.000     2.000     4.000 peak   150 spectrum    1 weight  0.10000E+01 volume  0.74991E-02 ppm1      6.723 ppm2      7.459 CV     1
 ASSI {  152}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 108  and name HB2 ))
      2.400     0.700     0.700 peak   152 spectrum    1 weight  0.10000E+01 volume  0.74679E-02 ppm1      8.564 ppm2      1.911 CV     1
 ASSI {  155}
   (( segid " 1SG" and resid 19   and name HN  ))
   (( segid " 1SG" and resid 18   and name HA  ))
      2.100     0.600     0.600 peak   155 spectrum    1 weight  0.10000E+01 volume  0.73098E-02 ppm1      9.827 ppm2      3.479 CV     1
 ASSI {  156}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 14   and name HA2 ))
      2.300     0.600     0.600 peak   156 spectrum    1 weight  0.10000E+01 volume  0.72665E-02 ppm1      8.504 ppm2      4.931 CV     1
 ASSI {  159}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 78   and name HA  ))
      2.400     0.700     0.700 peak   159 spectrum    1 weight  0.10000E+01 volume  0.71534E-02 ppm1      8.974 ppm2      4.103 CV     1
 ASSI {  160}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 39   and name HA  ))
      2.100     0.600     0.600 peak   160 spectrum    1 weight  0.10000E+01 volume  0.69838E-02 ppm1      8.694 ppm2      4.799 CV     1
 ASSI {  161}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 37   and name HA  ))
      2.200     0.600     0.600 peak   161 spectrum    1 weight  0.10000E+01 volume  0.69364E-02 ppm1      8.374 ppm2      4.490 CV     1
 ASSI {  164}
   (( segid " 1SG" and resid 29   and name HN  ))
   (( segid " 1SG" and resid 28   and name HA  ))
      2.200     0.600     0.600 peak   164 spectrum    1 weight  0.10000E+01 volume  0.68666E-02 ppm1      8.854 ppm2      4.898 CV     1
 ASSI {  166}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 1    and name HA  ))
      2.100     0.600     0.600 peak   166 spectrum    1 weight  0.10000E+01 volume  0.67605E-02 ppm1      8.116 ppm2      4.614 CV     1
 ASSI {  167}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 24   and name HA  ))
      2.400     0.700     0.700 peak   167 spectrum    1 weight  0.10000E+01 volume  0.67079E-02 ppm1      8.399 ppm2      4.620 CV     1
 ASSI {  169}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 40   and name HA  ))
      2.300     0.600     0.600 peak   169 spectrum    1 weight  0.10000E+01 volume  0.66849E-02 ppm1      9.308 ppm2      4.547 CV     1
 ASSI {  170}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 107  and name HB2 ))
      3.200     1.300     1.300 peak   170 spectrum    1 weight  0.10000E+01 volume  0.66393E-02 ppm1      8.564 ppm2      3.074 CV     1
 OR {  170}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 107  and name HB1 ))
 ASSI {  175}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 23   and name HA  ))
      2.300     0.700     0.700 peak   175 spectrum    1 weight  0.10000E+01 volume  0.65083E-02 ppm1      9.240 ppm2      5.100 CV     1
 ASSI {  176}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 91   and name HA  ))
      2.200     0.600     0.600 peak   176 spectrum    1 weight  0.10000E+01 volume  0.64616E-02 ppm1      8.734 ppm2      4.747 CV     1
 ASSI {  177}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 78   and name HA  ))
      2.300     0.700     0.700 peak   177 spectrum    1 weight  0.10000E+01 volume  0.63508E-02 ppm1      8.053 ppm2      4.102 CV     1
 ASSI {  179}
   (( segid " 1SG" and resid 67   and name HN  ))
   (  segid " 1SG" and resid 66   and name HB% )
      2.800     1.000     1.000 peak   179 spectrum    1 weight  0.10000E+01 volume  0.63415E-02 ppm1      7.421 ppm2      1.408 CV     1
 ASSI {  180}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 3    and name HA  ))
      2.400     0.700     0.700 peak   180 spectrum    1 weight  0.10000E+01 volume  0.62827E-02 ppm1      8.264 ppm2      4.443 CV     1
 ASSI {  181}
   (( segid " 1SG" and resid 101  and name HD21))
   (( segid " 1SG" and resid 101  and name HD22))
      2.100     0.600     0.600 peak   181 spectrum    1 weight  0.10000E+01 volume  0.62654E-02 ppm1      7.438 ppm2      6.719 CV     1
 ASSI {  184}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 108  and name HA  ))
      2.500     0.800     0.800 peak   184 spectrum    1 weight  0.10000E+01 volume  0.61326E-02 ppm1      8.564 ppm2      4.141 CV     1
 ASSI {  186}
   (( segid " 1SG" and resid 30   and name HN  ))
   (( segid " 1SG" and resid 29   and name HA  ))
      2.200     0.600     0.600 peak   186 spectrum    1 weight  0.10000E+01 volume  0.60773E-02 ppm1      8.591 ppm2      4.384 CV     1
 ASSI {  189}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 77   and name HA  ))
      2.200     0.600     0.600 peak   189 spectrum    1 weight  0.10000E+01 volume  0.59549E-02 ppm1      8.053 ppm2      4.655 CV     1
 ASSI {  191}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 20   and name HA1 ))
      2.400     0.700     0.700 peak   191 spectrum    1 weight  0.10000E+01 volume  0.58614E-02 ppm1      8.825 ppm2      3.727 CV     1
 ASSI {  192}
   (( segid " 1SG" and resid 68   and name HN  ))
   (( segid " 1SG" and resid 68   and name HA  ))
      2.300     0.700     0.700 peak   192 spectrum    1 weight  0.10000E+01 volume  0.58326E-02 ppm1      7.877 ppm2      3.593 CV     1
 ASSI {  193}
   (( segid " 1SG" and resid 17   and name HN  ))
   (( segid " 1SG" and resid 17   and name HB  ))
      2.600     0.800     0.800 peak   193 spectrum    1 weight  0.10000E+01 volume  0.58170E-02 ppm1      7.899 ppm2      4.062 CV     1
 ASSI {  194}
   (( segid " 1SG" and resid 69   and name HN  ))
   (  segid " 1SG" and resid 69   and name HG2%)
      2.600     0.900     0.900 peak   194 spectrum    1 weight  0.10000E+01 volume  0.58084E-02 ppm1      6.899 ppm2      0.850 CV     1
 OR {  194}
   (( segid " 1SG" and resid 69   and name HN  ))
   (  segid " 1SG" and resid 69   and name HG1%)
 ASSI {  197}
   (( segid " 1SG" and resid 39   and name HN  ))
   (  segid " 1SG" and resid 38   and name HG2%)
      3.500     1.500     1.500 peak   197 spectrum    1 weight  0.10000E+01 volume  0.57481E-02 ppm1      7.892 ppm2      0.789 CV     1
 ASSI {  198}
   (( segid " 1SG" and resid 63   and name HN  ))
   (( segid " 1SG" and resid 62   and name HA  ))
      2.500     0.800     0.800 peak   198 spectrum    1 weight  0.10000E+01 volume  0.57020E-02 ppm1      8.517 ppm2      4.602 CV     1
 ASSI {  199}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 13   and name HA  ))
      2.700     0.900     0.900 peak   199 spectrum    1 weight  0.10000E+01 volume  0.56822E-02 ppm1      9.183 ppm2      5.338 CV     1
 ASSI {  200}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 72   and name HA  ))
      2.300     0.600     0.600 peak   200 spectrum    1 weight  0.10000E+01 volume  0.56546E-02 ppm1      9.450 ppm2      5.366 CV     1
 ASSI {  201}
   (( segid " 1SG" and resid 12   and name HN  ))
   (( segid " 1SG" and resid 11   and name HA  ))
      2.500     0.800     0.800 peak   201 spectrum    1 weight  0.10000E+01 volume  0.56496E-02 ppm1      8.345 ppm2      4.804 CV     1
 ASSI {  202}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 46   and name HZ2 ))
      2.700     0.900     0.900 peak   202 spectrum    1 weight  0.10000E+01 volume  0.56450E-02 ppm1     10.116 ppm2      7.380 CV     1
 ASSI {  203}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 52   and name HN  ))
      2.500     0.800     0.800 peak   203 spectrum    1 weight  0.10000E+01 volume  0.56183E-02 ppm1      6.764 ppm2      7.787 CV     1
 ASSI {  204}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 20   and name HA2 ))
      2.900     1.000     1.000 peak   204 spectrum    1 weight  0.10000E+01 volume  0.55959E-02 ppm1      8.825 ppm2      4.373 CV     1
 ASSI {  206}
   (( segid " 1SG" and resid 26   and name HN  ))
   (( segid " 1SG" and resid 25   and name HA  ))
      2.300     0.700     0.700 peak   206 spectrum    1 weight  0.10000E+01 volume  0.54900E-02 ppm1      9.497 ppm2      5.685 CV     1
 ASSI {  208}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 105  and name HA  ))
      2.400     0.700     0.700 peak   208 spectrum    1 weight  0.10000E+01 volume  0.54680E-02 ppm1      8.151 ppm2      4.533 CV     1
 ASSI {  211}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 14   and name HA1 ))
      3.000     1.100     1.100 peak   211 spectrum    1 weight  0.10000E+01 volume  0.54360E-02 ppm1      8.504 ppm2      3.743 CV     1
 ASSI {  212}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HB2 ))
      2.800     1.000     1.000 peak   212 spectrum    1 weight  0.10000E+01 volume  0.54311E-02 ppm1      8.305 ppm2      1.753 CV     1
 OR {  212}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HB1 ))
 ASSI {  216}
   (( segid " 1SG" and resid 12   and name HE22))
   (( segid " 1SG" and resid 12   and name HG2 ))
      3.200     1.300     1.300 peak   216 spectrum    1 weight  0.10000E+01 volume  0.53842E-02 ppm1      6.922 ppm2      2.472 CV     1
 OR {  216}
   (( segid " 1SG" and resid 12   and name HE22))
   (( segid " 1SG" and resid 12   and name HG1 ))
 ASSI {  217}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 76   and name HG12))
      3.400     3.400     2.600 peak   217 spectrum    1 weight  0.10000E+01 volume  0.53651E-02 ppm1      9.019 ppm2      1.097 CV     1
 ASSI {  219}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 67   and name HN  ))
      2.300     0.700     0.700 peak   219 spectrum    1 weight  0.10000E+01 volume  0.53406E-02 ppm1      8.106 ppm2      7.421 CV     1
 ASSI {  220}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 2    and name HB2 ))
      2.100     0.600     0.600 peak   220 spectrum    1 weight  0.10000E+01 volume  0.52808E-02 ppm1      8.116 ppm2      2.658 CV     1
 ASSI {  221}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 39   and name HB  ))
      2.600     0.800     0.800 peak   221 spectrum    1 weight  0.10000E+01 volume  0.51946E-02 ppm1      7.890 ppm2      0.582 CV     1
 ASSI {  222}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 35   and name HA  ))
      2.500     0.800     0.800 peak   222 spectrum    1 weight  0.10000E+01 volume  0.51556E-02 ppm1      7.511 ppm2      4.664 CV     1
 ASSI {  223}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 74   and name HA  ))
      2.300     0.700     0.700 peak   223 spectrum    1 weight  0.10000E+01 volume  0.51478E-02 ppm1      9.151 ppm2      4.330 CV     1
 ASSI {  228}
   (( segid " 1SG" and resid 15   and name HN  ))
   (  segid " 1SG" and resid 22   and name HD1%)
      3.100     1.200     1.200 peak   228 spectrum    1 weight  0.10000E+01 volume  0.50035E-02 ppm1      8.505 ppm2      0.527 CV     1
 ASSI {  229}
   (( segid " 1SG" and resid 85   and name HN  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      3.100     1.200     1.200 peak   229 spectrum    1 weight  0.10000E+01 volume  0.49884E-02 ppm1      9.407 ppm2      1.494 CV     1
 ASSI {  230}
   (( segid " 1SG" and resid 22   and name HN  ))
   (  segid " 1SG" and resid 22   and name HG2%)
      2.500     0.800     0.800 peak   230 spectrum    1 weight  0.10000E+01 volume  0.49598E-02 ppm1      8.888 ppm2      0.583 CV     1
 ASSI {  231}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 68   and name HN  ))
      2.200     0.600     0.600 peak   231 spectrum    1 weight  0.10000E+01 volume  0.49335E-02 ppm1      7.422 ppm2      7.877 CV     1
 ASSI {  232}
   (( segid " 1SG" and resid 38   and name HN  ))
   (  segid " 1SG" and resid 38   and name HG1%)
      3.300     1.400     1.400 peak   232 spectrum    1 weight  0.10000E+01 volume  0.49282E-02 ppm1      8.373 ppm2      0.842 CV     1
 ASSI {  235}
   (( segid " 1SG" and resid 18   and name HN  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      2.600     0.800     0.800 peak   235 spectrum    1 weight  0.10000E+01 volume  0.48590E-02 ppm1      8.004 ppm2      1.281 CV     1
 ASSI {  236}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 108  and name HG2 ))
      3.500     1.600     1.600 peak   236 spectrum    1 weight  0.10000E+01 volume  0.48503E-02 ppm1      8.564 ppm2      2.233 CV     1
 OR {  236}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 108  and name HG1 ))
 ASSI {  240}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 26   and name HA  ))
      2.500     0.800     0.800 peak   240 spectrum    1 weight  0.10000E+01 volume  0.47366E-02 ppm1      8.891 ppm2      4.916 CV     1
 ASSI {  243}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 47   and name HB  ))
      2.600     0.800     0.800 peak   243 spectrum    1 weight  0.10000E+01 volume  0.46815E-02 ppm1      7.291 ppm2      2.508 CV     1
 ASSI {  244}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 13   and name HB2 ))
      2.900     1.000     1.000 peak   244 spectrum    1 weight  0.10000E+01 volume  0.46743E-02 ppm1      8.312 ppm2      2.683 CV     1
 ASSI {  245}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      2.900     1.000     1.000 peak   245 spectrum    1 weight  0.10000E+01 volume  0.46459E-02 ppm1      7.198 ppm2      1.453 CV     1
 ASSI {  246}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 103  and name HA  ))
      2.400     0.700     0.700 peak   246 spectrum    1 weight  0.10000E+01 volume  0.46451E-02 ppm1      8.793 ppm2      5.542 CV     1
 ASSI {  247}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 98   and name HA  ))
      2.700     0.900     0.900 peak   247 spectrum    1 weight  0.10000E+01 volume  0.46439E-02 ppm1      9.228 ppm2      4.702 CV     1
 ASSI {  248}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 38   and name HB  ))
      2.700     0.900     0.900 peak   248 spectrum    1 weight  0.10000E+01 volume  0.46363E-02 ppm1      8.373 ppm2      1.890 CV     1
 ASSI {  250}
   (( segid " 1SG" and resid 70   and name HN  ))
   (( segid " 1SG" and resid 69   and name HA  ))
      2.400     0.700     0.700 peak   250 spectrum    1 weight  0.10000E+01 volume  0.45519E-02 ppm1      9.273 ppm2      4.579 CV     1
 ASSI {  251}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 84   and name HN  ))
      2.400     0.700     0.700 peak   251 spectrum    1 weight  0.10000E+01 volume  0.45441E-02 ppm1      8.255 ppm2      7.866 CV     1
 ASSI {  253}
   (( segid " 1SG" and resid 10   and name HN  ))
   (( segid " 1SG" and resid 9    and name HA  ))
      2.600     0.900     0.900 peak   253 spectrum    1 weight  0.10000E+01 volume  0.44927E-02 ppm1      8.853 ppm2      4.646 CV     1
 ASSI {  256}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 102  and name HA  ))
      2.500     0.800     0.800 peak   256 spectrum    1 weight  0.10000E+01 volume  0.44604E-02 ppm1      9.243 ppm2      4.989 CV     1
 ASSI {  259}
   (( segid " 1SG" and resid 23   and name HN  ))
   (( segid " 1SG" and resid 23   and name HB  ))
      2.600     0.800     0.800 peak   259 spectrum    1 weight  0.10000E+01 volume  0.43630E-02 ppm1      7.914 ppm2      3.583 CV     1
 ASSI {  265}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 35   and name HG1 ))
      2.500     0.800     0.800 peak   265 spectrum    1 weight  0.10000E+01 volume  0.42251E-02 ppm1      7.511 ppm2      1.348 CV     1
 OR {  265}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 35   and name HG2 ))
 ASSI {  266}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 79   and name HA  ))
      2.700     0.900     0.900 peak   266 spectrum    1 weight  0.10000E+01 volume  0.41746E-02 ppm1      8.973 ppm2      3.661 CV     1
 ASSI {  267}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HG1 ))
      2.600     0.900     0.900 peak   267 spectrum    1 weight  0.10000E+01 volume  0.41607E-02 ppm1      8.306 ppm2      1.685 CV     1
 OR {  267}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HG2 ))
 ASSI {  268}
   (( segid " 1SG" and resid 72   and name HN  ))
   (( segid " 1SG" and resid 71   and name HA  ))
      2.200     0.600     0.600 peak   268 spectrum    1 weight  0.10000E+01 volume  0.41451E-02 ppm1      9.295 ppm2      5.062 CV     1
 ASSI {  269}
   (( segid " 1SG" and resid 17   and name HN  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      3.300     1.400     1.400 peak   269 spectrum    1 weight  0.10000E+01 volume  0.41382E-02 ppm1      7.900 ppm2      1.280 CV     1
 ASSI {  270}
   (( segid " 1SG" and resid 29   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG2%)
      2.500     0.800     0.800 peak   270 spectrum    1 weight  0.10000E+01 volume  0.41248E-02 ppm1      8.855 ppm2      0.945 CV     1
 OR {  270}
   (( segid " 1SG" and resid 29   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG1%)
 ASSI {  271}
   (( segid " 1SG" and resid 94   and name HN  ))
   (( segid " 1SG" and resid 93   and name HA  ))
      2.600     0.800     0.800 peak   271 spectrum    1 weight  0.10000E+01 volume  0.41199E-02 ppm1      8.339 ppm2      4.764 CV     1
 ASSI {  272}
   (( segid " 1SG" and resid 93   and name HN  ))
   (( segid " 1SG" and resid 92   and name HB2 ))
      3.500     1.500     1.500 peak   272 spectrum    1 weight  0.10000E+01 volume  0.41064E-02 ppm1      8.558 ppm2      3.937 CV     1
 OR {  272}
   (( segid " 1SG" and resid 93   and name HN  ))
   (( segid " 1SG" and resid 92   and name HB1 ))
 ASSI {  273}
   (( segid " 1SG" and resid 77   and name HN  ))
   (  segid " 1SG" and resid 76   and name HG2%)
      3.000     1.100     1.100 peak   273 spectrum    1 weight  0.10000E+01 volume  0.40197E-02 ppm1      8.717 ppm2      0.785 CV     1
 ASSI {  274}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 95   and name HN  ))
      1.800     0.400     0.400 peak   274 spectrum    1 weight  0.10000E+01 volume  0.40017E-02 ppm1      7.549 ppm2      7.973 CV     1
 ASSI {  275}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB1 ))
      2.400     0.700     0.700 peak   275 spectrum    1 weight  0.10000E+01 volume  0.39880E-02 ppm1      8.381 ppm2      1.692 CV     1
 OR {  275}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB2 ))
 ASSI {  276}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 96   and name HB2 ))
      3.500     1.500     1.500 peak   276 spectrum    1 weight  0.10000E+01 volume  0.39616E-02 ppm1      8.263 ppm2      1.571 CV     1
 ASSI {  278}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 5    and name HN  ))
      2.400     0.700     0.700 peak   278 spectrum    1 weight  0.10000E+01 volume  0.39435E-02 ppm1      8.263 ppm2      8.143 CV     1
 ASSI {  279}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 68   and name HN  ))
      2.600     0.900     0.900 peak   279 spectrum    1 weight  0.10000E+01 volume  0.39325E-02 ppm1      6.899 ppm2      7.876 CV     1
 ASSI {  281}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 104  and name HA  ))
      2.500     0.800     0.800 peak   281 spectrum    1 weight  0.10000E+01 volume  0.39227E-02 ppm1      8.399 ppm2      5.431 CV     1
 ASSI {  285}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 4    and name HA  ))
      2.600     0.900     0.900 peak   285 spectrum    1 weight  0.10000E+01 volume  0.38949E-02 ppm1      8.264 ppm2      4.015 CV     1
 ASSI {  287}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 78   and name HN  ))
      2.600     0.900     0.900 peak   287 spectrum    1 weight  0.10000E+01 volume  0.38252E-02 ppm1      8.974 ppm2      8.055 CV     1
 ASSI {  288}
   (( segid " 1SG" and resid 86   and name HN  ))
   (( segid " 1SG" and resid 85   and name HA2 ))
      2.400     0.700     0.700 peak   288 spectrum    1 weight  0.10000E+01 volume  0.38213E-02 ppm1      7.948 ppm2      4.508 CV     1
 ASSI {  290}
   (( segid " 1SG" and resid 48   and name HN  ))
   (( segid " 1SG" and resid 48   and name HB2 ))
      2.700     0.900     0.900 peak   290 spectrum    1 weight  0.10000E+01 volume  0.37900E-02 ppm1      8.397 ppm2      2.936 CV     1
 ASSI {  294}
   (( segid " 1SG" and resid 98   and name HN  ))
   (( segid " 1SG" and resid 97   and name HA  ))
      2.600     0.900     0.900 peak   294 spectrum    1 weight  0.10000E+01 volume  0.37374E-02 ppm1      8.417 ppm2      5.247 CV     1
 ASSI {  295}
   (( segid " 1SG" and resid 86   and name HN  ))
   (( segid " 1SG" and resid 85   and name HA1 ))
      2.900     1.100     1.100 peak   295 spectrum    1 weight  0.10000E+01 volume  0.37365E-02 ppm1      7.948 ppm2      3.928 CV     1
 ASSI {  297}
   (( segid " 1SG" and resid 19   and name HN  ))
   (( segid " 1SG" and resid 19   and name HA1 ))
      3.000     1.100     1.100 peak   297 spectrum    1 weight  0.10000E+01 volume  0.36934E-02 ppm1      9.829 ppm2      4.250 CV     1
 ASSI {  298}
   (( segid " 1SG" and resid 19   and name HN  ))
   (  segid " 1SG" and resid 18   and name HG1%)
      3.100     1.200     1.200 peak   298 spectrum    1 weight  0.10000E+01 volume  0.36926E-02 ppm1      9.828 ppm2      0.981 CV     1
 ASSI {  300}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 27   and name HA  ))
      2.400     0.700     0.700 peak   300 spectrum    1 weight  0.10000E+01 volume  0.36355E-02 ppm1      9.673 ppm2      5.831 CV     1
 ASSI {  302}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 53   and name HA  ))
      2.300     0.700     0.700 peak   302 spectrum    1 weight  0.10000E+01 volume  0.36327E-02 ppm1      6.765 ppm2      4.049 CV     1
 ASSI {  303}
   (( segid " 1SG" and resid 84   and name HN  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      3.500     1.500     1.500 peak   303 spectrum    1 weight  0.10000E+01 volume  0.36168E-02 ppm1      7.866 ppm2      1.494 CV     1
 ASSI {  305}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 51   and name HN  ))
      2.500     0.800     0.800 peak   305 spectrum    1 weight  0.10000E+01 volume  0.36002E-02 ppm1      7.784 ppm2      7.881 CV     1
 ASSI {  306}
   (( segid " 1SG" and resid 24   and name HN  ))
   (  segid " 1SG" and resid 23   and name HG2%)
      2.900     1.000     1.000 peak   306 spectrum    1 weight  0.10000E+01 volume  0.35873E-02 ppm1      9.240 ppm2      0.769 CV     1
 ASSI {  307}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 34   and name HA  ))
      2.900     1.100     1.100 peak   307 spectrum    1 weight  0.10000E+01 volume  0.35784E-02 ppm1      7.511 ppm2      4.289 CV     1
 ASSI {  308}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 2    and name HA  ))
      2.700     0.900     0.900 peak   308 spectrum    1 weight  0.10000E+01 volume  0.35761E-02 ppm1      8.115 ppm2      4.899 CV     1
 ASSI {  309}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 68   and name HA  ))
      2.700     0.900     0.900 peak   309 spectrum    1 weight  0.10000E+01 volume  0.35755E-02 ppm1      6.899 ppm2      3.593 CV     1
 ASSI {  310}
   (( segid " 1SG" and resid 90   and name HN  ))
   (( segid " 1SG" and resid 89   and name HA  ))
      2.600     0.900     0.900 peak   310 spectrum    1 weight  0.10000E+01 volume  0.35679E-02 ppm1      9.489 ppm2      4.946 CV     1
 ASSI {  311}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (  segid " 1SG" and resid 39   and name HG1%)
      2.800     1.000     1.000 peak   311 spectrum    1 weight  0.10000E+01 volume  0.35676E-02 ppm1     10.780 ppm2     -0.081 CV     1
 ASSI {  312}
   (( segid " 1SG" and resid 93   and name HN  ))
   (( segid " 1SG" and resid 93   and name HA  ))
      2.700     0.900     0.900 peak   312 spectrum    1 weight  0.10000E+01 volume  0.35515E-02 ppm1      8.558 ppm2      4.778 CV     1
 ASSI {  314}
   (( segid " 1SG" and resid 72   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD1%)
      2.700     0.900     0.900 peak   314 spectrum    1 weight  0.10000E+01 volume  0.35224E-02 ppm1      9.295 ppm2      0.842 CV     1
 ASSI {  315}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 67   and name HA  ))
      2.800     1.000     1.000 peak   315 spectrum    1 weight  0.10000E+01 volume  0.34804E-02 ppm1      7.421 ppm2      4.297 CV     1
 ASSI {  316}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 83   and name HA  ))
      2.600     0.900     0.900 peak   316 spectrum    1 weight  0.10000E+01 volume  0.34712E-02 ppm1      8.255 ppm2      4.603 CV     1
 ASSI {  318}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      3.400     1.500     1.500 peak   318 spectrum    1 weight  0.10000E+01 volume  0.34484E-02 ppm1      8.940 ppm2      1.448 CV     1
 ASSI {  319}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 48   and name HA  ))
      2.500     0.800     0.800 peak   319 spectrum    1 weight  0.10000E+01 volume  0.34465E-02 ppm1      9.288 ppm2      4.192 CV     1
 ASSI {  320}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 58   and name HB2 ))
      3.400     1.400     1.400 peak   320 spectrum    1 weight  0.10000E+01 volume  0.34442E-02 ppm1      7.438 ppm2      2.396 CV     1
 OR {  320}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 58   and name HB1 ))
 ASSI {  321}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 73   and name HA  ))
      2.400     0.700     0.700 peak   321 spectrum    1 weight  0.10000E+01 volume  0.34438E-02 ppm1      8.470 ppm2      5.470 CV     1
 ASSI {  322}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 52   and name HA  ))
      2.800     1.000     1.000 peak   322 spectrum    1 weight  0.10000E+01 volume  0.34429E-02 ppm1      7.785 ppm2      4.613 CV     1
 ASSI {  323}
   (( segid " 1SG" and resid 40   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG1%)
      2.900     1.100     1.100 peak   323 spectrum    1 weight  0.10000E+01 volume  0.33999E-02 ppm1      8.694 ppm2     -0.080 CV     1
 ASSI {  324}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 43   and name HA  ))
      2.500     0.800     0.800 peak   324 spectrum    1 weight  0.10000E+01 volume  0.33981E-02 ppm1      8.211 ppm2      4.128 CV     1
 ASSI {  326}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 83   and name HB2 ))
      2.400     0.700     0.700 peak   326 spectrum    1 weight  0.10000E+01 volume  0.33667E-02 ppm1      8.255 ppm2      3.172 CV     1
 ASSI {  327}
   (( segid " 1SG" and resid 75   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD2%)
      3.700     1.700     1.700 peak   327 spectrum    1 weight  0.10000E+01 volume  0.33488E-02 ppm1      9.151 ppm2      0.400 CV     1
 OR {  327}
   (( segid " 1SG" and resid 75   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI {  328}
   (( segid " 1SG" and resid 107  and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      2.900     1.100     1.100 peak   328 spectrum    1 weight  0.10000E+01 volume  0.33464E-02 ppm1      8.822 ppm2      0.372 CV     1
 ASSI {  329}
   (( segid " 1SG" and resid 64   and name HN  ))
   (( segid " 1SG" and resid 64   and name HB2 ))
      2.900     1.100     1.100 peak   329 spectrum    1 weight  0.10000E+01 volume  0.33461E-02 ppm1      7.752 ppm2      2.335 CV     1
 ASSI {  330}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 5    and name HA1 ))
      3.400     1.400     1.400 peak   330 spectrum    1 weight  0.10000E+01 volume  0.33369E-02 ppm1      8.264 ppm2      3.842 CV     1
 OR {  330}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 5    and name HA2 ))
 ASSI {  332}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 75   and name HB2 ))
      2.700     0.900     0.900 peak   332 spectrum    1 weight  0.10000E+01 volume  0.32930E-02 ppm1      9.150 ppm2      2.889 CV     1
 OR {  332}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 75   and name HB1 ))
 ASSI {  333}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 15   and name HB1 ))
      2.900     1.000     1.000 peak   333 spectrum    1 weight  0.10000E+01 volume  0.32881E-02 ppm1      8.504 ppm2      2.013 CV     1
 OR {  333}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 15   and name HB2 ))
 ASSI {  335}
   (( segid " 1SG" and resid 5    and name HN  ))
   (( segid " 1SG" and resid 5    and name HA1 ))
      2.700     0.900     0.900 peak   335 spectrum    1 weight  0.10000E+01 volume  0.32478E-02 ppm1      8.144 ppm2      3.857 CV     1
 OR {  335}
   (( segid " 1SG" and resid 5    and name HN  ))
   (( segid " 1SG" and resid 5    and name HA2 ))
 ASSI {  336}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (  segid " 1SG" and resid 59   and name HD2%)
      2.900     1.000     1.000 peak   336 spectrum    1 weight  0.10000E+01 volume  0.32416E-02 ppm1     10.780 ppm2      0.692 CV     1
 ASSI {  339}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 19   and name HN  ))
      2.600     0.800     0.800 peak   339 spectrum    1 weight  0.10000E+01 volume  0.32165E-02 ppm1      8.825 ppm2      9.828 CV     1
 ASSI {  340}
   (( segid " 1SG" and resid 80   and name HE21))
   (( segid " 1SG" and resid 80   and name HG2 ))
      2.700     0.900     0.900 peak   340 spectrum    1 weight  0.10000E+01 volume  0.32115E-02 ppm1      6.984 ppm2      2.164 CV     1
 OR {  340}
   (( segid " 1SG" and resid 80   and name HE21))
   (( segid " 1SG" and resid 80   and name HG1 ))
 ASSI {  342}
   (( segid " 1SG" and resid 18   and name HN  ))
   (( segid " 1SG" and resid 17   and name HB  ))
      3.100     1.200     1.200 peak   342 spectrum    1 weight  0.10000E+01 volume  0.32031E-02 ppm1      8.006 ppm2      4.061 CV     1
 ASSI {  344}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 107  and name HB1 ))
      2.800     1.000     1.000 peak   344 spectrum    1 weight  0.10000E+01 volume  0.31926E-02 ppm1      8.825 ppm2      3.076 CV     1
 OR {  344}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 107  and name HB2 ))
 ASSI {  346}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HA  ))
      2.800     1.000     1.000 peak   346 spectrum    1 weight  0.10000E+01 volume  0.31785E-02 ppm1      8.305 ppm2      3.450 CV     1
 ASSI {  348}
   (( segid " 1SG" and resid 21   and name HN  ))
   (( segid " 1SG" and resid 20   and name HN  ))
      3.600     1.600     1.600 peak   348 spectrum    1 weight  0.10000E+01 volume  0.31562E-02 ppm1      8.168 ppm2      8.828 CV     1
 ASSI {  350}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 42   and name HA  ))
      2.600     0.900     0.900 peak   350 spectrum    1 weight  0.10000E+01 volume  0.31401E-02 ppm1      8.632 ppm2      5.786 CV     1
 ASSI {  351}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 54   and name HN  ))
      2.700     0.900     0.900 peak   351 spectrum    1 weight  0.10000E+01 volume  0.31222E-02 ppm1      7.198 ppm2      9.022 CV     1
 ASSI {  352}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 15   and name HB2 ))
      3.300     1.400     1.400 peak   352 spectrum    1 weight  0.10000E+01 volume  0.31210E-02 ppm1      8.593 ppm2      2.019 CV     1
 OR {  352}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 15   and name HB1 ))
 ASSI {  353}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 4    and name HG12))
      3.600     1.600     1.600 peak   353 spectrum    1 weight  0.10000E+01 volume  0.31210E-02 ppm1      8.263 ppm2      1.225 CV     1
 ASSI {  354}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 16   and name HA  ))
      2.800     1.000     1.000 peak   354 spectrum    1 weight  0.10000E+01 volume  0.31178E-02 ppm1      8.593 ppm2      4.581 CV     1
 ASSI {  355}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 52   and name HA  ))
      3.100     1.200     1.200 peak   355 spectrum    1 weight  0.10000E+01 volume  0.31160E-02 ppm1      6.764 ppm2      4.611 CV     1
 ASSI {  356}
   (( segid " 1SG" and resid 48   and name HN  ))
   (  segid " 1SG" and resid 47   and name HG2%)
      3.400     1.500     1.500 peak   356 spectrum    1 weight  0.10000E+01 volume  0.31083E-02 ppm1      8.397 ppm2      0.779 CV     1
 ASSI {  357}
   (( segid " 1SG" and resid 23   and name HN  ))
   (( segid " 1SG" and resid 22   and name HG12))
      3.700     1.700     1.700 peak   357 spectrum    1 weight  0.10000E+01 volume  0.31057E-02 ppm1      7.913 ppm2      0.071 CV     1
 ASSI {  358}
   (( segid " 1SG" and resid 39   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG2%)
      2.700     0.900     0.900 peak   358 spectrum    1 weight  0.10000E+01 volume  0.31046E-02 ppm1      7.891 ppm2     -0.459 CV     1
 ASSI {  362}
   (( segid " 1SG" and resid 18   and name HN  ))
   (( segid " 1SG" and resid 18   and name HA  ))
      2.600     0.900     0.900 peak   362 spectrum    1 weight  0.10000E+01 volume  0.30647E-02 ppm1      8.005 ppm2      3.479 CV     1
 ASSI {  363}
   (( segid " 1SG" and resid 47   and name HN  ))
   (  segid " 1SG" and resid 47   and name HG2%)
      2.700     0.900     0.900 peak   363 spectrum    1 weight  0.10000E+01 volume  0.30409E-02 ppm1      7.291 ppm2      0.780 CV     1
 ASSI {  364}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 65   and name HN  ))
      2.600     0.900     0.900 peak   364 spectrum    1 weight  0.10000E+01 volume  0.30353E-02 ppm1      8.106 ppm2      8.306 CV     1
 ASSI {  367}
   (( segid " 1SG" and resid 17   and name HN  ))
   (( segid " 1SG" and resid 16   and name HB  ))
      2.800     1.000     1.000 peak   367 spectrum    1 weight  0.10000E+01 volume  0.30206E-02 ppm1      7.901 ppm2      1.791 CV     1
 ASSI {  368}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 67   and name HB1 ))
      2.900     1.100     1.100 peak   368 spectrum    1 weight  0.10000E+01 volume  0.30177E-02 ppm1      7.421 ppm2      3.728 CV     1
 OR {  368}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 67   and name HB2 ))
 ASSI {  370}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 61   and name HB2 ))
      3.300     1.300     1.300 peak   370 spectrum    1 weight  0.10000E+01 volume  0.30097E-02 ppm1      8.849 ppm2      2.303 CV     1
 ASSI {  371}
   (( segid " 1SG" and resid 92   and name HN  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      2.600     0.900     0.900 peak   371 spectrum    1 weight  0.10000E+01 volume  0.30057E-02 ppm1      8.734 ppm2      0.173 CV     1
 ASSI {  372}
   (( segid " 1SG" and resid 64   and name HN  ))
   (( segid " 1SG" and resid 64   and name HA  ))
      2.800     1.000     1.000 peak   372 spectrum    1 weight  0.10000E+01 volume  0.30022E-02 ppm1      7.752 ppm2      4.579 CV     1
 ASSI {  373}
   (( segid " 1SG" and resid 64   and name HN  ))
   (  segid " 1SG" and resid 63   and name HD% )
      3.200     1.300     1.300 peak   373 spectrum    1 weight  0.10000E+01 volume  0.29910E-02 ppm1      7.752 ppm2      5.902 CV     1
 ASSI {  374}
   (( segid " 1SG" and resid 77   and name HN  ))
   (  segid " 1SG" and resid 77   and name HG2%)
      2.800     1.000     1.000 peak   374 spectrum    1 weight  0.10000E+01 volume  0.29776E-02 ppm1      8.717 ppm2      1.030 CV     1
 ASSI {  376}
   (( segid " 1SG" and resid 42   and name HN  ))
   (( segid " 1SG" and resid 41   and name HA  ))
      2.600     0.900     0.900 peak   376 spectrum    1 weight  0.10000E+01 volume  0.29694E-02 ppm1      9.447 ppm2      5.468 CV     1
 ASSI {  378}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 12   and name HB2 ))
      3.200     1.300     1.300 peak   378 spectrum    1 weight  0.10000E+01 volume  0.29603E-02 ppm1      8.312 ppm2      1.966 CV     1
 ASSI {  379}
   (( segid " 1SG" and resid 58   and name HE22))
   (( segid " 1SG" and resid 58   and name HB2 ))
      3.700     1.700     1.700 peak   379 spectrum    1 weight  0.10000E+01 volume  0.29530E-02 ppm1      6.684 ppm2      2.396 CV     1
 OR {  379}
   (( segid " 1SG" and resid 58   and name HE22))
   (( segid " 1SG" and resid 58   and name HB1 ))
 ASSI {  382}
   (( segid " 1SG" and resid 76   and name HN  ))
   (( segid " 1SG" and resid 76   and name HB  ))
      2.600     0.900     0.900 peak   382 spectrum    1 weight  0.10000E+01 volume  0.29331E-02 ppm1      8.925 ppm2      1.902 CV     1
 ASSI {  383}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 12   and name HG2 ))
      3.900     1.900     1.900 peak   383 spectrum    1 weight  0.10000E+01 volume  0.29298E-02 ppm1      8.312 ppm2      2.471 CV     1
 OR {  383}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 12   and name HG1 ))
 ASSI {  384}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 96   and name HG1 ))
      3.200     1.300     1.300 peak   384 spectrum    1 weight  0.10000E+01 volume  0.29268E-02 ppm1      7.548 ppm2      1.318 CV     1
 OR {  384}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 96   and name HG2 ))
 ASSI {  388}
   (( segid " 1SG" and resid 106  and name HN  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      3.600     1.600     1.600 peak   388 spectrum    1 weight  0.10000E+01 volume  0.28973E-02 ppm1      8.150 ppm2      1.495 CV     1
 ASSI {  389}
   (( segid " 1SG" and resid 26   and name HN  ))
   (  segid " 1SG" and resid 26   and name HB% )
      2.800     1.000     1.000 peak   389 spectrum    1 weight  0.10000E+01 volume  0.28943E-02 ppm1      9.497 ppm2      1.455 CV     1
 ASSI {  390}
   (( segid " 1SG" and resid 20   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      3.200     1.300     1.300 peak   390 spectrum    1 weight  0.10000E+01 volume  0.28908E-02 ppm1      8.825 ppm2      1.174 CV     1
 ASSI {  391}
   (( segid " 1SG" and resid 21   and name HN  ))
   (( segid " 1SG" and resid 21   and name HA  ))
      2.600     0.800     0.800 peak   391 spectrum    1 weight  0.10000E+01 volume  0.28866E-02 ppm1      8.169 ppm2      5.493 CV     1
 ASSI {  392}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 59   and name HG  ))
      3.500     1.600     1.600 peak   392 spectrum    1 weight  0.10000E+01 volume  0.28835E-02 ppm1      8.382 ppm2      1.425 CV     1
 ASSI {  393}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 57   and name HA  ))
      2.600     0.900     0.900 peak   393 spectrum    1 weight  0.10000E+01 volume  0.28835E-02 ppm1      7.198 ppm2      5.399 CV     1
 ASSI {  395}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 107  and name HA  ))
      2.800     1.000     1.000 peak   395 spectrum    1 weight  0.10000E+01 volume  0.28741E-02 ppm1      8.825 ppm2      4.841 CV     1
 ASSI {  396}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 53   and name HB  ))
      3.600     1.600     1.600 peak   396 spectrum    1 weight  0.10000E+01 volume  0.28653E-02 ppm1      9.019 ppm2      2.127 CV     1
 ASSI {  398}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 13   and name HA  ))
      2.800     1.000     1.000 peak   398 spectrum    1 weight  0.10000E+01 volume  0.28615E-02 ppm1      8.312 ppm2      5.337 CV     1
 ASSI {  399}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 44   and name HA1 ))
      2.700     0.900     0.900 peak   399 spectrum    1 weight  0.10000E+01 volume  0.28485E-02 ppm1      8.211 ppm2      3.463 CV     1
 ASSI {  400}
   (( segid " 1SG" and resid 70   and name HN  ))
   (  segid " 1SG" and resid 70   and name HD% )
      2.800     1.000     1.000 peak   400 spectrum    1 weight  0.10000E+01 volume  0.28439E-02 ppm1      9.270 ppm2      7.060 CV     1
 ASSI {  401}
   (( segid " 1SG" and resid 12   and name HN  ))
   (( segid " 1SG" and resid 12   and name HG2 ))
      2.900     1.100     1.100 peak   401 spectrum    1 weight  0.10000E+01 volume  0.28337E-02 ppm1      8.346 ppm2      2.468 CV     1
 OR {  401}
   (( segid " 1SG" and resid 12   and name HN  ))
   (( segid " 1SG" and resid 12   and name HG1 ))
 ASSI {  403}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB1 ))
      3.400     1.500     1.500 peak   403 spectrum    1 weight  0.10000E+01 volume  0.28175E-02 ppm1      8.686 ppm2      1.687 CV     1
 OR {  403}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB2 ))
 ASSI {  404}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 62   and name HA  ))
      2.800     1.000     1.000 peak   404 spectrum    1 weight  0.10000E+01 volume  0.28162E-02 ppm1      8.849 ppm2      4.602 CV     1
 ASSI {  407}
   (( segid " 1SG" and resid 60   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD2%)
      3.000     1.100     1.100 peak   407 spectrum    1 weight  0.10000E+01 volume  0.27967E-02 ppm1      8.689 ppm2      0.691 CV     1
 ASSI {  408}
   (( segid " 1SG" and resid 106  and name HN  ))
   (  segid " 1SG" and resid 106  and name HG1%)
      2.600     0.900     0.900 peak   408 spectrum    1 weight  0.10000E+01 volume  0.27823E-02 ppm1      8.151 ppm2      0.679 CV     1
 ASSI {  409}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 41   and name HD1 ))
      2.800     1.000     1.000 peak   409 spectrum    1 weight  0.10000E+01 volume  0.27696E-02 ppm1      9.308 ppm2      7.130 CV     1
 ASSI {  411}
   (( segid " 1SG" and resid 51   and name HN  ))
   (( segid " 1SG" and resid 51   and name HA  ))
      3.000     1.100     1.100 peak   411 spectrum    1 weight  0.10000E+01 volume  0.27216E-02 ppm1      7.877 ppm2      4.560 CV     1
 ASSI {  413}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 15   and name HG1 ))
      3.200     1.300     1.300 peak   413 spectrum    1 weight  0.10000E+01 volume  0.27121E-02 ppm1      8.506 ppm2      2.277 CV     1
 OR {  413}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 15   and name HG2 ))
 ASSI {  415}
   (( segid " 1SG" and resid 17   and name HN  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      3.000     1.100     1.100 peak   415 spectrum    1 weight  0.10000E+01 volume  0.27116E-02 ppm1      7.900 ppm2      0.602 CV     1
 ASSI {  416}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 15   and name HA  ))
      2.800     1.000     1.000 peak   416 spectrum    1 weight  0.10000E+01 volume  0.27042E-02 ppm1      8.504 ppm2      5.491 CV     1
 ASSI {  417}
   (( segid " 1SG" and resid 103  and name HD21))
   (( segid " 1SG" and resid 103  and name HB2 ))
      2.800     0.900     0.900 peak   417 spectrum    1 weight  0.10000E+01 volume  0.27010E-02 ppm1      7.721 ppm2      2.502 CV     1
 ASSI {  421}
   (( segid " 1SG" and resid 80   and name HE22))
   (( segid " 1SG" and resid 80   and name HG2 ))
      3.700     1.700     1.700 peak   421 spectrum    1 weight  0.10000E+01 volume  0.26896E-02 ppm1      6.645 ppm2      2.164 CV     1
 OR {  421}
   (( segid " 1SG" and resid 80   and name HE22))
   (( segid " 1SG" and resid 80   and name HG1 ))
 ASSI {  422}
   (( segid " 1SG" and resid 100  and name HN  ))
   (( segid " 1SG" and resid 99   and name HA  ))
      2.800     1.000     1.000 peak   422 spectrum    1 weight  0.10000E+01 volume  0.26772E-02 ppm1      8.896 ppm2      5.700 CV     1
 ASSI {  424}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 38   and name HA  ))
      2.800     1.000     1.000 peak   424 spectrum    1 weight  0.10000E+01 volume  0.26637E-02 ppm1      8.372 ppm2      3.897 CV     1
 ASSI {  425}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 53   and name HB  ))
      3.000     1.100     1.100 peak   425 spectrum    1 weight  0.10000E+01 volume  0.26550E-02 ppm1      7.785 ppm2      2.145 CV     1
 ASSI {  426}
   (( segid " 1SG" and resid 78   and name HN  ))
   (  segid " 1SG" and resid 77   and name HG2%)
      3.900     1.900     1.900 peak   426 spectrum    1 weight  0.10000E+01 volume  0.26546E-02 ppm1      8.054 ppm2      1.025 CV     1
 ASSI {  427}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 103  and name HB2 ))
      2.900     1.100     1.100 peak   427 spectrum    1 weight  0.10000E+01 volume  0.26532E-02 ppm1      9.242 ppm2      2.501 CV     1
 ASSI {  430}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 50   and name HA  ))
      3.000     1.100     1.100 peak   430 spectrum    1 weight  0.10000E+01 volume  0.26234E-02 ppm1      8.940 ppm2      3.956 CV     1
 ASSI {  431}
   (( segid " 1SG" and resid 23   and name HN  ))
   (  segid " 1SG" and resid 22   and name HD1%)
      2.800     1.000     1.000 peak   431 spectrum    1 weight  0.10000E+01 volume  0.26203E-02 ppm1      7.912 ppm2      0.534 CV     1
 ASSI {  432}
   (( segid " 1SG" and resid 30   and name HN  ))
   (( segid " 1SG" and resid 69   and name HA  ))
      2.700     0.900     0.900 peak   432 spectrum    1 weight  0.10000E+01 volume  0.26128E-02 ppm1      8.591 ppm2      4.580 CV     1
 ASSI {  434}
   (( segid " 1SG" and resid 61   and name HN  ))
   (( segid " 1SG" and resid 61   and name HA  ))
      2.800     1.000     1.000 peak   434 spectrum    1 weight  0.10000E+01 volume  0.26009E-02 ppm1      8.180 ppm2      5.560 CV     1
 ASSI {  435}
   (( segid " 1SG" and resid 87   and name HN  ))
   (( segid " 1SG" and resid 86   and name HA2 ))
      2.500     0.800     0.800 peak   435 spectrum    1 weight  0.10000E+01 volume  0.25945E-02 ppm1      9.112 ppm2      4.658 CV     1
 ASSI {  437}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 13   and name HA  ))
      2.800     1.000     1.000 peak   437 spectrum    1 weight  0.10000E+01 volume  0.25885E-02 ppm1      9.242 ppm2      5.338 CV     1
 ASSI {  439}
   (( segid " 1SG" and resid 8    and name HN  ))
   (( segid " 1SG" and resid 7    and name HA  ))
      2.600     0.900     0.900 peak   439 spectrum    1 weight  0.10000E+01 volume  0.25831E-02 ppm1      9.052 ppm2      4.631 CV     1
 ASSI {  440}
   (( segid " 1SG" and resid 86   and name HN  ))
   (( segid " 1SG" and resid 86   and name HA2 ))
      3.000     1.100     1.100 peak   440 spectrum    1 weight  0.10000E+01 volume  0.25828E-02 ppm1      7.947 ppm2      4.658 CV     1
 ASSI {  443}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 77   and name HB  ))
      2.800     1.000     1.000 peak   443 spectrum    1 weight  0.10000E+01 volume  0.25529E-02 ppm1      8.053 ppm2      4.009 CV     1
 ASSI {  446}
   (( segid " 1SG" and resid 101  and name HN  ))
   (( segid " 1SG" and resid 100  and name HA  ))
      2.800     1.000     1.000 peak   446 spectrum    1 weight  0.10000E+01 volume  0.25148E-02 ppm1      9.045 ppm2      4.660 CV     1
 ASSI {  448}
   (( segid " 1SG" and resid 63   and name HN  ))
   (( segid " 1SG" and resid 62   and name HB2 ))
      3.500     1.600     1.600 peak   448 spectrum    1 weight  0.10000E+01 volume  0.25138E-02 ppm1      8.516 ppm2      3.810 CV     1
 ASSI {  449}
   (( segid " 1SG" and resid 8    and name HN  ))
   (  segid " 1SG" and resid 8    and name HG2%)
      2.700     0.900     0.900 peak   449 spectrum    1 weight  0.10000E+01 volume  0.25136E-02 ppm1      9.052 ppm2      0.947 CV     1
 OR {  449}
   (( segid " 1SG" and resid 8    and name HN  ))
   (  segid " 1SG" and resid 8    and name HG1%)
 ASSI {  450}
   (( segid " 1SG" and resid 9    and name HN  ))
   (  segid " 1SG" and resid 8    and name HG2%)
      3.600     1.600     1.600 peak   450 spectrum    1 weight  0.10000E+01 volume  0.24981E-02 ppm1      7.890 ppm2      0.950 CV     1
 OR {  450}
   (( segid " 1SG" and resid 9    and name HN  ))
   (  segid " 1SG" and resid 8    and name HG1%)
 ASSI {  453}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 52   and name HB2 ))
      2.500     0.800     0.800 peak   453 spectrum    1 weight  0.10000E+01 volume  0.24745E-02 ppm1      7.785 ppm2      1.718 CV     1
 ASSI {  454}
   (( segid " 1SG" and resid 39   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG1%)
      3.800     1.800     1.800 peak   454 spectrum    1 weight  0.10000E+01 volume  0.24700E-02 ppm1      7.892 ppm2     -0.081 CV     1
 ASSI {  456}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 37   and name HB2 ))
      3.200     1.300     1.300 peak   456 spectrum    1 weight  0.10000E+01 volume  0.24548E-02 ppm1      8.373 ppm2      1.365 CV     1
 OR {  456}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 37   and name HG2 ))
 ASSI {  458}
   (( segid " 1SG" and resid 48   and name HN  ))
   (  segid " 1SG" and resid 47   and name HG1%)
      3.200     1.300     1.300 peak   458 spectrum    1 weight  0.10000E+01 volume  0.24408E-02 ppm1      8.397 ppm2      0.978 CV     1
 ASSI {  460}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 54   and name HA1 ))
      2.800     1.000     1.000 peak   460 spectrum    1 weight  0.10000E+01 volume  0.24314E-02 ppm1      9.019 ppm2      3.910 CV     1
 ASSI {  461}
   (( segid " 1SG" and resid 93   and name HN  ))
   (  segid " 1SG" and resid 93   and name HG2%)
      3.500     1.500     1.500 peak   461 spectrum    1 weight  0.10000E+01 volume  0.24263E-02 ppm1      8.557 ppm2      1.024 CV     1
 ASSI {  463}
   (( segid " 1SG" and resid 84   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG1%)
      2.800     1.000     1.000 peak   463 spectrum    1 weight  0.10000E+01 volume  0.23849E-02 ppm1      7.866 ppm2      0.680 CV     1
 ASSI {  465}
   (( segid " 1SG" and resid 40   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG2%)
      3.900     1.900     1.900 peak   465 spectrum    1 weight  0.10000E+01 volume  0.23774E-02 ppm1      8.695 ppm2     -0.459 CV     1
 ASSI {  466}
   (( segid " 1SG" and resid 24   and name HN  ))
   (  segid " 1SG" and resid 24   and name HD% )
      3.100     1.200     1.200 peak   466 spectrum    1 weight  0.10000E+01 volume  0.23692E-02 ppm1      9.240 ppm2      6.937 CV     1
 ASSI {  468}
   (( segid " 1SG" and resid 83   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG1%)
      2.700     0.900     0.900 peak   468 spectrum    1 weight  0.10000E+01 volume  0.23670E-02 ppm1      8.255 ppm2      0.675 CV     1
 ASSI {  469}
   (( segid " 1SG" and resid 27   and name HN  ))
   (  segid " 1SG" and resid 26   and name HB% )
      3.400     1.500     1.500 peak   469 spectrum    1 weight  0.10000E+01 volume  0.23578E-02 ppm1      8.888 ppm2      1.455 CV     1
 ASSI {  470}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 47   and name HA  ))
      2.800     1.000     1.000 peak   470 spectrum    1 weight  0.10000E+01 volume  0.23541E-02 ppm1      7.291 ppm2      4.058 CV     1
 ASSI {  474}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 21   and name HB2 ))
      2.700     0.900     0.900 peak   474 spectrum    1 weight  0.10000E+01 volume  0.23460E-02 ppm1      8.888 ppm2      3.751 CV     1
 ASSI {  476}
   (( segid " 1SG" and resid 51   and name HN  ))
   (( segid " 1SG" and resid 50   and name HN  ))
      2.800     1.000     1.000 peak   476 spectrum    1 weight  0.10000E+01 volume  0.23379E-02 ppm1      7.880 ppm2      8.943 CV     1
 ASSI {  477}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 18   and name HA  ))
      3.900     1.900     1.900 peak   477 spectrum    1 weight  0.10000E+01 volume  0.23358E-02 ppm1      8.823 ppm2      3.479 CV     1
 ASSI {  479}
   (( segid " 1SG" and resid 76   and name HN  ))
   (  segid " 1SG" and resid 23   and name HG2%)
      3.500     1.500     1.500 peak   479 spectrum    1 weight  0.10000E+01 volume  0.23320E-02 ppm1      8.927 ppm2      0.780 CV     1
 ASSI {  480}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 22   and name HA  ))
      2.700     0.900     0.900 peak   480 spectrum    1 weight  0.10000E+01 volume  0.23197E-02 ppm1      8.888 ppm2      4.342 CV     1
 ASSI {  482}
   (( segid " 1SG" and resid 49   and name HN  ))
   (  segid " 1SG" and resid 49   and name HD1%)
      2.600     0.800     0.800 peak   482 spectrum    1 weight  0.10000E+01 volume  0.23136E-02 ppm1      9.288 ppm2      1.750 CV     1
 ASSI {  483}
   (( segid " 1SG" and resid 30   and name HN  ))
   (( segid " 1SG" and resid 30   and name HA1 ))
      2.700     0.900     0.900 peak   483 spectrum    1 weight  0.10000E+01 volume  0.23060E-02 ppm1      8.591 ppm2      3.945 CV     1
 ASSI {  484}
   (( segid " 1SG" and resid 18   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.000     1.200     1.200 peak   484 spectrum    1 weight  0.10000E+01 volume  0.22828E-02 ppm1      8.006 ppm2      0.372 CV     1
 ASSI {  487}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 69   and name HB  ))
      3.100     3.100     2.900 peak   487 spectrum    1 weight  0.10000E+01 volume  0.22574E-02 ppm1      8.723 ppm2      1.750 CV     1
 ASSI {  489}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 97   and name HB2 ))
      3.100     1.200     1.200 peak   489 spectrum    1 weight  0.10000E+01 volume  0.22524E-02 ppm1      8.062 ppm2      2.677 CV     1
 ASSI {  490}
   (( segid " 1SG" and resid 83   and name HN  ))
   (  segid " 1SG" and resid 83   and name HD% )
      3.600     1.600     1.600 peak   490 spectrum    1 weight  0.10000E+01 volume  0.22523E-02 ppm1      8.256 ppm2      7.116 CV     1
 ASSI {  493}
   (( segid " 1SG" and resid 23   and name HN  ))
   (( segid " 1SG" and resid 22   and name HB  ))
      3.700     1.700     1.700 peak   493 spectrum    1 weight  0.10000E+01 volume  0.22442E-02 ppm1      7.914 ppm2      1.515 CV     1
 ASSI {  495}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 44   and name HA2 ))
      2.900     1.100     1.100 peak   495 spectrum    1 weight  0.10000E+01 volume  0.22321E-02 ppm1      8.211 ppm2      3.816 CV     1
 ASSI {  498}
   (( segid " 1SG" and resid 52   and name HN  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      3.200     1.300     1.300 peak   498 spectrum    1 weight  0.10000E+01 volume  0.22229E-02 ppm1      7.782 ppm2      1.075 CV     1
 ASSI {  500}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 66   and name HA  ))
      3.100     1.200     1.200 peak   500 spectrum    1 weight  0.10000E+01 volume  0.22191E-02 ppm1      7.422 ppm2      4.123 CV     1
 ASSI {  501}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 106  and name HB  ))
      2.900     1.100     1.100 peak   501 spectrum    1 weight  0.10000E+01 volume  0.22157E-02 ppm1      8.151 ppm2      1.850 CV     1
 ASSI {  503}
   (( segid " 1SG" and resid 87   and name HN  ))
   (  segid " 1SG" and resid 87   and name HD% )
      2.600     0.800     0.800 peak   503 spectrum    1 weight  0.10000E+01 volume  0.21922E-02 ppm1      9.115 ppm2      6.800 CV     1
 ASSI {  504}
   (( segid " 1SG" and resid 61   and name HN  ))
   (( segid " 1SG" and resid 60   and name HB2 ))
      3.800     1.800     1.800 peak   504 spectrum    1 weight  0.10000E+01 volume  0.21839E-02 ppm1      8.180 ppm2      2.991 CV     1
 ASSI {  506}
   (( segid " 1SG" and resid 82   and name HN  ))
   (  segid " 1SG" and resid 82   and name HB% )
      3.200     1.300     1.300 peak   506 spectrum    1 weight  0.10000E+01 volume  0.21684E-02 ppm1      8.017 ppm2      1.312 CV     1
 ASSI {  508}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 96   and name HB2 ))
      3.800     1.800     1.800 peak   508 spectrum    1 weight  0.10000E+01 volume  0.21595E-02 ppm1      8.059 ppm2      1.560 CV     1
 ASSI {  509}
   (( segid " 1SG" and resid 80   and name HE21))
   (( segid " 1SG" and resid 80   and name HB1 ))
      3.100     1.200     1.200 peak   509 spectrum    1 weight  0.10000E+01 volume  0.21560E-02 ppm1      6.985 ppm2      1.949 CV     1
 OR {  509}
   (( segid " 1SG" and resid 80   and name HE21))
   (( segid " 1SG" and resid 80   and name HB2 ))
 ASSI {  510}
   (( segid " 1SG" and resid 85   and name HN  ))
   (( segid " 1SG" and resid 85   and name HA1 ))
      2.800     1.000     1.000 peak   510 spectrum    1 weight  0.10000E+01 volume  0.21461E-02 ppm1      9.407 ppm2      3.930 CV     1
 ASSI {  511}
   (( segid " 1SG" and resid 12   and name HN  ))
   (( segid " 1SG" and resid 12   and name HB2 ))
      3.000     1.100     1.100 peak   511 spectrum    1 weight  0.10000E+01 volume  0.21351E-02 ppm1      8.347 ppm2      1.969 CV     1
 ASSI {  512}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 102  and name HB2 ))
      3.200     1.300     1.300 peak   512 spectrum    1 weight  0.10000E+01 volume  0.21351E-02 ppm1      9.242 ppm2      2.724 CV     1
 ASSI {  515}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 20   and name HN  ))
      3.200     1.300     1.300 peak   515 spectrum    1 weight  0.10000E+01 volume  0.21276E-02 ppm1      8.972 ppm2      8.828 CV     1
 ASSI {  516}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 8    and name HB  ))
      2.800     1.000     1.000 peak   516 spectrum    1 weight  0.10000E+01 volume  0.21182E-02 ppm1      7.887 ppm2      1.807 CV     1
 ASSI {  518}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 87   and name HA  ))
      2.700     0.900     0.900 peak   518 spectrum    1 weight  0.10000E+01 volume  0.21114E-02 ppm1      9.108 ppm2      4.962 CV     1
 ASSI {  522}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB1 ))
      3.500     1.600     1.600 peak   522 spectrum    1 weight  0.10000E+01 volume  0.20947E-02 ppm1      8.381 ppm2      2.395 CV     1
 OR {  522}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB2 ))
 ASSI {  526}
   (( segid " 1SG" and resid 29   and name HN  ))
   (( segid " 1SG" and resid 29   and name HA  ))
      2.800     1.000     1.000 peak   526 spectrum    1 weight  0.10000E+01 volume  0.20542E-02 ppm1      8.854 ppm2      4.390 CV     1
 ASSI {  530}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 54   and name HA2 ))
      3.200     1.300     1.300 peak   530 spectrum    1 weight  0.10000E+01 volume  0.20318E-02 ppm1      9.019 ppm2      4.291 CV     1
 ASSI {  531}
   (( segid " 1SG" and resid 19   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      3.300     1.400     1.400 peak   531 spectrum    1 weight  0.10000E+01 volume  0.20177E-02 ppm1      9.828 ppm2      1.174 CV     1
 ASSI {  532}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 60   and name HB2 ))
      2.900     1.000     1.000 peak   532 spectrum    1 weight  0.10000E+01 volume  0.20157E-02 ppm1      8.687 ppm2      2.990 CV     1
 ASSI {  533}
   (( segid " 1SG" and resid 5    and name HN  ))
   (( segid " 1SG" and resid 4    and name HB  ))
      2.600     0.800     0.800 peak   533 spectrum    1 weight  0.10000E+01 volume  0.20064E-02 ppm1      8.144 ppm2      2.029 CV     1
 ASSI {  534}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 71   and name HN  ))
      2.900     1.100     1.100 peak   534 spectrum    1 weight  0.10000E+01 volume  0.20047E-02 ppm1      8.848 ppm2      8.722 CV     1
 ASSI {  535}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 105  and name HB  ))
      2.900     1.100     1.100 peak   535 spectrum    1 weight  0.10000E+01 volume  0.19951E-02 ppm1      8.398 ppm2      3.929 CV     1
 ASSI {  537}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 58   and name HA  ))
      2.800     1.000     1.000 peak   537 spectrum    1 weight  0.10000E+01 volume  0.19931E-02 ppm1      8.940 ppm2      4.631 CV     1
 ASSI {  539}
   (( segid " 1SG" and resid 28   and name HN  ))
   (  segid " 1SG" and resid 28   and name HG2%)
      3.000     1.100     1.100 peak   539 spectrum    1 weight  0.10000E+01 volume  0.19860E-02 ppm1      9.673 ppm2      0.631 CV     1
 ASSI {  540}
   (( segid " 1SG" and resid 48   and name HN  ))
   (( segid " 1SG" and resid 48   and name HA  ))
      2.900     1.100     1.100 peak   540 spectrum    1 weight  0.10000E+01 volume  0.19791E-02 ppm1      8.396 ppm2      4.191 CV     1
 ASSI {  541}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 40   and name HB2 ))
      3.700     1.700     1.700 peak   541 spectrum    1 weight  0.10000E+01 volume  0.19775E-02 ppm1      8.694 ppm2      1.340 CV     1
 ASSI {  542}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 59   and name HA  ))
      2.800     1.000     1.000 peak   542 spectrum    1 weight  0.10000E+01 volume  0.19759E-02 ppm1      8.380 ppm2      5.185 CV     1
 ASSI {  544}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 16   and name HN  ))
      3.200     1.300     1.300 peak   544 spectrum    1 weight  0.10000E+01 volume  0.19648E-02 ppm1      8.823 ppm2      8.584 CV     1
 ASSI {  545}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 93   and name HN  ))
      2.800     1.000     1.000 peak   545 spectrum    1 weight  0.10000E+01 volume  0.19634E-02 ppm1      7.548 ppm2      8.557 CV     1
 ASSI {  546}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 71   and name HB2 ))
      3.300     1.300     1.300 peak   546 spectrum    1 weight  0.10000E+01 volume  0.19580E-02 ppm1      8.723 ppm2      1.271 CV     1
 ASSI {  548}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 58   and name HG2 ))
      4.500     2.500     1.500 peak   548 spectrum    1 weight  0.10000E+01 volume  0.19512E-02 ppm1      8.378 ppm2      1.797 CV     1
 ASSI {  549}
   (( segid " 1SG" and resid 91   and name HN  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      3.900     1.900     1.900 peak   549 spectrum    1 weight  0.10000E+01 volume  0.19511E-02 ppm1      8.474 ppm2      0.179 CV     1
 ASSI {  550}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 14   and name HA2 ))
      3.000     1.100     1.100 peak   550 spectrum    1 weight  0.10000E+01 volume  0.19465E-02 ppm1      9.184 ppm2      4.939 CV     1
 ASSI {  551}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 40   and name HB2 ))
      3.500     1.500     1.500 peak   551 spectrum    1 weight  0.10000E+01 volume  0.19428E-02 ppm1      9.309 ppm2      1.344 CV     1
 ASSI {  554}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 88   and name HA  ))
      2.900     1.000     1.000 peak   554 spectrum    1 weight  0.10000E+01 volume  0.19335E-02 ppm1      8.977 ppm2      5.305 CV     1
 ASSI {  555}
   (( segid " 1SG" and resid 59   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD1%)
      4.100     2.100     1.900 peak   555 spectrum    1 weight  0.10000E+01 volume  0.19297E-02 ppm1      8.380 ppm2      0.859 CV     1
 ASSI {  558}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 49   and name HN  ))
      2.800     1.000     1.000 peak   558 spectrum    1 weight  0.10000E+01 volume  0.19128E-02 ppm1      8.941 ppm2      9.293 CV     1
 ASSI {  559}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 47   and name HB  ))
      3.400     1.500     1.500 peak   559 spectrum    1 weight  0.10000E+01 volume  0.19107E-02 ppm1      8.633 ppm2      2.501 CV     1
 ASSI {  560}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 92   and name HB1 ))
      3.100     1.200     1.200 peak   560 spectrum    1 weight  0.10000E+01 volume  0.19049E-02 ppm1      8.734 ppm2      3.936 CV     1
 OR {  560}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 92   and name HB2 ))
 ASSI {  561}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 96   and name HB2 ))
      2.400     0.700     0.700 peak   561 spectrum    1 weight  0.10000E+01 volume  0.18993E-02 ppm1      7.548 ppm2      1.566 CV     1
 ASSI {  563}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 64   and name HA  ))
      3.900     1.900     1.900 peak   563 spectrum    1 weight  0.10000E+01 volume  0.18894E-02 ppm1      8.107 ppm2      4.573 CV     1
 ASSI {  564}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 39   and name HA  ))
      2.900     1.000     1.000 peak   564 spectrum    1 weight  0.10000E+01 volume  0.18864E-02 ppm1      7.892 ppm2      4.799 CV     1
 ASSI {  565}
   (( segid " 1SG" and resid 72   and name HN  ))
   (  segid " 1SG" and resid 72   and name HD% )
      2.700     0.900     0.900 peak   565 spectrum    1 weight  0.10000E+01 volume  0.18853E-02 ppm1      9.296 ppm2      7.306 CV     1
 ASSI {  566}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 14   and name HA1 ))
      3.200     1.200     1.200 peak   566 spectrum    1 weight  0.10000E+01 volume  0.18762E-02 ppm1      9.184 ppm2      3.743 CV     1
 ASSI {  567}
   (( segid " 1SG" and resid 77   and name HN  ))
   (( segid " 1SG" and resid 77   and name HA  ))
      2.800     1.000     1.000 peak   567 spectrum    1 weight  0.10000E+01 volume  0.18760E-02 ppm1      8.715 ppm2      4.655 CV     1
 ASSI {  570}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 87   and name HA  ))
      3.100     1.200     1.200 peak   570 spectrum    1 weight  0.10000E+01 volume  0.18470E-02 ppm1      8.211 ppm2      4.972 CV     1
 ASSI {  571}
   (( segid " 1SG" and resid 30   and name HN  ))
   (( segid " 1SG" and resid 30   and name HA2 ))
      3.200     1.300     1.300 peak   571 spectrum    1 weight  0.10000E+01 volume  0.18449E-02 ppm1      8.590 ppm2      4.673 CV     1
 ASSI {  573}
   (( segid " 1SG" and resid 108  and name HN  ))
   (  segid " 1SG" and resid 18   and name HG2%)
      3.500     1.500     1.500 peak   573 spectrum    1 weight  0.10000E+01 volume  0.18216E-02 ppm1      8.565 ppm2      0.943 CV     1
 ASSI {  574}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 13   and name HB2 ))
      2.800     1.000     1.000 peak   574 spectrum    1 weight  0.10000E+01 volume  0.18201E-02 ppm1      9.184 ppm2      2.684 CV     1
 ASSI {  575}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 75   and name HB2 ))
      3.100     1.200     1.200 peak   575 spectrum    1 weight  0.10000E+01 volume  0.18196E-02 ppm1      8.941 ppm2      2.888 CV     1
 OR {  575}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 75   and name HB1 ))
 ASSI {  576}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 77   and name HA  ))
      2.800     1.000     1.000 peak   576 spectrum    1 weight  0.10000E+01 volume  0.18101E-02 ppm1      8.887 ppm2      4.655 CV     1
 ASSI {  578}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 40   and name HA  ))
      2.900     1.100     1.100 peak   578 spectrum    1 weight  0.10000E+01 volume  0.18095E-02 ppm1      8.696 ppm2      4.547 CV     1
 ASSI {  579}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 65   and name HA  ))
      3.200     1.300     1.300 peak   579 spectrum    1 weight  0.10000E+01 volume  0.18075E-02 ppm1      8.106 ppm2      3.452 CV     1
 ASSI {  581}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 84   and name HA  ))
      3.000     1.100     1.100 peak   581 spectrum    1 weight  0.10000E+01 volume  0.17892E-02 ppm1      8.151 ppm2      4.228 CV     1
 ASSI {  582}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 56   and name HN  ))
      2.900     1.100     1.100 peak   582 spectrum    1 weight  0.10000E+01 volume  0.17891E-02 ppm1      7.199 ppm2      8.391 CV     1
 ASSI {  584}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 96   and name HG1 ))
      3.900     1.900     1.900 peak   584 spectrum    1 weight  0.10000E+01 volume  0.17876E-02 ppm1      8.062 ppm2      1.318 CV     1
 OR {  584}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 96   and name HG2 ))
 ASSI {  585}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HB2 ))
      3.000     1.100     1.100 peak   585 spectrum    1 weight  0.10000E+01 volume  0.17852E-02 ppm1      8.888 ppm2      1.573 CV     1
 OR {  585}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HB1 ))
 ASSI {  586}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 27   and name HN  ))
      3.200     1.300     1.300 peak   586 spectrum    1 weight  0.10000E+01 volume  0.17833E-02 ppm1      7.890 ppm2      8.886 CV     1
 ASSI {  587}
   (( segid " 1SG" and resid 79   and name HN  ))
   (  segid " 1SG" and resid 76   and name HG2%)
      3.300     1.300     1.300 peak   587 spectrum    1 weight  0.10000E+01 volume  0.17780E-02 ppm1      8.974 ppm2      0.787 CV     1
 ASSI {  590}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 53   and name HA  ))
      3.700     1.700     1.700 peak   590 spectrum    1 weight  0.10000E+01 volume  0.17552E-02 ppm1      7.198 ppm2      4.042 CV     1
 ASSI {  592}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 94   and name HA  ))
      3.100     1.200     1.200 peak   592 spectrum    1 weight  0.10000E+01 volume  0.17523E-02 ppm1      7.971 ppm2      4.045 CV     1
 ASSI {  593}
   (( segid " 1SG" and resid 63   and name HN  ))
   (( segid " 1SG" and resid 63   and name HB2 ))
      3.700     1.700     1.700 peak   593 spectrum    1 weight  0.10000E+01 volume  0.17513E-02 ppm1      8.518 ppm2      2.529 CV     1
 ASSI {  595}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 76   and name HB  ))
      3.500     1.500     1.500 peak   595 spectrum    1 weight  0.10000E+01 volume  0.17394E-02 ppm1      8.888 ppm2      1.901 CV     1
 ASSI {  596}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 104  and name HA  ))
      3.000     1.100     1.100 peak   596 spectrum    1 weight  0.10000E+01 volume  0.17375E-02 ppm1      9.184 ppm2      5.418 CV     1
 ASSI {  597}
   (( segid " 1SG" and resid 18   and name HN  ))
   (( segid " 1SG" and resid 108  and name HA  ))
      3.500     1.600     1.600 peak   597 spectrum    1 weight  0.10000E+01 volume  0.17374E-02 ppm1      8.006 ppm2      4.146 CV     1
 ASSI {  599}
   (( segid " 1SG" and resid 80   and name HN  ))
   (( segid " 1SG" and resid 79   and name HA  ))
      2.900     1.000     1.000 peak   599 spectrum    1 weight  0.10000E+01 volume  0.17232E-02 ppm1      5.579 ppm2      3.659 CV     1
 ASSI {  601}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      4.000     2.000     2.000 peak   601 spectrum    1 weight  0.10000E+01 volume  0.17116E-02 ppm1      9.018 ppm2      1.461 CV     1
 ASSI {  603}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 38   and name HN  ))
      3.000     1.100     1.100 peak   603 spectrum    1 weight  0.10000E+01 volume  0.17028E-02 ppm1      8.735 ppm2      8.378 CV     1
 ASSI {  604}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 46   and name HN  ))
      2.600     0.800     0.800 peak   604 spectrum    1 weight  0.10000E+01 volume  0.17011E-02 ppm1      7.293 ppm2      8.221 CV     1
 ASSI {  608}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 78   and name HB2 ))
      3.200     1.300     1.300 peak   608 spectrum    1 weight  0.10000E+01 volume  0.16857E-02 ppm1      8.054 ppm2      2.374 CV     1
 ASSI {  611}
   (( segid " 1SG" and resid 23   and name HN  ))
   (  segid " 1SG" and resid 23   and name HG2%)
      3.900     1.900     1.900 peak   611 spectrum    1 weight  0.10000E+01 volume  0.16777E-02 ppm1      7.914 ppm2      0.771 CV     1
 ASSI {  612}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 28   and name HB  ))
      3.000     1.200     1.200 peak   612 spectrum    1 weight  0.10000E+01 volume  0.16701E-02 ppm1      9.674 ppm2      1.955 CV     1
 ASSI {  613}
   (( segid " 1SG" and resid 107  and name HN  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      3.600     1.600     1.600 peak   613 spectrum    1 weight  0.10000E+01 volume  0.16681E-02 ppm1      8.823 ppm2      0.606 CV     1
 ASSI {  614}
   (( segid " 1SG" and resid 17   and name HN  ))
   (( segid " 1SG" and resid 18   and name HN  ))
      3.700     1.700     1.700 peak   614 spectrum    1 weight  0.10000E+01 volume  0.16623E-02 ppm1      7.899 ppm2      7.995 CV     1
 ASSI {  619}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 2    and name HB2 ))
      4.300     2.300     1.700 peak   619 spectrum    1 weight  0.10000E+01 volume  0.16227E-02 ppm1      7.971 ppm2      2.674 CV     1
 ASSI {  620}
   (( segid " 1SG" and resid 107  and name HN  ))
   (  segid " 1SG" and resid 106  and name HG1%)
      4.000     2.000     2.000 peak   620 spectrum    1 weight  0.10000E+01 volume  0.16201E-02 ppm1      8.823 ppm2      0.675 CV     1
 ASSI {  622}
   (( segid " 1SG" and resid 61   and name HN  ))
   (( segid " 1SG" and resid 61   and name HB2 ))
      3.400     1.400     1.400 peak   622 spectrum    1 weight  0.10000E+01 volume  0.16093E-02 ppm1      8.177 ppm2      2.298 CV     1
 ASSI {  623}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 58   and name HG2 ))
      3.600     1.600     1.600 peak   623 spectrum    1 weight  0.10000E+01 volume  0.16088E-02 ppm1      8.941 ppm2      1.805 CV     1
 ASSI {  626}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 92   and name HA  ))
      3.100     1.200     1.200 peak   626 spectrum    1 weight  0.10000E+01 volume  0.16051E-02 ppm1      8.735 ppm2      5.242 CV     1
 ASSI {  630}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 16   and name HB  ))
      3.600     1.600     1.600 peak   630 spectrum    1 weight  0.10000E+01 volume  0.15889E-02 ppm1      8.594 ppm2      1.795 CV     1
 ASSI {  631}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 97   and name HA  ))
      3.100     1.200     1.200 peak   631 spectrum    1 weight  0.10000E+01 volume  0.15888E-02 ppm1      8.062 ppm2      5.253 CV     1
 ASSI {  632}
   (( segid " 1SG" and resid 58   and name HE22))
   (( segid " 1SG" and resid 76   and name HG12))
      4.000     2.000     2.000 peak   632 spectrum    1 weight  0.10000E+01 volume  0.15873E-02 ppm1      6.684 ppm2      1.101 CV     1
 ASSI {  635}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB2 ))
      3.100     1.200     1.200 peak   635 spectrum    1 weight  0.10000E+01 volume  0.15798E-02 ppm1      8.944 ppm2      2.395 CV     1
 OR {  635}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB1 ))
 ASSI {  636}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 25   and name HB2 ))
      3.200     1.300     1.300 peak   636 spectrum    1 weight  0.10000E+01 volume  0.15737E-02 ppm1      8.404 ppm2      3.599 CV     1
 ASSI {  637}
   (( segid " 1SG" and resid 7    and name HN  ))
   (  segid " 1SG" and resid 7    and name HD% )
      3.900     1.900     1.900 peak   637 spectrum    1 weight  0.10000E+01 volume  0.15693E-02 ppm1      8.878 ppm2      7.307 CV     1
 ASSI {  638}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 75   and name HA  ))
      3.100     1.200     1.200 peak   638 spectrum    1 weight  0.10000E+01 volume  0.15674E-02 ppm1      9.154 ppm2      5.086 CV     1
 ASSI {  642}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 35   and name HD2 ))
      3.400     1.400     1.400 peak   642 spectrum    1 weight  0.10000E+01 volume  0.15545E-02 ppm1      8.373 ppm2      1.622 CV     1
 OR {  642}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 35   and name HD1 ))
 ASSI {  643}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 75   and name HN  ))
      2.900     1.100     1.100 peak   643 spectrum    1 weight  0.10000E+01 volume  0.15532E-02 ppm1      8.939 ppm2      9.154 CV     1
 ASSI {  644}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 19   and name HN  ))
      3.200     1.300     1.300 peak   644 spectrum    1 weight  0.10000E+01 volume  0.15362E-02 ppm1      8.973 ppm2      9.828 CV     1
 ASSI {  645}
   (( segid " 1SG" and resid 59   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD2%)
      3.800     1.800     1.800 peak   645 spectrum    1 weight  0.10000E+01 volume  0.15330E-02 ppm1      8.381 ppm2      0.692 CV     1
 ASSI {  646}
   (( segid " 1SG" and resid 5    and name HN  ))
   (( segid " 1SG" and resid 4    and name HA  ))
      3.300     1.400     1.400 peak   646 spectrum    1 weight  0.10000E+01 volume  0.15299E-02 ppm1      8.144 ppm2      4.009 CV     1
 ASSI {  647}
   (( segid " 1SG" and resid 77   and name HN  ))
   (( segid " 1SG" and resid 57   and name HA  ))
      4.000     2.000     2.000 peak   647 spectrum    1 weight  0.10000E+01 volume  0.15286E-02 ppm1      8.715 ppm2      5.396 CV     1
 ASSI {  649}
   (( segid " 1SG" and resid 80   and name HE22))
   (( segid " 1SG" and resid 80   and name HB1 ))
      3.900     1.900     1.900 peak   649 spectrum    1 weight  0.10000E+01 volume  0.15225E-02 ppm1      6.645 ppm2      1.953 CV     1
 OR {  649}
   (( segid " 1SG" and resid 80   and name HE22))
   (( segid " 1SG" and resid 80   and name HB2 ))
 ASSI {  651}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 94   and name HB2 ))
      2.900     1.000     1.000 peak   651 spectrum    1 weight  0.10000E+01 volume  0.15114E-02 ppm1      7.971 ppm2      1.782 CV     1
 ASSI {  652}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 11   and name HA  ))
      3.500     1.600     1.600 peak   652 spectrum    1 weight  0.10000E+01 volume  0.15050E-02 ppm1      8.398 ppm2      4.795 CV     1
 ASSI {  653}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 64   and name HB2 ))
      3.600     1.600     1.600 peak   653 spectrum    1 weight  0.10000E+01 volume  0.15010E-02 ppm1      6.898 ppm2      2.337 CV     1
 ASSI {  654}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 59   and name HG  ))
      4.000     2.000     2.000 peak   654 spectrum    1 weight  0.10000E+01 volume  0.14992E-02 ppm1      8.699 ppm2      1.425 CV     1
 ASSI {  656}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 68   and name HA  ))
      4.500     2.600     1.500 peak   656 spectrum    1 weight  0.10000E+01 volume  0.14951E-02 ppm1      7.420 ppm2      3.594 CV     1
 ASSI {  658}
   (( segid " 1SG" and resid 26   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD1%)
      3.200     1.200     1.200 peak   658 spectrum    1 weight  0.10000E+01 volume  0.14941E-02 ppm1      9.497 ppm2      0.841 CV     1
 ASSI {  659}
   (( segid " 1SG" and resid 103  and name HD22))
   (( segid " 1SG" and resid 103  and name HB2 ))
      4.200     2.200     1.800 peak   659 spectrum    1 weight  0.10000E+01 volume  0.14918E-02 ppm1      6.747 ppm2      2.501 CV     1
 ASSI {  660}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 24   and name HB2 ))
      3.700     1.700     1.700 peak   660 spectrum    1 weight  0.10000E+01 volume  0.14910E-02 ppm1      8.399 ppm2      2.394 CV     1
 ASSI {  661}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 45   and name HD2 ))
      3.700     1.700     1.700 peak   661 spectrum    1 weight  0.10000E+01 volume  0.14879E-02 ppm1     10.113 ppm2      1.215 CV     1
 OR {  661}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 45   and name HD1 ))
 ASSI {  662}
   (( segid " 1SG" and resid 34   and name HN  ))
   (( segid " 1SG" and resid 93   and name HA  ))
      4.100     2.100     1.900 peak   662 spectrum    1 weight  0.10000E+01 volume  0.14835E-02 ppm1      8.673 ppm2      4.763 CV     1
 ASSI {  663}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 73   and name HN  ))
      3.100     1.200     1.200 peak   663 spectrum    1 weight  0.10000E+01 volume  0.14809E-02 ppm1      8.686 ppm2      9.449 CV     1
 ASSI {  664}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 61   and name HA  ))
      3.600     1.600     1.600 peak   664 spectrum    1 weight  0.10000E+01 volume  0.14802E-02 ppm1      9.450 ppm2      5.557 CV     1
 ASSI {  665}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 24   and name HA  ))
      3.100     1.200     1.200 peak   665 spectrum    1 weight  0.10000E+01 volume  0.14801E-02 ppm1      9.240 ppm2      4.615 CV     1
 ASSI {  666}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 27   and name HB1 ))
      3.400     1.400     1.400 peak   666 spectrum    1 weight  0.10000E+01 volume  0.14678E-02 ppm1      9.672 ppm2      1.578 CV     1
 OR {  666}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 27   and name HB2 ))
 ASSI {  667}
   (( segid " 1SG" and resid 104  and name HN  ))
   (  segid " 1SG" and resid 87   and name HD% )
      3.300     1.400     1.400 peak   667 spectrum    1 weight  0.10000E+01 volume  0.14666E-02 ppm1      8.792 ppm2      6.806 CV     1
 ASSI {  668}
   (( segid " 1SG" and resid 26   and name HN  ))
   (( segid " 1SG" and resid 25   and name HB2 ))
      3.700     1.700     1.700 peak   668 spectrum    1 weight  0.10000E+01 volume  0.14621E-02 ppm1      9.497 ppm2      3.598 CV     1
 ASSI {  669}
   (( segid " 1SG" and resid 58   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
      3.300     1.300     1.300 peak   669 spectrum    1 weight  0.10000E+01 volume  0.14617E-02 ppm1      8.941 ppm2      0.604 CV     1
 OR {  669}
   (( segid " 1SG" and resid 58   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI {  670}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 3    and name HD1 ))
      4.200     2.200     1.800 peak   670 spectrum    1 weight  0.10000E+01 volume  0.14536E-02 ppm1      8.118 ppm2      3.845 CV     1
 OR {  670}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 3    and name HD2 ))
 ASSI {  672}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 93   and name HA  ))
      3.500     1.500     1.500 peak   672 spectrum    1 weight  0.10000E+01 volume  0.14497E-02 ppm1      8.375 ppm2      4.772 CV     1
 ASSI {  673}
   (( segid " 1SG" and resid 25   and name HN  ))
   (  segid " 1SG" and resid 24   and name HD% )
      4.000     2.000     2.000 peak   673 spectrum    1 weight  0.10000E+01 volume  0.14479E-02 ppm1      8.400 ppm2      6.932 CV     1
 ASSI {  676}
   (( segid " 1SG" and resid 68   and name HN  ))
   (( segid " 1SG" and resid 67   and name HA  ))
      3.400     1.500     1.500 peak   676 spectrum    1 weight  0.10000E+01 volume  0.14413E-02 ppm1      7.874 ppm2      4.297 CV     1
 ASSI {  678}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 107  and name HD2 ))
      3.300     1.300     1.300 peak   678 spectrum    1 weight  0.10000E+01 volume  0.14391E-02 ppm1      8.821 ppm2      6.922 CV     1
 ASSI {  679}
   (( segid " 1SG" and resid 8    and name HN  ))
   (( segid " 1SG" and resid 8    and name HB  ))
      3.100     1.200     1.200 peak   679 spectrum    1 weight  0.10000E+01 volume  0.14356E-02 ppm1      9.052 ppm2      1.821 CV     1
 ASSI {  680}
   (( segid " 1SG" and resid 77   and name HN  ))
   (( segid " 1SG" and resid 77   and name HB  ))
      3.600     1.600     1.600 peak   680 spectrum    1 weight  0.10000E+01 volume  0.14347E-02 ppm1      8.717 ppm2      4.008 CV     1
 ASSI {  681}
   (( segid " 1SG" and resid 23   and name HN  ))
   (( segid " 1SG" and resid 23   and name HA  ))
      3.000     1.200     1.200 peak   681 spectrum    1 weight  0.10000E+01 volume  0.14325E-02 ppm1      7.913 ppm2      5.100 CV     1
 ASSI {  682}
   (( segid " 1SG" and resid 100  and name HN  ))
   (( segid " 1SG" and resid 90   and name HA  ))
      3.700     1.700     1.700 peak   682 spectrum    1 weight  0.10000E+01 volume  0.14311E-02 ppm1      8.897 ppm2      4.788 CV     1
 ASSI {  683}
   (( segid " 1SG" and resid 76   and name HN  ))
   (( segid " 1SG" and resid 75   and name HB1 ))
      4.000     2.000     2.000 peak   683 spectrum    1 weight  0.10000E+01 volume  0.14294E-02 ppm1      8.925 ppm2      2.891 CV     1
 OR {  683}
   (( segid " 1SG" and resid 76   and name HN  ))
   (( segid " 1SG" and resid 75   and name HB2 ))
 ASSI {  684}
   (( segid " 1SG" and resid 102  and name HN  ))
   (( segid " 1SG" and resid 102  and name HA  ))
      3.200     1.300     1.300 peak   684 spectrum    1 weight  0.10000E+01 volume  0.14282E-02 ppm1      8.557 ppm2      4.989 CV     1
 ASSI {  686}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 49   and name HB2 ))
      3.900     1.900     1.900 peak   686 spectrum    1 weight  0.10000E+01 volume  0.14264E-02 ppm1      7.786 ppm2      1.548 CV     1
 ASSI {  690}
   (( segid " 1SG" and resid 64   and name HN  ))
   (( segid " 1SG" and resid 69   and name HN  ))
      3.200     1.300     1.300 peak   690 spectrum    1 weight  0.10000E+01 volume  0.14152E-02 ppm1      7.751 ppm2      6.898 CV     1
 ASSI {  691}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 33   and name HA  ))
      4.200     2.200     1.800 peak   691 spectrum    1 weight  0.10000E+01 volume  0.14144E-02 ppm1      7.509 ppm2      4.450 CV     1
 ASSI {  694}
   (( segid " 1SG" and resid 74   and name HN  ))
   (  segid " 1SG" and resid 23   and name HG2%)
      3.400     1.500     1.500 peak   694 spectrum    1 weight  0.10000E+01 volume  0.14083E-02 ppm1      8.470 ppm2      0.765 CV     1
 ASSI {  696}
   (( segid " 1SG" and resid 68   and name HN  ))
   (( segid " 1SG" and resid 65   and name HA  ))
      3.200     1.300     1.300 peak   696 spectrum    1 weight  0.10000E+01 volume  0.14018E-02 ppm1      7.878 ppm2      3.451 CV     1
 ASSI {  698}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 45   and name HB2 ))
      3.500     1.500     1.500 peak   698 spectrum    1 weight  0.10000E+01 volume  0.13932E-02 ppm1     10.115 ppm2      0.595 CV     1
 OR {  698}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 45   and name HG2 ))
 ASSI {  699}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 38   and name HB  ))
      3.900     1.900     1.900 peak   699 spectrum    1 weight  0.10000E+01 volume  0.13897E-02 ppm1      7.893 ppm2      1.891 CV     1
 ASSI {  700}
   (( segid " 1SG" and resid 26   and name HN  ))
   (( segid " 1SG" and resid 26   and name HA  ))
      3.200     1.200     1.200 peak   700 spectrum    1 weight  0.10000E+01 volume  0.13866E-02 ppm1      9.494 ppm2      4.916 CV     1
 ASSI {  701}
   (( segid " 1SG" and resid 106  and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      4.100     2.100     1.900 peak   701 spectrum    1 weight  0.10000E+01 volume  0.13861E-02 ppm1      8.148 ppm2      0.372 CV     1
 ASSI {  702}
   (( segid " 1SG" and resid 50   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD1%)
      3.700     1.700     1.700 peak   702 spectrum    1 weight  0.10000E+01 volume  0.13859E-02 ppm1      8.941 ppm2      0.855 CV     1
 ASSI {  703}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 21   and name HA  ))
      2.800     1.000     1.000 peak   703 spectrum    1 weight  0.10000E+01 volume  0.13858E-02 ppm1      8.053 ppm2      5.494 CV     1
 ASSI {  704}
   (( segid " 1SG" and resid 38   and name HN  ))
   (  segid " 1SG" and resid 93   and name HG2%)
      4.300     2.300     1.700 peak   704 spectrum    1 weight  0.10000E+01 volume  0.13837E-02 ppm1      8.372 ppm2      1.022 CV     1
 ASSI {  706}
   (( segid " 1SG" and resid 87   and name HN  ))
   (( segid " 1SG" and resid 103  and name HA  ))
      3.200     1.300     1.300 peak   706 spectrum    1 weight  0.10000E+01 volume  0.13816E-02 ppm1      9.115 ppm2      5.535 CV     1
 ASSI {  707}
   (( segid " 1SG" and resid 33   and name HN  ))
   (( segid " 1SG" and resid 33   and name HB2 ))
      3.700     1.700     1.700 peak   707 spectrum    1 weight  0.10000E+01 volume  0.13790E-02 ppm1      7.611 ppm2      1.718 CV     1
 ASSI {  708}
   (( segid " 1SG" and resid 71   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD2%)
      4.300     2.300     1.700 peak   708 spectrum    1 weight  0.10000E+01 volume  0.13774E-02 ppm1      8.723 ppm2      0.733 CV     1
 ASSI {  709}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 27   and name HB2 ))
      3.200     1.300     1.300 peak   709 spectrum    1 weight  0.10000E+01 volume  0.13766E-02 ppm1      7.888 ppm2      1.570 CV     1
 OR {  709}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 27   and name HB1 ))
 ASSI {  710}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 72   and name HA  ))
      3.600     1.700     1.700 peak   710 spectrum    1 weight  0.10000E+01 volume  0.13733E-02 ppm1      8.849 ppm2      5.367 CV     1
 ASSI {  711}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 24   and name HB2 ))
      3.100     1.200     1.200 peak   711 spectrum    1 weight  0.10000E+01 volume  0.13718E-02 ppm1      9.240 ppm2      2.394 CV     1
 ASSI {  712}
   (( segid " 1SG" and resid 19   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      4.000     2.000     2.000 peak   712 spectrum    1 weight  0.10000E+01 volume  0.13696E-02 ppm1      9.827 ppm2      0.372 CV     1
 ASSI {  713}
   (( segid " 1SG" and resid 72   and name HN  ))
   (( segid " 1SG" and resid 72   and name HB2 ))
      2.700     0.900     0.900 peak   713 spectrum    1 weight  0.10000E+01 volume  0.13683E-02 ppm1      9.295 ppm2      2.892 CV     1
 ASSI {  715}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 49   and name HA  ))
      3.300     1.400     1.400 peak   715 spectrum    1 weight  0.10000E+01 volume  0.13677E-02 ppm1      8.940 ppm2      3.867 CV     1
 ASSI {  716}
   (( segid " 1SG" and resid 42   and name HN  ))
   (  segid " 1SG" and resid 42   and name HD% )
      4.100     2.100     1.900 peak   716 spectrum    1 weight  0.10000E+01 volume  0.13673E-02 ppm1      9.448 ppm2      6.695 CV     1
 ASSI {  718}
   (( segid " 1SG" and resid 85   and name HN  ))
   (( segid " 1SG" and resid 104  and name HN  ))
      3.300     1.400     1.400 peak   718 spectrum    1 weight  0.10000E+01 volume  0.13639E-02 ppm1      9.408 ppm2      8.792 CV     1
 ASSI {  720}
   (( segid " 1SG" and resid 54   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
      3.700     1.700     1.700 peak   720 spectrum    1 weight  0.10000E+01 volume  0.13550E-02 ppm1      9.023 ppm2      0.598 CV     1
 OR {  720}
   (( segid " 1SG" and resid 54   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI {  725}
   (( segid " 1SG" and resid 74   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD2%)
      3.200     1.300     1.300 peak   725 spectrum    1 weight  0.10000E+01 volume  0.13509E-02 ppm1      8.471 ppm2      0.409 CV     1
 OR {  725}
   (( segid " 1SG" and resid 74   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI {  728}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (  segid " 1SG" and resid 72   and name HD% )
      3.300     1.400     1.400 peak   728 spectrum    1 weight  0.10000E+01 volume  0.13377E-02 ppm1     10.780 ppm2      7.306 CV     1
 ASSI {  729}
   (( segid " 1SG" and resid 44   and name HN  ))
   (  segid " 1SG" and resid 47   and name HG1%)
      4.000     2.000     2.000 peak   729 spectrum    1 weight  0.10000E+01 volume  0.13332E-02 ppm1      8.212 ppm2      0.992 CV     1
 ASSI {  730}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 107  and name HN  ))
      3.800     1.800     1.800 peak   730 spectrum    1 weight  0.10000E+01 volume  0.13294E-02 ppm1      8.563 ppm2      8.822 CV     1
 ASSI {  731}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (  segid " 1SG" and resid 59   and name HD1%)
      3.800     1.800     1.800 peak   731 spectrum    1 weight  0.10000E+01 volume  0.13287E-02 ppm1     10.780 ppm2      0.855 CV     1
 ASSI {  732}
   (( segid " 1SG" and resid 6    and name HN  ))
   (( segid " 1SG" and resid 7    and name HN  ))
      3.100     1.200     1.200 peak   732 spectrum    1 weight  0.10000E+01 volume  0.13269E-02 ppm1      8.450 ppm2      8.878 CV     1
 ASSI {  733}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 103  and name HB2 ))
      3.700     1.700     1.700 peak   733 spectrum    1 weight  0.10000E+01 volume  0.13258E-02 ppm1      8.794 ppm2      2.502 CV     1
 ASSI {  734}
   (( segid " 1SG" and resid 49   and name HN  ))
   (  segid " 1SG" and resid 49   and name HD2%)
      4.200     2.200     1.800 peak   734 spectrum    1 weight  0.10000E+01 volume  0.13173E-02 ppm1      9.288 ppm2      1.014 CV     1
 ASSI {  735}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (( segid " 1SG" and resid 72   and name HB2 ))
      3.600     1.600     1.600 peak   735 spectrum    1 weight  0.10000E+01 volume  0.13166E-02 ppm1     10.779 ppm2      2.895 CV     1
 ASSI {  737}
   (( segid " 1SG" and resid 63   and name HN  ))
   (  segid " 1SG" and resid 63   and name HD% )
      4.000     2.000     2.000 peak   737 spectrum    1 weight  0.10000E+01 volume  0.13093E-02 ppm1      8.518 ppm2      5.900 CV     1
 ASSI {  742}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 15   and name HG2 ))
      4.400     2.500     1.600 peak   742 spectrum    1 weight  0.10000E+01 volume  0.12988E-02 ppm1      8.593 ppm2      2.271 CV     1
 OR {  742}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 15   and name HG1 ))
 ASSI {  745}
   (( segid " 1SG" and resid 53   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
      3.200     1.300     1.300 peak   745 spectrum    1 weight  0.10000E+01 volume  0.12862E-02 ppm1      6.764 ppm2      0.597 CV     1
 OR {  745}
   (( segid " 1SG" and resid 53   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI {  746}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 3    and name HB2 ))
      4.100     2.100     1.900 peak   746 spectrum    1 weight  0.10000E+01 volume  0.12855E-02 ppm1      8.263 ppm2      2.285 CV     1
 OR {  746}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 3    and name HB1 ))
 ASSI {  747}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 49   and name HA  ))
      3.100     1.200     1.200 peak   747 spectrum    1 weight  0.10000E+01 volume  0.12846E-02 ppm1      7.785 ppm2      3.862 CV     1
 ASSI {  748}
   (( segid " 1SG" and resid 73   and name HN  ))
   (  segid " 1SG" and resid 72   and name HD% )
      2.700     2.700     3.300 peak   748 spectrum    1 weight  0.10000E+01 volume  0.12845E-02 ppm1      9.449 ppm2      7.306 CV     1
 ASSI {  751}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 18   and name HN  ))
      3.500     1.500     1.500 peak   751 spectrum    1 weight  0.10000E+01 volume  0.12800E-02 ppm1      8.821 ppm2      8.005 CV     1
 ASSI {  753}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 25   and name HA  ))
      3.100     1.200     1.200 peak   753 spectrum    1 weight  0.10000E+01 volume  0.12754E-02 ppm1      8.399 ppm2      5.688 CV     1
 ASSI {  754}
   (( segid " 1SG" and resid 31   and name HN  ))
   (( segid " 1SG" and resid 31   and name HA  ))
      3.000     1.100     1.100 peak   754 spectrum    1 weight  0.10000E+01 volume  0.12750E-02 ppm1      8.418 ppm2      4.164 CV     1
 ASSI {  755}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 22   and name HB  ))
      3.200     1.300     1.300 peak   755 spectrum    1 weight  0.10000E+01 volume  0.12738E-02 ppm1      8.887 ppm2      1.514 CV     1
 ASSI {  758}
   (( segid " 1SG" and resid 57   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
      3.900     1.900     1.900 peak   758 spectrum    1 weight  0.10000E+01 volume  0.12706E-02 ppm1      7.199 ppm2      0.601 CV     1
 OR {  758}
   (( segid " 1SG" and resid 57   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI {  759}
   (( segid " 1SG" and resid 83   and name HN  ))
   (  segid " 1SG" and resid 104  and name HD2%)
      4.200     2.200     1.800 peak   759 spectrum    1 weight  0.10000E+01 volume  0.12674E-02 ppm1      8.256 ppm2      0.808 CV     1
 ASSI {  760}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 9    and name HB2 ))
      3.600     1.600     1.600 peak   760 spectrum    1 weight  0.10000E+01 volume  0.12642E-02 ppm1      8.888 ppm2      1.892 CV     1
 ASSI {  762}
   (( segid " 1SG" and resid 68   and name HN  ))
   (  segid " 1SG" and resid 66   and name HB% )
      2.700     2.700     3.300 peak   762 spectrum    1 weight  0.10000E+01 volume  0.12557E-02 ppm1      7.875 ppm2      1.403 CV     1
 ASSI {  763}
   (( segid " 1SG" and resid 61   and name HN  ))
   (( segid " 1SG" and resid 60   and name HN  ))
      4.100     2.100     1.900 peak   763 spectrum    1 weight  0.10000E+01 volume  0.12546E-02 ppm1      8.177 ppm2      8.689 CV     1
 ASSI {  764}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 74   and name HB2 ))
      2.800     1.000     1.000 peak   764 spectrum    1 weight  0.10000E+01 volume  0.12521E-02 ppm1      8.470 ppm2     -0.840 CV     1
 ASSI {  765}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 8    and name HA  ))
      3.600     1.600     1.600 peak   765 spectrum    1 weight  0.10000E+01 volume  0.12520E-02 ppm1      7.888 ppm2      4.174 CV     1
 ASSI {  767}
   (( segid " 1SG" and resid 91   and name HN  ))
   (( segid " 1SG" and resid 91   and name HB  ))
      3.300     1.300     1.300 peak   767 spectrum    1 weight  0.10000E+01 volume  0.12451E-02 ppm1      8.474 ppm2      1.131 CV     1
 ASSI {  770}
   (( segid " 1SG" and resid 102  and name HN  ))
   (( segid " 1SG" and resid 88   and name HA  ))
      3.500     1.500     1.500 peak   770 spectrum    1 weight  0.10000E+01 volume  0.12367E-02 ppm1      8.557 ppm2      5.305 CV     1
 ASSI {  771}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 57   and name HG  ))
      4.200     2.200     1.800 peak   771 spectrum    1 weight  0.10000E+01 volume  0.12361E-02 ppm1      7.198 ppm2      0.750 CV     1
 ASSI {  772}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 73   and name HA  ))
      3.100     1.200     1.200 peak   772 spectrum    1 weight  0.10000E+01 volume  0.12359E-02 ppm1      9.448 ppm2      5.466 CV     1
 ASSI {  773}
   (( segid " 1SG" and resid 6    and name HN  ))
   (( segid " 1SG" and resid 6    and name HA  ))
      3.000     1.100     1.100 peak   773 spectrum    1 weight  0.10000E+01 volume  0.12344E-02 ppm1      8.450 ppm2      4.448 CV     1
 ASSI {  774}
   (( segid " 1SG" and resid 12   and name HE21))
   (( segid " 1SG" and resid 12   and name HA  ))
      3.100     1.200     1.200 peak   774 spectrum    1 weight  0.10000E+01 volume  0.12343E-02 ppm1      7.451 ppm2      4.687 CV     1
 ASSI {  775}
   (( segid " 1SG" and resid 10   and name HN  ))
   (( segid " 1SG" and resid 10   and name HB2 ))
      3.500     1.500     1.500 peak   775 spectrum    1 weight  0.10000E+01 volume  0.12326E-02 ppm1      8.853 ppm2      1.250 CV     1
 ASSI {  776}
   (( segid " 1SG" and resid 102  and name HN  ))
   (( segid " 1SG" and resid 87   and name HN  ))
      3.100     1.200     1.200 peak   776 spectrum    1 weight  0.10000E+01 volume  0.12311E-02 ppm1      8.557 ppm2      9.117 CV     1
 ASSI {  777}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 94   and name HG2 ))
      3.500     1.600     1.600 peak   777 spectrum    1 weight  0.10000E+01 volume  0.12296E-02 ppm1      7.971 ppm2      1.402 CV     1
 OR {  777}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 94   and name HG1 ))
 ASSI {  778}
   (( segid " 1SG" and resid 75   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
      3.500     1.500     1.500 peak   778 spectrum    1 weight  0.10000E+01 volume  0.12277E-02 ppm1      9.152 ppm2      0.609 CV     1
 OR {  778}
   (( segid " 1SG" and resid 75   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI {  779}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 49   and name HA  ))
      3.000     1.100     1.100 peak   779 spectrum    1 weight  0.10000E+01 volume  0.12253E-02 ppm1      9.288 ppm2      3.859 CV     1
 ASSI {  783}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 56   and name HB2 ))
      3.600     1.700     1.700 peak   783 spectrum    1 weight  0.10000E+01 volume  0.12227E-02 ppm1      7.198 ppm2      3.101 CV     1
 ASSI {  790}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 104  and name HA  ))
      3.200     1.300     1.300 peak   790 spectrum    1 weight  0.10000E+01 volume  0.12096E-02 ppm1      8.792 ppm2      5.431 CV     1
 ASSI {  791}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 53   and name HN  ))
      3.800     1.800     1.800 peak   791 spectrum    1 weight  0.10000E+01 volume  0.12086E-02 ppm1      9.018 ppm2      6.764 CV     1
 ASSI {  792}
   (( segid " 1SG" and resid 104  and name HN  ))
   (  segid " 1SG" and resid 87   and name HE% )
      3.700     1.700     1.700 peak   792 spectrum    1 weight  0.10000E+01 volume  0.12074E-02 ppm1      8.791 ppm2      6.590 CV     1
 ASSI {  794}
   (( segid " 1SG" and resid 84   and name HN  ))
   (( segid " 1SG" and resid 85   and name HN  ))
      3.400     1.400     1.400 peak   794 spectrum    1 weight  0.10000E+01 volume  0.12046E-02 ppm1      7.865 ppm2      9.407 CV     1
 ASSI {  799}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (  segid " 1SG" and resid 39   and name HG2%)
      3.800     1.800     1.800 peak   799 spectrum    1 weight  0.10000E+01 volume  0.11931E-02 ppm1     10.779 ppm2     -0.462 CV     1
 ASSI {  802}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 103  and name HA  ))
      3.200     1.200     1.200 peak   802 spectrum    1 weight  0.10000E+01 volume  0.11863E-02 ppm1      9.242 ppm2      5.536 CV     1
 ASSI {  803}
   (( segid " 1SG" and resid 8    and name HN  ))
   (( segid " 1SG" and resid 8    and name HA  ))
      3.300     1.400     1.400 peak   803 spectrum    1 weight  0.10000E+01 volume  0.11803E-02 ppm1      9.052 ppm2      4.174 CV     1
 ASSI {  805}
   (( segid " 1SG" and resid 30   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG2%)
      4.400     2.400     1.600 peak   805 spectrum    1 weight  0.10000E+01 volume  0.11774E-02 ppm1      8.593 ppm2      0.934 CV     1
 OR {  805}
   (( segid " 1SG" and resid 30   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG1%)
 ASSI {  807}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 57   and name HG  ))
      4.100     2.100     1.900 peak   807 spectrum    1 weight  0.10000E+01 volume  0.11699E-02 ppm1      8.941 ppm2      0.750 CV     1
 ASSI {  808}
   (( segid " 1SG" and resid 80   and name HE22))
   (  segid " 1SG" and resid 18   and name HG1%)
      5.100     3.200     0.900 peak   808 spectrum    1 weight  0.10000E+01 volume  0.11693E-02 ppm1      6.644 ppm2      0.986 CV     1
 ASSI {  810}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 59   and name HA  ))
      3.800     1.800     1.800 peak   810 spectrum    1 weight  0.10000E+01 volume  0.11636E-02 ppm1      9.150 ppm2      5.181 CV     1
 ASSI {  811}
   (( segid " 1SG" and resid 93   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.200     1.300     1.300 peak   811 spectrum    1 weight  0.10000E+01 volume  0.11624E-02 ppm1      8.558 ppm2      0.475 CV     1
 ASSI {  812}
   (( segid " 1SG" and resid 19   and name HN  ))
   (( segid " 1SG" and resid 78   and name HA  ))
      3.300     1.300     1.300 peak   812 spectrum    1 weight  0.10000E+01 volume  0.11617E-02 ppm1      9.829 ppm2      4.106 CV     1
 ASSI {  813}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 38   and name HB  ))
      3.300     1.400     1.400 peak   813 spectrum    1 weight  0.10000E+01 volume  0.11603E-02 ppm1      8.735 ppm2      1.891 CV     1
 ASSI {  814}
   (( segid " 1SG" and resid 43   and name HN  ))
   (  segid " 1SG" and resid 49   and name HD1%)
      3.300     1.400     1.400 peak   814 spectrum    1 weight  0.10000E+01 volume  0.11600E-02 ppm1      8.631 ppm2      1.759 CV     1
 ASSI {  815}
   (( segid " 1SG" and resid 6    and name HN  ))
   (( segid " 1SG" and resid 5    and name HA1 ))
      3.400     1.400     1.400 peak   815 spectrum    1 weight  0.10000E+01 volume  0.11588E-02 ppm1      8.450 ppm2      3.861 CV     1
 OR {  815}
   (( segid " 1SG" and resid 6    and name HN  ))
   (( segid " 1SG" and resid 5    and name HA2 ))
 ASSI {  816}
   (( segid " 1SG" and resid 26   and name HN  ))
   (( segid " 1SG" and resid 72   and name HN  ))
      3.200     1.300     1.300 peak   816 spectrum    1 weight  0.10000E+01 volume  0.11572E-02 ppm1      9.497 ppm2      9.294 CV     1
 ASSI {  817}
   (( segid " 1SG" and resid 46   and name HN  ))
   (( segid " 1SG" and resid 45   and name HA  ))
      3.300     1.400     1.400 peak   817 spectrum    1 weight  0.10000E+01 volume  0.11570E-02 ppm1      8.215 ppm2      3.494 CV     1
 ASSI {  819}
   (( segid " 1SG" and resid 47   and name HN  ))
   (  segid " 1SG" and resid 42   and name HD% )
      3.500     1.500     1.500 peak   819 spectrum    1 weight  0.10000E+01 volume  0.11549E-02 ppm1      7.293 ppm2      6.695 CV     1
 ASSI {  820}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 49   and name HB2 ))
      2.800     1.000     1.000 peak   820 spectrum    1 weight  0.10000E+01 volume  0.11526E-02 ppm1      9.288 ppm2      1.557 CV     1
 ASSI {  822}
   (( segid " 1SG" and resid 29   and name HN  ))
   (( segid " 1SG" and resid 7    and name HA  ))
      3.900     1.900     1.900 peak   822 spectrum    1 weight  0.10000E+01 volume  0.11442E-02 ppm1      8.855 ppm2      4.626 CV     1
 ASSI {  823}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 74   and name HN  ))
      3.400     1.400     1.400 peak   823 spectrum    1 weight  0.10000E+01 volume  0.11440E-02 ppm1      9.240 ppm2      8.469 CV     1
 ASSI {  825}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 40   and name HG2 ))
      4.600     2.600     1.400 peak   825 spectrum    1 weight  0.10000E+01 volume  0.11427E-02 ppm1      9.308 ppm2      1.241 CV     1
 OR {  825}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 40   and name HG1 ))
 ASSI {  828}
   (( segid " 1SG" and resid 58   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD1%)
      4.300     2.300     1.700 peak   828 spectrum    1 weight  0.10000E+01 volume  0.11392E-02 ppm1      8.945 ppm2      0.402 CV     1
 OR {  828}
   (( segid " 1SG" and resid 58   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD2%)
 ASSI {  829}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 42   and name HA  ))
      3.300     1.400     1.400 peak   829 spectrum    1 weight  0.10000E+01 volume  0.11381E-02 ppm1      9.289 ppm2      5.784 CV     1
 ASSI {  830}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 78   and name HB2 ))
      4.200     2.200     1.800 peak   830 spectrum    1 weight  0.10000E+01 volume  0.11351E-02 ppm1      8.973 ppm2      2.375 CV     1
 ASSI {  831}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB1 ))
      4.400     2.400     1.600 peak   831 spectrum    1 weight  0.10000E+01 volume  0.11350E-02 ppm1      8.941 ppm2      1.687 CV     1
 OR {  831}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB2 ))
 ASSI {  832}
   (( segid " 1SG" and resid 70   and name HN  ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      3.200     1.200     1.200 peak   832 spectrum    1 weight  0.10000E+01 volume  0.11341E-02 ppm1      9.273 ppm2      2.816 CV     1
 ASSI {  833}
   (( segid " 1SG" and resid 87   and name HN  ))
   (( segid " 1SG" and resid 87   and name HB2 ))
      3.100     1.200     1.200 peak   833 spectrum    1 weight  0.10000E+01 volume  0.11313E-02 ppm1      9.112 ppm2      0.700 CV     1
 ASSI {  838}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 64   and name HB2 ))
      4.100     2.100     1.900 peak   838 spectrum    1 weight  0.10000E+01 volume  0.11254E-02 ppm1      8.307 ppm2      2.338 CV     1
 ASSI {  839}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 90   and name HN  ))
      3.200     1.300     1.300 peak   839 spectrum    1 weight  0.10000E+01 volume  0.11241E-02 ppm1      8.694 ppm2      9.477 CV     1
 ASSI {  840}
   (( segid " 1SG" and resid 92   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG2%)
      4.200     2.200     1.800 peak   840 spectrum    1 weight  0.10000E+01 volume  0.11231E-02 ppm1      8.735 ppm2     -0.459 CV     1
 ASSI {  841}
   (( segid " 1SG" and resid 68   and name HN  ))
   (( segid " 1SG" and resid 66   and name HN  ))
      4.300     2.300     1.700 peak   841 spectrum    1 weight  0.10000E+01 volume  0.11193E-02 ppm1      7.875 ppm2      8.104 CV     1
 ASSI {  843}
   (( segid " 1SG" and resid 7    and name HN  ))
   (( segid " 1SG" and resid 7    and name HB2 ))
      3.100     1.200     1.200 peak   843 spectrum    1 weight  0.10000E+01 volume  0.11185E-02 ppm1      8.878 ppm2      2.581 CV     1
 ASSI {  844}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 69   and name HN  ))
      3.800     1.900     1.900 peak   844 spectrum    1 weight  0.10000E+01 volume  0.11172E-02 ppm1      7.422 ppm2      6.897 CV     1
 ASSI {  847}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 4    and name HN  ))
      3.700     1.700     1.700 peak   847 spectrum    1 weight  0.10000E+01 volume  0.11124E-02 ppm1      8.112 ppm2      8.269 CV     1
 ASSI {  848}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 39   and name HB  ))
      3.800     1.800     1.800 peak   848 spectrum    1 weight  0.10000E+01 volume  0.11093E-02 ppm1      8.696 ppm2      0.582 CV     1
 ASSI {  852}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 71   and name HA  ))
      3.100     1.200     1.200 peak   852 spectrum    1 weight  0.10000E+01 volume  0.10998E-02 ppm1      8.722 ppm2      5.068 CV     1
 ASSI {  853}
   (( segid " 1SG" and resid 31   and name HN  ))
   (( segid " 1SG" and resid 30   and name HN  ))
      3.200     1.300     1.300 peak   853 spectrum    1 weight  0.10000E+01 volume  0.10995E-02 ppm1      8.414 ppm2      8.590 CV     1
 ASSI {  854}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 80   and name HN  ))
      4.200     2.200     1.800 peak   854 spectrum    1 weight  0.10000E+01 volume  0.10987E-02 ppm1      8.971 ppm2      5.576 CV     1
 ASSI {  859}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 41   and name HA  ))
      3.200     1.300     1.300 peak   859 spectrum    1 weight  0.10000E+01 volume  0.10901E-02 ppm1      9.309 ppm2      5.470 CV     1
 ASSI {  860}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 73   and name HB2 ))
      3.500     1.600     1.600 peak   860 spectrum    1 weight  0.10000E+01 volume  0.10876E-02 ppm1      9.449 ppm2      1.556 CV     1
 ASSI {  861}
   (( segid " 1SG" and resid 20   and name HN  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      2.800     2.800     3.200 peak   861 spectrum    1 weight  0.10000E+01 volume  0.10865E-02 ppm1      8.825 ppm2      1.280 CV     1
 ASSI {  863}
   (( segid " 1SG" and resid 16   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      4.200     2.200     1.800 peak   863 spectrum    1 weight  0.10000E+01 volume  0.10846E-02 ppm1      8.593 ppm2      0.375 CV     1
 ASSI {  864}
   (( segid " 1SG" and resid 26   and name HN  ))
   (( segid " 1SG" and resid 73   and name HA  ))
      3.700     1.700     1.700 peak   864 spectrum    1 weight  0.10000E+01 volume  0.10823E-02 ppm1      9.497 ppm2      5.471 CV     1
 ASSI {  865}
   (( segid " 1SG" and resid 46   and name HN  ))
   (  segid " 1SG" and resid 47   and name HG1%)
      4.400     2.400     1.600 peak   865 spectrum    1 weight  0.10000E+01 volume  0.10818E-02 ppm1      8.216 ppm2      0.967 CV     1
 ASSI {  866}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 46   and name HA  ))
      3.600     1.600     1.600 peak   866 spectrum    1 weight  0.10000E+01 volume  0.10802E-02 ppm1      7.291 ppm2      4.989 CV     1
 ASSI {  872}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 52   and name HB2 ))
      2.900     1.000     1.000 peak   872 spectrum    1 weight  0.10000E+01 volume  0.10741E-02 ppm1      6.764 ppm2      1.716 CV     1
 ASSI {  873}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 76   and name HG12))
      4.200     2.200     1.800 peak   873 spectrum    1 weight  0.10000E+01 volume  0.10732E-02 ppm1      7.198 ppm2      1.092 CV     1
 ASSI {  874}
   (( segid " 1SG" and resid 71   and name HN  ))
   (  segid " 1SG" and resid 63   and name HD% )
      2.800     2.800     3.200 peak   874 spectrum    1 weight  0.10000E+01 volume  0.10706E-02 ppm1      8.724 ppm2      5.900 CV     1
 ASSI {  875}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 104  and name HB2 ))
      3.800     1.800     1.800 peak   875 spectrum    1 weight  0.10000E+01 volume  0.10699E-02 ppm1      8.793 ppm2      1.229 CV     1
 ASSI {  877}
   (( segid " 1SG" and resid 24   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD2%)
      4.300     2.300     1.700 peak   877 spectrum    1 weight  0.10000E+01 volume  0.10672E-02 ppm1      9.239 ppm2      0.410 CV     1
 OR {  877}
   (( segid " 1SG" and resid 24   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI {  879}
   (( segid " 1SG" and resid 96   and name HN  ))
   (  segid " 1SG" and resid 93   and name HG2%)
      2.800     2.800     3.200 peak   879 spectrum    1 weight  0.10000E+01 volume  0.10642E-02 ppm1      7.548 ppm2      1.025 CV     1
 ASSI {  880}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 78   and name HA  ))
      3.500     1.500     1.500 peak   880 spectrum    1 weight  0.10000E+01 volume  0.10633E-02 ppm1      8.826 ppm2      4.088 CV     1
 ASSI {  881}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 41   and name HB2 ))
      2.900     1.100     1.100 peak   881 spectrum    1 weight  0.10000E+01 volume  0.10625E-02 ppm1      9.312 ppm2      3.155 CV     1
 ASSI {  885}
   (( segid " 1SG" and resid 86   and name HN  ))
   (( segid " 1SG" and resid 87   and name HN  ))
      3.400     1.500     1.500 peak   885 spectrum    1 weight  0.10000E+01 volume  0.10563E-02 ppm1      7.947 ppm2      9.112 CV     1
 ASSI {  886}
   (( segid " 1SG" and resid 24   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
      4.600     2.600     1.400 peak   886 spectrum    1 weight  0.10000E+01 volume  0.10557E-02 ppm1      9.239 ppm2      0.619 CV     1
 OR {  886}
   (( segid " 1SG" and resid 24   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI {  888}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 105  and name HA  ))
      3.200     1.300     1.300 peak   888 spectrum    1 weight  0.10000E+01 volume  0.10539E-02 ppm1      8.397 ppm2      4.536 CV     1
 ASSI {  889}
   (( segid " 1SG" and resid 58   and name HE22))
   (  segid " 1SG" and resid 77   and name HG2%)
      3.400     1.500     1.500 peak   889 spectrum    1 weight  0.10000E+01 volume  0.10507E-02 ppm1      6.684 ppm2      1.034 CV     1
 ASSI {  890}
   (( segid " 1SG" and resid 58   and name HN  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      4.100     2.100     1.900 peak   890 spectrum    1 weight  0.10000E+01 volume  0.10498E-02 ppm1      8.939 ppm2      1.056 CV     1
 ASSI {  891}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 38   and name HN  ))
      4.000     2.000     2.000 peak   891 spectrum    1 weight  0.10000E+01 volume  0.10486E-02 ppm1      7.893 ppm2      8.374 CV     1
 ASSI {  892}
   (( segid " 1SG" and resid 14   and name HN  ))
   (  segid " 1SG" and resid 22   and name HD1%)
      4.200     2.200     1.800 peak   892 spectrum    1 weight  0.10000E+01 volume  0.10482E-02 ppm1      9.186 ppm2      0.528 CV     1
 ASSI {  894}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 28   and name HA  ))
      3.200     1.300     1.300 peak   894 spectrum    1 weight  0.10000E+01 volume  0.10455E-02 ppm1      9.673 ppm2      4.901 CV     1
 ASSI {  896}
   (( segid " 1SG" and resid 98   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.700     1.700     1.700 peak   896 spectrum    1 weight  0.10000E+01 volume  0.10451E-02 ppm1      8.417 ppm2      0.476 CV     1
 ASSI {  897}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 45   and name HA  ))
      4.500     2.500     1.500 peak   897 spectrum    1 weight  0.10000E+01 volume  0.10446E-02 ppm1      7.291 ppm2      3.498 CV     1
 ASSI {  899}
   (( segid " 1SG" and resid 80   and name HE21))
   (  segid " 1SG" and resid 18   and name HG1%)
      4.600     2.600     1.400 peak   899 spectrum    1 weight  0.10000E+01 volume  0.10435E-02 ppm1      6.984 ppm2      0.990 CV     1
 ASSI {  900}
   (( segid " 1SG" and resid 85   and name HN  ))
   (  segid " 1SG" and resid 87   and name HE% )
      3.900     1.900     1.900 peak   900 spectrum    1 weight  0.10000E+01 volume  0.10429E-02 ppm1      9.408 ppm2      6.590 CV     1
 ASSI {  902}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 14   and name HN  ))
      4.100     2.100     1.900 peak   902 spectrum    1 weight  0.10000E+01 volume  0.10419E-02 ppm1      8.503 ppm2      9.185 CV     1
 ASSI {  905}
   (( segid " 1SG" and resid 8    and name HN  ))
   (( segid " 1SG" and resid 28   and name HA  ))
      3.400     1.400     1.400 peak   905 spectrum    1 weight  0.10000E+01 volume  0.10388E-02 ppm1      9.051 ppm2      4.900 CV     1
 ASSI {  906}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 61   and name HN  ))
      4.100     2.100     1.900 peak   906 spectrum    1 weight  0.10000E+01 volume  0.10376E-02 ppm1      8.846 ppm2      8.182 CV     1
 ASSI {  911}
   (( segid " 1SG" and resid 7    and name HN  ))
   (( segid " 1SG" and resid 7    and name HA  ))
      3.400     1.500     1.500 peak   911 spectrum    1 weight  0.10000E+01 volume  0.10299E-02 ppm1      8.874 ppm2      4.632 CV     1
 ASSI {  913}
   (( segid " 1SG" and resid 100  and name HN  ))
   (( segid " 1SG" and resid 90   and name HB2 ))
      3.700     3.700     2.300 peak   913 spectrum    1 weight  0.10000E+01 volume  0.10269E-02 ppm1      8.888 ppm2      2.040 CV     1
 ASSI {  914}
   (( segid " 1SG" and resid 100  and name HN  ))
   (( segid " 1SG" and resid 99   and name HB2 ))
      3.600     1.600     1.600 peak   914 spectrum    1 weight  0.10000E+01 volume  0.10243E-02 ppm1      8.896 ppm2      2.735 CV     1
 ASSI {  915}
   (( segid " 1SG" and resid 68   and name HN  ))
   (( segid " 1SG" and resid 67   and name HB2 ))
      3.900     1.900     1.900 peak   915 spectrum    1 weight  0.10000E+01 volume  0.10216E-02 ppm1      7.872 ppm2      3.727 CV     1
 OR {  915}
   (( segid " 1SG" and resid 68   and name HN  ))
   (( segid " 1SG" and resid 67   and name HB1 ))
 ASSI {  916}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 36   and name HD2 ))
      4.400     2.500     1.600 peak   916 spectrum    1 weight  0.10000E+01 volume  0.10200E-02 ppm1      7.511 ppm2      3.495 CV     1
 ASSI {  919}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 103  and name HD22))
      3.600     1.700     1.700 peak   919 spectrum    1 weight  0.10000E+01 volume  0.10165E-02 ppm1      9.241 ppm2      6.759 CV     1
 ASSI {  920}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 16   and name HN  ))
      3.900     1.900     1.900 peak   920 spectrum    1 weight  0.10000E+01 volume  0.10164E-02 ppm1      8.401 ppm2      8.591 CV     1
 ASSI {  922}
   (( segid " 1SG" and resid 84   and name HN  ))
   (( segid " 1SG" and resid 106  and name HB  ))
      4.200     2.200     1.800 peak   922 spectrum    1 weight  0.10000E+01 volume  0.10138E-02 ppm1      7.867 ppm2      1.848 CV     1
 ASSI {  929}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 62   and name HB2 ))
      3.300     1.400     1.400 peak   929 spectrum    1 weight  0.10000E+01 volume  0.10078E-02 ppm1      8.847 ppm2      3.809 CV     1
 ASSI {  930}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 43   and name HN  ))
      3.300     1.400     1.400 peak   930 spectrum    1 weight  0.10000E+01 volume  0.10069E-02 ppm1      7.291 ppm2      8.632 CV     1
 ASSI {  931}
   (( segid " 1SG" and resid 59   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
      3.500     1.600     1.600 peak   931 spectrum    1 weight  0.10000E+01 volume  0.10066E-02 ppm1      8.380 ppm2      0.601 CV     1
 OR {  931}
   (( segid " 1SG" and resid 59   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI {  939}
   (( segid " 1SG" and resid 84   and name HN  ))
   (( segid " 1SG" and resid 81   and name HA  ))
      4.700     2.800     1.300 peak   939 spectrum    1 weight  0.10000E+01 volume  0.99878E-03 ppm1      7.866 ppm2      3.996 CV     1
 ASSI {  940}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 96   and name HG1 ))
      3.100     1.200     1.200 peak   940 spectrum    1 weight  0.10000E+01 volume  0.99872E-03 ppm1      8.106 ppm2      1.324 CV     1
 OR {  940}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 96   and name HG2 ))
 ASSI {  941}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 25   and name HA  ))
      3.700     1.700     1.700 peak   941 spectrum    1 weight  0.10000E+01 volume  0.99791E-03 ppm1      8.472 ppm2      5.686 CV     1
 ASSI {  943}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 43   and name HG2 ))
      3.200     1.300     1.300 peak   943 spectrum    1 weight  0.10000E+01 volume  0.99214E-03 ppm1      8.211 ppm2      0.071 CV     1
 ASSI {  944}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 59   and name HN  ))
      3.600     1.600     1.600 peak   944 spectrum    1 weight  0.10000E+01 volume  0.98631E-03 ppm1      8.685 ppm2      8.389 CV     1
 ASSI {  946}
   (( segid " 1SG" and resid 90   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG2%)
      4.400     2.400     1.600 peak   946 spectrum    1 weight  0.10000E+01 volume  0.97997E-03 ppm1      9.489 ppm2     -0.473 CV     1
 ASSI {  947}
   (( segid " 1SG" and resid 23   and name HN  ))
   (( segid " 1SG" and resid 22   and name HN  ))
      3.900     1.900     1.900 peak   947 spectrum    1 weight  0.10000E+01 volume  0.97772E-03 ppm1      7.911 ppm2      8.899 CV     1
 ASSI {  951}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 73   and name HB2 ))
      3.900     1.900     1.900 peak   951 spectrum    1 weight  0.10000E+01 volume  0.97229E-03 ppm1      8.467 ppm2      1.552 CV     1
 ASSI {  952}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 72   and name HB2 ))
      4.000     2.000     2.000 peak   952 spectrum    1 weight  0.10000E+01 volume  0.97120E-03 ppm1      8.896 ppm2      2.884 CV     1
 ASSI {  953}
   (( segid " 1SG" and resid 82   and name HN  ))
   (( segid " 1SG" and resid 82   and name HA  ))
      3.500     1.600     1.600 peak   953 spectrum    1 weight  0.10000E+01 volume  0.97073E-03 ppm1      8.017 ppm2      4.202 CV     1
 ASSI {  955}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 91   and name HB  ))
      4.200     2.200     1.800 peak   955 spectrum    1 weight  0.10000E+01 volume  0.96964E-03 ppm1      8.733 ppm2      1.128 CV     1
 ASSI {  958}
   (( segid " 1SG" and resid 18   and name HN  ))
   (( segid " 1SG" and resid 19   and name HN  ))
      4.100     2.100     1.900 peak   958 spectrum    1 weight  0.10000E+01 volume  0.96392E-03 ppm1      8.005 ppm2      9.828 CV     1
 ASSI {  963}
   (( segid " 1SG" and resid 72   and name HN  ))
   (( segid " 1SG" and resid 72   and name HA  ))
      3.100     1.200     1.200 peak   963 spectrum    1 weight  0.10000E+01 volume  0.95919E-03 ppm1      9.295 ppm2      5.368 CV     1
 ASSI {  964}
   (( segid " 1SG" and resid 87   and name HN  ))
   (( segid " 1SG" and resid 87   and name HA  ))
      3.300     1.400     1.400 peak   964 spectrum    1 weight  0.10000E+01 volume  0.95775E-03 ppm1      9.110 ppm2      4.975 CV     1
 ASSI {  967}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 17   and name HN  ))
      4.100     2.100     1.900 peak   967 spectrum    1 weight  0.10000E+01 volume  0.95417E-03 ppm1      8.592 ppm2      7.900 CV     1
 ASSI {  968}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 40   and name HN  ))
      4.000     2.000     2.000 peak   968 spectrum    1 weight  0.10000E+01 volume  0.95169E-03 ppm1      7.893 ppm2      8.706 CV     1
 ASSI {  971}
   (( segid " 1SG" and resid 33   and name HN  ))
   (  segid " 1SG" and resid 33   and name HD2%)
      3.600     1.600     1.600 peak   971 spectrum    1 weight  0.10000E+01 volume  0.94881E-03 ppm1      7.611 ppm2      0.876 CV     1
 OR {  971}
   (( segid " 1SG" and resid 33   and name HN  ))
   (  segid " 1SG" and resid 33   and name HD1%)
 ASSI {  972}
   (( segid " 1SG" and resid 72   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD2%)
      4.300     2.300     1.700 peak   972 spectrum    1 weight  0.10000E+01 volume  0.94852E-03 ppm1      9.295 ppm2      0.738 CV     1
 ASSI {  973}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 104  and name HG  ))
      3.400     1.400     1.400 peak   973 spectrum    1 weight  0.10000E+01 volume  0.94817E-03 ppm1      8.401 ppm2      1.329 CV     1
 ASSI {  975}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 42   and name HN  ))
      3.200     1.300     1.300 peak   975 spectrum    1 weight  0.10000E+01 volume  0.94586E-03 ppm1      9.108 ppm2      9.450 CV     1
 ASSI {  976}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 74   and name HB2 ))
      4.100     2.100     1.900 peak   976 spectrum    1 weight  0.10000E+01 volume  0.94419E-03 ppm1      9.150 ppm2     -0.838 CV     1
 ASSI {  977}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 87   and name HB2 ))
      4.000     2.000     2.000 peak   977 spectrum    1 weight  0.10000E+01 volume  0.93929E-03 ppm1      9.107 ppm2      0.710 CV     1
 ASSI {  979}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 46   and name HB2 ))
      4.000     2.000     2.000 peak   979 spectrum    1 weight  0.10000E+01 volume  0.93478E-03 ppm1      7.292 ppm2      3.055 CV     1
 ASSI {  980}
   (( segid " 1SG" and resid 10   and name HN  ))
   (( segid " 1SG" and resid 9    and name HG2 ))
      3.800     1.800     1.800 peak   980 spectrum    1 weight  0.10000E+01 volume  0.93461E-03 ppm1      8.851 ppm2      2.507 CV     1
 ASSI {  984}
   (( segid " 1SG" and resid 107  and name HN  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      4.400     2.500     1.600 peak   984 spectrum    1 weight  0.10000E+01 volume  0.92751E-03 ppm1      8.820 ppm2      1.285 CV     1
 ASSI {  990}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 77   and name HN  ))
      4.000     2.000     2.000 peak   990 spectrum    1 weight  0.10000E+01 volume  0.92105E-03 ppm1      8.053 ppm2      8.718 CV     1
 ASSI {  991}
   (( segid " 1SG" and resid 97   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.900     1.900     1.900 peak   991 spectrum    1 weight  0.10000E+01 volume  0.92071E-03 ppm1      8.063 ppm2      0.474 CV     1
 ASSI {  992}
   (( segid " 1SG" and resid 90   and name HN  ))
   (( segid " 1SG" and resid 90   and name HB2 ))
      3.500     1.500     1.500 peak   992 spectrum    1 weight  0.10000E+01 volume  0.92036E-03 ppm1      9.489 ppm2      2.034 CV     1
 ASSI {  994}
   (( segid " 1SG" and resid 22   and name HN  ))
   (  segid " 1SG" and resid 77   and name HG2%)
      3.900     1.900     1.900 peak   994 spectrum    1 weight  0.10000E+01 volume  0.91788E-03 ppm1      8.888 ppm2      1.018 CV     1
 ASSI {  997}
   (( segid " 1SG" and resid 20   and name HN  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      3.600     1.600     1.600 peak   997 spectrum    1 weight  0.10000E+01 volume  0.91534E-03 ppm1      8.825 ppm2      0.602 CV     1
 ASSI {  998}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 18   and name HA  ))
      3.900     1.900     1.900 peak   998 spectrum    1 weight  0.10000E+01 volume  0.90893E-03 ppm1      8.973 ppm2      3.481 CV     1
 ASSI { 1001}
   (( segid " 1SG" and resid 28   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG2%)
      4.000     2.000     2.000 peak  1001 spectrum    1 weight  0.10000E+01 volume  0.90570E-03 ppm1      9.673 ppm2      0.941 CV     1
 OR { 1001}
   (( segid " 1SG" and resid 28   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG1%)
 ASSI { 1002}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 2    and name HA  ))
      3.700     1.700     1.700 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.90432E-03 ppm1      8.264 ppm2      4.901 CV     1
 ASSI { 1003}
   (( segid " 1SG" and resid 105  and name HN  ))
   (  segid " 1SG" and resid 104  and name HD2%)
      4.400     2.500     1.600 peak  1003 spectrum    1 weight  0.10000E+01 volume  0.89716E-03 ppm1      8.399 ppm2      0.818 CV     1
 ASSI { 1004}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 57   and name HG  ))
      3.900     1.900     1.900 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.89647E-03 ppm1      6.764 ppm2      0.753 CV     1
 ASSI { 1008}
   (( segid " 1SG" and resid 78   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      4.300     2.400     1.700 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.89387E-03 ppm1      8.053 ppm2      1.176 CV     1
 ASSI { 1009}
   (( segid " 1SG" and resid 27   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG2%)
      4.500     2.500     1.500 peak  1009 spectrum    1 weight  0.10000E+01 volume  0.89370E-03 ppm1      8.893 ppm2      0.948 CV     1
 OR { 1009}
   (( segid " 1SG" and resid 27   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG1%)
 ASSI { 1013}
   (( segid " 1SG" and resid 46   and name HN  ))
   (( segid " 1SG" and resid 46   and name HA  ))
      3.400     1.400     1.400 peak  1013 spectrum    1 weight  0.10000E+01 volume  0.89168E-03 ppm1      8.217 ppm2      4.976 CV     1
 ASSI { 1014}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 21   and name HN  ))
      4.000     2.000     2.000 peak  1014 spectrum    1 weight  0.10000E+01 volume  0.89116E-03 ppm1      8.891 ppm2      8.169 CV     1
 ASSI { 1015}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 74   and name HA  ))
      3.300     1.300     1.300 peak  1015 spectrum    1 weight  0.10000E+01 volume  0.89064E-03 ppm1      8.470 ppm2      4.333 CV     1
 ASSI { 1016}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (  segid " 1SG" and resid 47   and name HG1%)
      4.000     2.000     2.000 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.88926E-03 ppm1     10.115 ppm2      0.962 CV     1
 ASSI { 1017}
   (( segid " 1SG" and resid 38   and name HN  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      3.600     1.600     1.600 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.88631E-03 ppm1      8.375 ppm2      0.173 CV     1
 ASSI { 1018}
   (( segid " 1SG" and resid 98   and name HN  ))
   (  segid " 1SG" and resid 97   and name HD% )
      3.800     1.800     1.800 peak  1018 spectrum    1 weight  0.10000E+01 volume  0.88435E-03 ppm1      8.417 ppm2      7.087 CV     1
 ASSI { 1019}
   (( segid " 1SG" and resid 104  and name HN  ))
   (  segid " 1SG" and resid 104  and name HD2%)
      4.200     2.200     1.800 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.88170E-03 ppm1      8.795 ppm2      0.813 CV     1
 ASSI { 1020}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 57   and name HN  ))
      3.200     1.300     1.300 peak  1020 spectrum    1 weight  0.10000E+01 volume  0.88112E-03 ppm1      7.433 ppm2      7.207 CV     1
 ASSI { 1022}
   (( segid " 1SG" and resid 101  and name HN  ))
   (( segid " 1SG" and resid 101  and name HB2 ))
      4.100     2.100     1.900 peak  1022 spectrum    1 weight  0.10000E+01 volume  0.87945E-03 ppm1      9.044 ppm2      2.699 CV     1
 ASSI { 1023}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 58   and name HN  ))
      3.900     1.900     1.900 peak  1023 spectrum    1 weight  0.10000E+01 volume  0.87893E-03 ppm1      8.380 ppm2      8.945 CV     1
 ASSI { 1026}
   (( segid " 1SG" and resid 91   and name HN  ))
   (( segid " 1SG" and resid 99   and name HA  ))
      3.900     1.900     1.900 peak  1026 spectrum    1 weight  0.10000E+01 volume  0.87466E-03 ppm1      8.474 ppm2      5.702 CV     1
 ASSI { 1027}
   (( segid " 1SG" and resid 18   and name HN  ))
   (( segid " 1SG" and resid 107  and name HB1 ))
      4.100     2.100     1.900 peak  1027 spectrum    1 weight  0.10000E+01 volume  0.87408E-03 ppm1      8.006 ppm2      3.075 CV     1
 OR { 1027}
   (( segid " 1SG" and resid 18   and name HN  ))
   (( segid " 1SG" and resid 107  and name HB2 ))
 ASSI { 1028}
   (( segid " 1SG" and resid 12   and name HN  ))
   (( segid " 1SG" and resid 11   and name HB2 ))
      3.500     1.600     1.600 peak  1028 spectrum    1 weight  0.10000E+01 volume  0.87241E-03 ppm1      8.345 ppm2      0.920 CV     1
 ASSI { 1029}
   (( segid " 1SG" and resid 42   and name HN  ))
   (( segid " 1SG" and resid 42   and name HB2 ))
      3.500     1.500     1.500 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.87235E-03 ppm1      9.448 ppm2      2.466 CV     1
 ASSI { 1031}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 70   and name HN  ))
      3.900     1.900     1.900 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.87108E-03 ppm1      6.898 ppm2      9.268 CV     1
 ASSI { 1035}
   (( segid " 1SG" and resid 84   and name HN  ))
   (( segid " 1SG" and resid 106  and name HN  ))
      3.900     1.900     1.900 peak  1035 spectrum    1 weight  0.10000E+01 volume  0.86595E-03 ppm1      7.865 ppm2      8.160 CV     1
 ASSI { 1036}
   (( segid " 1SG" and resid 51   and name HN  ))
   (( segid " 1SG" and resid 49   and name HA  ))
      3.700     1.700     1.700 peak  1036 spectrum    1 weight  0.10000E+01 volume  0.86335E-03 ppm1      7.877 ppm2      3.864 CV     1
 ASSI { 1039}
   (( segid " 1SG" and resid 65   and name HN  ))
   (  segid " 1SG" and resid 66   and name HB% )
      4.500     2.500     1.500 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.85954E-03 ppm1      8.306 ppm2      1.408 CV     1
 ASSI { 1040}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      4.200     2.200     1.800 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.85885E-03 ppm1      8.721 ppm2      2.808 CV     1
 ASSI { 1041}
   (( segid " 1SG" and resid 70   and name HN  ))
   (( segid " 1SG" and resid 69   and name HB  ))
      3.800     1.800     1.800 peak  1041 spectrum    1 weight  0.10000E+01 volume  0.85625E-03 ppm1      9.274 ppm2      1.751 CV     1
 ASSI { 1042}
   (( segid " 1SG" and resid 84   and name HN  ))
   (( segid " 1SG" and resid 83   and name HB2 ))
      3.900     1.900     1.900 peak  1042 spectrum    1 weight  0.10000E+01 volume  0.85585E-03 ppm1      7.868 ppm2      3.172 CV     1
 ASSI { 1043}
   (( segid " 1SG" and resid 30   and name HN  ))
   (  segid " 1SG" and resid 70   and name HD% )
      3.800     1.800     1.800 peak  1043 spectrum    1 weight  0.10000E+01 volume  0.85464E-03 ppm1      8.592 ppm2      7.062 CV     1
 ASSI { 1045}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 81   and name HA  ))
      3.700     1.700     1.700 peak  1045 spectrum    1 weight  0.10000E+01 volume  0.85008E-03 ppm1      8.255 ppm2      3.992 CV     1
 ASSI { 1046}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 99   and name HA  ))
      3.500     1.500     1.500 peak  1046 spectrum    1 weight  0.10000E+01 volume  0.84685E-03 ppm1      9.230 ppm2      5.702 CV     1
 ASSI { 1047}
   (( segid " 1SG" and resid 84   and name HN  ))
   (  segid " 1SG" and resid 104  and name HD2%)
      4.000     2.000     2.000 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.84656E-03 ppm1      7.867 ppm2      0.812 CV     1
 ASSI { 1049}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 54   and name HN  ))
      3.600     1.600     1.600 peak  1049 spectrum    1 weight  0.10000E+01 volume  0.84396E-03 ppm1      7.434 ppm2      9.012 CV     1
 ASSI { 1051}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 19   and name HA1 ))
      4.800     2.900     1.200 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.84217E-03 ppm1      8.051 ppm2      4.254 CV     1
 ASSI { 1052}
   (( segid " 1SG" and resid 46   and name HN  ))
   (( segid " 1SG" and resid 46   and name HB2 ))
      4.100     2.100     1.900 peak  1052 spectrum    1 weight  0.10000E+01 volume  0.84079E-03 ppm1      8.216 ppm2      3.056 CV     1
 ASSI { 1054}
   (( segid " 1SG" and resid 62   and name HN  ))
   (  segid " 1SG" and resid 72   and name HD% )
      4.200     2.200     1.800 peak  1054 spectrum    1 weight  0.10000E+01 volume  0.83813E-03 ppm1      8.848 ppm2      7.306 CV     1
 ASSI { 1055}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HD2 ))
      3.600     1.600     1.600 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.83767E-03 ppm1      8.305 ppm2      3.228 CV     1
 OR { 1055}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HD1 ))
 ASSI { 1057}
   (( segid " 1SG" and resid 72   and name HN  ))
   (  segid " 1SG" and resid 26   and name HB% )
      3.700     1.800     1.800 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.83594E-03 ppm1      9.293 ppm2      1.455 CV     1
 ASSI { 1059}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 23   and name HB  ))
      4.300     2.300     1.700 peak  1059 spectrum    1 weight  0.10000E+01 volume  0.83248E-03 ppm1      9.239 ppm2      3.585 CV     1
 ASSI { 1060}
   (( segid " 1SG" and resid 70   and name HN  ))
   (( segid " 1SG" and resid 28   and name HN  ))
      3.400     1.400     1.400 peak  1060 spectrum    1 weight  0.10000E+01 volume  0.83207E-03 ppm1      9.269 ppm2      9.678 CV     1
 ASSI { 1061}
   (( segid " 1SG" and resid 46   and name HN  ))
   (( segid " 1SG" and resid 45   and name HB2 ))
      3.800     1.800     1.800 peak  1061 spectrum    1 weight  0.10000E+01 volume  0.83092E-03 ppm1      8.213 ppm2      0.596 CV     1
 OR { 1061}
   (( segid " 1SG" and resid 46   and name HN  ))
   (( segid " 1SG" and resid 45   and name HG2 ))
 ASSI { 1062}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 74   and name HA  ))
      3.700     1.700     1.700 peak  1062 spectrum    1 weight  0.10000E+01 volume  0.82977E-03 ppm1      8.687 ppm2      4.333 CV     1
 ASSI { 1065}
   (( segid " 1SG" and resid 85   and name HN  ))
   (( segid " 1SG" and resid 104  and name HG  ))
      3.700     1.700     1.700 peak  1065 spectrum    1 weight  0.10000E+01 volume  0.82532E-03 ppm1      9.407 ppm2      1.334 CV     1
 ASSI { 1071}
   (( segid " 1SG" and resid 7    and name HN  ))
   (( segid " 1SG" and resid 6    and name HA  ))
      3.600     1.600     1.600 peak  1071 spectrum    1 weight  0.10000E+01 volume  0.81857E-03 ppm1      8.878 ppm2      4.443 CV     1
 ASSI { 1077}
   (( segid " 1SG" and resid 62   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD2%)
      4.100     2.100     1.900 peak  1077 spectrum    1 weight  0.10000E+01 volume  0.80940E-03 ppm1      8.848 ppm2      0.735 CV     1
 ASSI { 1078}
   (( segid " 1SG" and resid 72   and name HN  ))
   (( segid " 1SG" and resid 27   and name HA  ))
      4.000     2.000     2.000 peak  1078 spectrum    1 weight  0.10000E+01 volume  0.80876E-03 ppm1      9.296 ppm2      5.831 CV     1
 ASSI { 1079}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 67   and name HB2 ))
      4.000     2.000     2.000 peak  1079 spectrum    1 weight  0.10000E+01 volume  0.80755E-03 ppm1      6.900 ppm2      3.732 CV     1
 OR { 1079}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 67   and name HB1 ))
 ASSI { 1080}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 55   and name HA  ))
      3.600     1.600     1.600 peak  1080 spectrum    1 weight  0.10000E+01 volume  0.80674E-03 ppm1      7.434 ppm2      3.988 CV     1
 ASSI { 1081}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 105  and name HB  ))
      4.100     2.100     1.900 peak  1081 spectrum    1 weight  0.10000E+01 volume  0.80640E-03 ppm1      8.593 ppm2      3.930 CV     1
 ASSI { 1082}
   (( segid " 1SG" and resid 77   and name HN  ))
   (( segid " 1SG" and resid 76   and name HB  ))
      4.100     2.100     1.900 peak  1082 spectrum    1 weight  0.10000E+01 volume  0.80617E-03 ppm1      8.711 ppm2      1.910 CV     1
 ASSI { 1083}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 21   and name HA  ))
      3.800     1.800     1.800 peak  1083 spectrum    1 weight  0.10000E+01 volume  0.80553E-03 ppm1      8.972 ppm2      5.495 CV     1
 ASSI { 1084}
   (( segid " 1SG" and resid 80   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      4.100     2.100     1.900 peak  1084 spectrum    1 weight  0.10000E+01 volume  0.80524E-03 ppm1      5.579 ppm2      1.174 CV     1
 ASSI { 1086}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 58   and name HA  ))
      3.500     1.600     1.600 peak  1086 spectrum    1 weight  0.10000E+01 volume  0.80420E-03 ppm1      9.017 ppm2      4.624 CV     1
 ASSI { 1088}
   (( segid " 1SG" and resid 85   and name HN  ))
   (  segid " 1SG" and resid 104  and name HD2%)
      3.300     1.400     1.400 peak  1088 spectrum    1 weight  0.10000E+01 volume  0.80230E-03 ppm1      9.407 ppm2      0.814 CV     1
 ASSI { 1092}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 72   and name HB2 ))
      4.300     2.400     1.700 peak  1092 spectrum    1 weight  0.10000E+01 volume  0.79780E-03 ppm1      9.451 ppm2      2.893 CV     1
 ASSI { 1095}
   (( segid " 1SG" and resid 90   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG1%)
      2.800     1.000     1.000 peak  1095 spectrum    1 weight  0.10000E+01 volume  0.37122E-02 ppm1      9.489 ppm2     -0.081 CV     1
 ASSI { 1099}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 46   and name HD1 ))
      3.900     1.900     1.900 peak  1099 spectrum    1 weight  0.10000E+01 volume  0.78655E-03 ppm1      7.291 ppm2      7.129 CV     1
 ASSI { 1101}
   (( segid " 1SG" and resid 43   and name HN  ))
   (  segid " 1SG" and resid 42   and name HD% )
      3.600     1.600     1.600 peak  1101 spectrum    1 weight  0.10000E+01 volume  0.78505E-03 ppm1      8.628 ppm2      6.700 CV     1
 ASSI { 1102}
   (( segid " 1SG" and resid 93   and name HN  ))
   (( segid " 1SG" and resid 92   and name HN  ))
      4.000     2.000     2.000 peak  1102 spectrum    1 weight  0.10000E+01 volume  0.78453E-03 ppm1      8.556 ppm2      8.734 CV     1
 ASSI { 1105}
   (( segid " 1SG" and resid 48   and name HN  ))
   (  segid " 1SG" and resid 42   and name HD% )
      4.100     2.100     1.900 peak  1105 spectrum    1 weight  0.10000E+01 volume  0.77674E-03 ppm1      8.396 ppm2      6.693 CV     1
 ASSI { 1106}
   (( segid " 1SG" and resid 90   and name HN  ))
   (( segid " 1SG" and resid 89   and name HB2 ))
      4.400     2.400     1.600 peak  1106 spectrum    1 weight  0.10000E+01 volume  0.77662E-03 ppm1      9.488 ppm2      2.324 CV     1
 ASSI { 1109}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 89   and name HB2 ))
      3.500     1.500     1.500 peak  1109 spectrum    1 weight  0.10000E+01 volume  0.77443E-03 ppm1      8.977 ppm2      2.309 CV     1
 ASSI { 1114}
   (( segid " 1SG" and resid 40   and name HN  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      5.100     3.200     0.900 peak  1114 spectrum    1 weight  0.10000E+01 volume  0.76739E-03 ppm1      8.695 ppm2      0.172 CV     1
 ASSI { 1115}
   (( segid " 1SG" and resid 96   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.600     1.600     1.600 peak  1115 spectrum    1 weight  0.10000E+01 volume  0.76381E-03 ppm1      7.545 ppm2      0.466 CV     1
 ASSI { 1116}
   (( segid " 1SG" and resid 78   and name HN  ))
   (  segid " 1SG" and resid 76   and name HG2%)
      4.000     2.000     2.000 peak  1116 spectrum    1 weight  0.10000E+01 volume  0.76023E-03 ppm1      8.055 ppm2      0.789 CV     1
 ASSI { 1117}
   (( segid " 1SG" and resid 64   and name HN  ))
   (( segid " 1SG" and resid 63   and name HB2 ))
      4.900     3.000     1.100 peak  1117 spectrum    1 weight  0.10000E+01 volume  0.75873E-03 ppm1      7.754 ppm2      2.540 CV     1
 ASSI { 1118}
   (( segid " 1SG" and resid 33   and name HN  ))
   (( segid " 1SG" and resid 32   and name HA  ))
      3.700     1.700     1.700 peak  1118 spectrum    1 weight  0.10000E+01 volume  0.75758E-03 ppm1      7.614 ppm2      4.515 CV     1
 ASSI { 1119}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 72   and name HN  ))
      4.100     2.100     1.900 peak  1119 spectrum    1 weight  0.10000E+01 volume  0.75677E-03 ppm1      9.450 ppm2      9.298 CV     1
 ASSI { 1120}
   (( segid " 1SG" and resid 50   and name HN  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      4.000     2.000     2.000 peak  1120 spectrum    1 weight  0.10000E+01 volume  0.75429E-03 ppm1      8.939 ppm2      1.056 CV     1
 ASSI { 1122}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 40   and name HD2 ))
      3.900     3.900     2.100 peak  1122 spectrum    1 weight  0.10000E+01 volume  0.75239E-03 ppm1      8.978 ppm2      1.704 CV     1
 OR { 1122}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 40   and name HD1 ))
 ASSI { 1124}
   (( segid " 1SG" and resid 84   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      5.100     3.300     0.900 peak  1124 spectrum    1 weight  0.10000E+01 volume  0.75158E-03 ppm1      7.861 ppm2      0.372 CV     1
 ASSI { 1127}
   (( segid " 1SG" and resid 30   and name HN  ))
   (  segid " 1SG" and resid 70   and name HE% )
      4.000     2.000     2.000 peak  1127 spectrum    1 weight  0.10000E+01 volume  0.74789E-03 ppm1      8.590 ppm2      6.626 CV     1
 ASSI { 1128}
   (( segid " 1SG" and resid 6    and name HN  ))
   (  segid " 1SG" and resid 6    and name HD1%)
      4.300     2.300     1.700 peak  1128 spectrum    1 weight  0.10000E+01 volume  0.74667E-03 ppm1      8.452 ppm2      0.650 CV     1
 ASSI { 1130}
   (( segid " 1SG" and resid 52   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
      4.600     2.700     1.400 peak  1130 spectrum    1 weight  0.10000E+01 volume  0.74558E-03 ppm1      7.782 ppm2      0.598 CV     1
 OR { 1130}
   (( segid " 1SG" and resid 52   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI { 1134}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 43   and name HA  ))
      3.400     1.400     1.400 peak  1134 spectrum    1 weight  0.10000E+01 volume  0.74338E-03 ppm1      8.628 ppm2      4.137 CV     1
 ASSI { 1135}
   (( segid " 1SG" and resid 102  and name HN  ))
   (  segid " 1SG" and resid 102  and name HD% )
      3.600     1.600     1.600 peak  1135 spectrum    1 weight  0.10000E+01 volume  0.74321E-03 ppm1      8.559 ppm2      6.774 CV     1
 ASSI { 1136}
   (( segid " 1SG" and resid 85   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG1%)
      4.000     2.000     2.000 peak  1136 spectrum    1 weight  0.10000E+01 volume  0.74229E-03 ppm1      9.402 ppm2      0.679 CV     1
 ASSI { 1139}
   (( segid " 1SG" and resid 97   and name HN  ))
   (  segid " 1SG" and resid 97   and name HD% )
      4.500     2.500     1.500 peak  1139 spectrum    1 weight  0.10000E+01 volume  0.74108E-03 ppm1      8.059 ppm2      7.095 CV     1
 ASSI { 1147}
   (( segid " 1SG" and resid 6    and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      4.600     2.600     1.400 peak  1147 spectrum    1 weight  0.10000E+01 volume  0.73548E-03 ppm1      8.450 ppm2      0.473 CV     1
 ASSI { 1148}
   (( segid " 1SG" and resid 100  and name HN  ))
   (( segid " 1SG" and resid 100  and name HB2 ))
      4.000     2.000     2.000 peak  1148 spectrum    1 weight  0.10000E+01 volume  0.73467E-03 ppm1      8.896 ppm2      2.949 CV     1
 ASSI { 1149}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 94   and name HD2 ))
      2.600     2.600     3.400 peak  1149 spectrum    1 weight  0.10000E+01 volume  0.73334E-03 ppm1      7.966 ppm2      1.675 CV     1
 OR { 1149}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 94   and name HD1 ))
 ASSI { 1150}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 7    and name HB2 ))
      3.000     3.000     3.000 peak  1150 spectrum    1 weight  0.10000E+01 volume  0.73306E-03 ppm1      7.886 ppm2      2.575 CV     1
 ASSI { 1151}
   (( segid " 1SG" and resid 105  and name HN  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      4.100     2.100     1.900 peak  1151 spectrum    1 weight  0.10000E+01 volume  0.73236E-03 ppm1      8.397 ppm2      0.598 CV     1
 ASSI { 1153}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 49   and name HB2 ))
      4.800     2.800     1.200 peak  1153 spectrum    1 weight  0.10000E+01 volume  0.72832E-03 ppm1      6.765 ppm2      1.541 CV     1
 ASSI { 1154}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 104  and name HG  ))
      4.000     2.000     2.000 peak  1154 spectrum    1 weight  0.10000E+01 volume  0.72780E-03 ppm1      8.795 ppm2      1.331 CV     1
 ASSI { 1155}
   (( segid " 1SG" and resid 17   and name HN  ))
   (( segid " 1SG" and resid 20   and name HA1 ))
      3.600     1.700     1.700 peak  1155 spectrum    1 weight  0.10000E+01 volume  0.72538E-03 ppm1      7.901 ppm2      3.729 CV     1
 ASSI { 1156}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 94   and name HA  ))
      4.700     2.800     1.300 peak  1156 spectrum    1 weight  0.10000E+01 volume  0.72532E-03 ppm1      7.545 ppm2      4.046 CV     1
 ASSI { 1159}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (  segid " 1SG" and resid 47   and name HG2%)
      4.100     2.100     1.900 peak  1159 spectrum    1 weight  0.10000E+01 volume  0.72446E-03 ppm1     10.119 ppm2      0.784 CV     1
 ASSI { 1160}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 29   and name HN  ))
      4.100     2.100     1.900 peak  1160 spectrum    1 weight  0.10000E+01 volume  0.72330E-03 ppm1      9.673 ppm2      8.869 CV     1
 ASSI { 1161}
   (( segid " 1SG" and resid 21   and name HN  ))
   (( segid " 1SG" and resid 77   and name HA  ))
      4.700     2.800     1.300 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.72273E-03 ppm1      8.164 ppm2      4.654 CV     1
 ASSI { 1162}
   (( segid " 1SG" and resid 64   and name HN  ))
   (( segid " 1SG" and resid 68   and name HN  ))
      4.100     2.100     1.900 peak  1162 spectrum    1 weight  0.10000E+01 volume  0.72203E-03 ppm1      7.762 ppm2      7.885 CV     1
 ASSI { 1163}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 48   and name HB2 ))
      4.400     2.400     1.600 peak  1163 spectrum    1 weight  0.10000E+01 volume  0.72163E-03 ppm1      9.289 ppm2      2.942 CV     1
 ASSI { 1166}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 104  and name HB2 ))
      4.500     2.500     1.500 peak  1166 spectrum    1 weight  0.10000E+01 volume  0.71955E-03 ppm1      8.397 ppm2      1.239 CV     1
 ASSI { 1167}
   (( segid " 1SG" and resid 8    and name HN  ))
   (  segid " 1SG" and resid 7    and name HD% )
      4.800     2.900     1.200 peak  1167 spectrum    1 weight  0.10000E+01 volume  0.71805E-03 ppm1      9.051 ppm2      7.309 CV     1
 ASSI { 1168}
   (( segid " 1SG" and resid 67   and name HN  ))
   (  segid " 1SG" and resid 69   and name HG2%)
      4.000     2.000     2.000 peak  1168 spectrum    1 weight  0.10000E+01 volume  0.71794E-03 ppm1      7.424 ppm2      0.850 CV     1
 OR { 1168}
   (( segid " 1SG" and resid 67   and name HN  ))
   (  segid " 1SG" and resid 69   and name HG1%)
 ASSI { 1170}
   (( segid " 1SG" and resid 12   and name HE21))
   (  segid " 1SG" and resid 102  and name HE% )
      4.100     2.100     1.900 peak  1170 spectrum    1 weight  0.10000E+01 volume  0.71725E-03 ppm1      7.462 ppm2      7.083 CV     1
 ASSI { 1172}
   (( segid " 1SG" and resid 86   and name HN  ))
   (( segid " 1SG" and resid 85   and name HN  ))
      4.100     2.100     1.900 peak  1172 spectrum    1 weight  0.10000E+01 volume  0.71707E-03 ppm1      7.948 ppm2      9.406 CV     1
 ASSI { 1173}
   (( segid " 1SG" and resid 90   and name HN  ))
   (( segid " 1SG" and resid 41   and name HA  ))
      4.200     2.200     1.800 peak  1173 spectrum    1 weight  0.10000E+01 volume  0.71511E-03 ppm1      9.490 ppm2      5.471 CV     1
 ASSI { 1174}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB2 ))
      4.700     2.700     1.300 peak  1174 spectrum    1 weight  0.10000E+01 volume  0.71505E-03 ppm1      7.198 ppm2      2.395 CV     1
 OR { 1174}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB1 ))
 ASSI { 1175}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 73   and name HB2 ))
      3.700     1.700     1.700 peak  1175 spectrum    1 weight  0.10000E+01 volume  0.71499E-03 ppm1      8.688 ppm2      1.552 CV     1
 ASSI { 1177}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 43   and name HD1 ))
      4.600     2.600     1.400 peak  1177 spectrum    1 weight  0.10000E+01 volume  0.71424E-03 ppm1      8.632 ppm2      1.317 CV     1
 OR { 1177}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 43   and name HD2 ))
 ASSI { 1181}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 99   and name HB2 ))
      3.800     1.800     1.800 peak  1181 spectrum    1 weight  0.10000E+01 volume  0.71072E-03 ppm1      9.230 ppm2      2.737 CV     1
 ASSI { 1183}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HA  ))
      3.400     1.400     1.400 peak  1183 spectrum    1 weight  0.10000E+01 volume  0.71044E-03 ppm1      8.888 ppm2      5.828 CV     1
 ASSI { 1184}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 105  and name HN  ))
      3.900     1.900     1.900 peak  1184 spectrum    1 weight  0.10000E+01 volume  0.71038E-03 ppm1      9.178 ppm2      8.396 CV     1
 ASSI { 1187}
   (( segid " 1SG" and resid 17   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      4.500     2.500     1.500 peak  1187 spectrum    1 weight  0.10000E+01 volume  0.70940E-03 ppm1      7.900 ppm2      1.179 CV     1
 ASSI { 1192}
   (( segid " 1SG" and resid 9    and name HN  ))
   (  segid " 1SG" and resid 7    and name HD% )
      4.200     2.200     1.800 peak  1192 spectrum    1 weight  0.10000E+01 volume  0.70709E-03 ppm1      7.892 ppm2      7.309 CV     1
 ASSI { 1193}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 96   and name HG1 ))
      4.800     2.900     1.200 peak  1193 spectrum    1 weight  0.10000E+01 volume  0.70426E-03 ppm1      7.973 ppm2      1.317 CV     1
 OR { 1193}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 96   and name HG2 ))
 ASSI { 1194}
   (( segid " 1SG" and resid 60   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD2%)
      4.300     2.300     1.700 peak  1194 spectrum    1 weight  0.10000E+01 volume  0.70218E-03 ppm1      8.688 ppm2      0.407 CV     1
 OR { 1194}
   (( segid " 1SG" and resid 60   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI { 1198}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 76   and name HN  ))
      4.300     2.300     1.700 peak  1198 spectrum    1 weight  0.10000E+01 volume  0.70184E-03 ppm1      9.238 ppm2      8.919 CV     1
 ASSI { 1199}
   (( segid " 1SG" and resid 70   and name HN  ))
   (( segid " 1SG" and resid 29   and name HA  ))
      4.400     2.400     1.600 peak  1199 spectrum    1 weight  0.10000E+01 volume  0.70149E-03 ppm1      9.269 ppm2      4.385 CV     1
 ASSI { 1201}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 81   and name HA  ))
      5.400     3.700     0.600 peak  1201 spectrum    1 weight  0.10000E+01 volume  0.70005E-03 ppm1      8.150 ppm2      3.988 CV     1
 ASSI { 1205}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (  segid " 1SG" and resid 74   and name HD2%)
      4.000     2.000     2.000 peak  1205 spectrum    1 weight  0.10000E+01 volume  0.69878E-03 ppm1     10.782 ppm2      0.402 CV     1
 OR { 1205}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI { 1210}
   (( segid " 1SG" and resid 29   and name HN  ))
   (( segid " 1SG" and resid 28   and name HB  ))
      4.100     2.100     1.900 peak  1210 spectrum    1 weight  0.10000E+01 volume  0.69399E-03 ppm1      8.854 ppm2      1.961 CV     1
 ASSI { 1211}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 82   and name HN  ))
      3.400     1.500     1.500 peak  1211 spectrum    1 weight  0.10000E+01 volume  0.69382E-03 ppm1      8.254 ppm2      8.025 CV     1
 ASSI { 1214}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 15   and name HB2 ))
      4.800     2.800     1.200 peak  1214 spectrum    1 weight  0.10000E+01 volume  0.68984E-03 ppm1      8.404 ppm2      2.024 CV     1
 OR { 1214}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 15   and name HB1 ))
 ASSI { 1217}
   (( segid " 1SG" and resid 76   and name HN  ))
   (( segid " 1SG" and resid 77   and name HN  ))
      4.100     2.100     1.900 peak  1217 spectrum    1 weight  0.10000E+01 volume  0.68770E-03 ppm1      8.925 ppm2      8.720 CV     1
 ASSI { 1218}
   (( segid " 1SG" and resid 80   and name HE21))
   (( segid " 1SG" and resid 80   and name HA  ))
      4.000     2.000     2.000 peak  1218 spectrum    1 weight  0.10000E+01 volume  0.68649E-03 ppm1      6.979 ppm2      4.637 CV     1
 ASSI { 1219}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 26   and name HN  ))
      4.200     2.200     1.800 peak  1219 spectrum    1 weight  0.10000E+01 volume  0.68632E-03 ppm1      8.401 ppm2      9.500 CV     1
 ASSI { 1222}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 93   and name HB  ))
      3.800     1.800     1.800 peak  1222 spectrum    1 weight  0.10000E+01 volume  0.68372E-03 ppm1      7.972 ppm2      4.556 CV     1
 ASSI { 1223}
   (( segid " 1SG" and resid 98   and name HN  ))
   (( segid " 1SG" and resid 97   and name HB2 ))
      4.600     2.700     1.400 peak  1223 spectrum    1 weight  0.10000E+01 volume  0.68326E-03 ppm1      8.414 ppm2      2.674 CV     1
 ASSI { 1224}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 68   and name HG2 ))
      4.900     3.000     1.100 peak  1224 spectrum    1 weight  0.10000E+01 volume  0.68285E-03 ppm1      7.423 ppm2      1.256 CV     1
 OR { 1224}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 68   and name HG1 ))
 ASSI { 1225}
   (( segid " 1SG" and resid 96   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD1%)
      4.100     2.100     1.900 peak  1225 spectrum    1 weight  0.10000E+01 volume  0.68234E-03 ppm1      7.544 ppm2      0.653 CV     1
 ASSI { 1226}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 60   and name HB2 ))
      3.600     1.600     1.600 peak  1226 spectrum    1 weight  0.10000E+01 volume  0.68089E-03 ppm1      9.449 ppm2      2.977 CV     1
 ASSI { 1228}
   (( segid " 1SG" and resid 108  and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.900     1.900     1.900 peak  1228 spectrum    1 weight  0.10000E+01 volume  0.67812E-03 ppm1      8.564 ppm2      0.370 CV     1
 ASSI { 1230}
   (( segid " 1SG" and resid 30   and name HN  ))
   (( segid " 1SG" and resid 70   and name HN  ))
      4.000     2.000     2.000 peak  1230 spectrum    1 weight  0.10000E+01 volume  0.67512E-03 ppm1      8.593 ppm2      9.275 CV     1
 ASSI { 1231}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 24   and name HN  ))
      4.300     2.300     1.700 peak  1231 spectrum    1 weight  0.10000E+01 volume  0.67501E-03 ppm1      8.400 ppm2      9.240 CV     1
 ASSI { 1232}
   (( segid " 1SG" and resid 83   and name HN  ))
   (  segid " 1SG" and resid 83   and name HE% )
      4.900     3.000     1.100 peak  1232 spectrum    1 weight  0.10000E+01 volume  0.67489E-03 ppm1      8.256 ppm2      7.263 CV     1
 ASSI { 1238}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 58   and name HG2 ))
      4.800     2.800     1.200 peak  1238 spectrum    1 weight  0.10000E+01 volume  0.67062E-03 ppm1      9.148 ppm2      1.803 CV     1
 ASSI { 1239}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 40   and name HD1 ))
      4.300     2.300     1.700 peak  1239 spectrum    1 weight  0.10000E+01 volume  0.66895E-03 ppm1      9.110 ppm2      1.698 CV     1
 OR { 1239}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 40   and name HD2 ))
 ASSI { 1241}
   (( segid " 1SG" and resid 108  and name HN  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      4.300     2.300     1.700 peak  1241 spectrum    1 weight  0.10000E+01 volume  0.66860E-03 ppm1      8.565 ppm2      1.285 CV     1
 ASSI { 1245}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 41   and name HD1 ))
      4.200     2.200     1.800 peak  1245 spectrum    1 weight  0.10000E+01 volume  0.66664E-03 ppm1      8.690 ppm2      7.122 CV     1
 ASSI { 1247}
   (( segid " 1SG" and resid 58   and name HE22))
   (( segid " 1SG" and resid 77   and name HB  ))
      4.400     2.400     1.600 peak  1247 spectrum    1 weight  0.10000E+01 volume  0.66589E-03 ppm1      6.686 ppm2      4.009 CV     1
 ASSI { 1249}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 7    and name HB2 ))
      3.000     3.000     3.000 peak  1249 spectrum    1 weight  0.10000E+01 volume  0.66514E-03 ppm1      9.229 ppm2      2.578 CV     1
 ASSI { 1250}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 77   and name HN  ))
      5.000     3.100     1.000 peak  1250 spectrum    1 weight  0.10000E+01 volume  0.66479E-03 ppm1      8.944 ppm2      8.717 CV     1
 ASSI { 1258}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 74   and name HN  ))
      4.300     2.300     1.700 peak  1258 spectrum    1 weight  0.10000E+01 volume  0.65989E-03 ppm1      9.450 ppm2      8.472 CV     1
 ASSI { 1260}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 42   and name HB2 ))
      4.600     2.700     1.400 peak  1260 spectrum    1 weight  0.10000E+01 volume  0.65879E-03 ppm1      9.287 ppm2      2.479 CV     1
 ASSI { 1263}
   (( segid " 1SG" and resid 73   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD2%)
      4.300     2.300     1.700 peak  1263 spectrum    1 weight  0.10000E+01 volume  0.65591E-03 ppm1      9.448 ppm2      0.742 CV     1
 ASSI { 1264}
   (( segid " 1SG" and resid 80   and name HE22))
   (( segid " 1SG" and resid 80   and name HA  ))
      5.300     3.500     0.700 peak  1264 spectrum    1 weight  0.10000E+01 volume  0.65475E-03 ppm1      6.643 ppm2      4.635 CV     1
 ASSI { 1268}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 89   and name HA  ))
      3.600     1.600     1.600 peak  1268 spectrum    1 weight  0.10000E+01 volume  0.65371E-03 ppm1      8.977 ppm2      4.944 CV     1
 ASSI { 1269}
   (( segid " 1SG" and resid 73   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD1%)
      4.000     2.000     2.000 peak  1269 spectrum    1 weight  0.10000E+01 volume  0.65360E-03 ppm1      9.452 ppm2      0.839 CV     1
 ASSI { 1270}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 57   and name HG  ))
      4.600     2.700     1.400 peak  1270 spectrum    1 weight  0.10000E+01 volume  0.65337E-03 ppm1      9.018 ppm2      0.750 CV     1
 ASSI { 1272}
   (( segid " 1SG" and resid 53   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD1%)
      5.400     3.700     0.600 peak  1272 spectrum    1 weight  0.10000E+01 volume  0.65256E-03 ppm1      6.765 ppm2      0.861 CV     1
 ASSI { 1273}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 98   and name HB2 ))
      4.700     2.800     1.300 peak  1273 spectrum    1 weight  0.10000E+01 volume  0.65210E-03 ppm1      9.229 ppm2      2.289 CV     1
 ASSI { 1274}
   (( segid " 1SG" and resid 16   and name HN  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      4.600     2.600     1.400 peak  1274 spectrum    1 weight  0.10000E+01 volume  0.65170E-03 ppm1      8.594 ppm2      1.286 CV     1
 ASSI { 1276}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 71   and name HA  ))
      4.000     2.000     2.000 peak  1276 spectrum    1 weight  0.10000E+01 volume  0.65112E-03 ppm1      9.674 ppm2      5.062 CV     1
 ASSI { 1277}
   (( segid " 1SG" and resid 76   and name HN  ))
   (( segid " 1SG" and resid 75   and name HN  ))
      4.100     2.100     1.900 peak  1277 spectrum    1 weight  0.10000E+01 volume  0.65100E-03 ppm1      8.928 ppm2      9.150 CV     1
 ASSI { 1285}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 17   and name HN  ))
      3.800     1.800     1.800 peak  1285 spectrum    1 weight  0.10000E+01 volume  0.64240E-03 ppm1      8.829 ppm2      7.897 CV     1
 ASSI { 1286}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 65   and name HA  ))
      4.100     2.100     1.900 peak  1286 spectrum    1 weight  0.10000E+01 volume  0.64240E-03 ppm1      7.422 ppm2      3.445 CV     1
 ASSI { 1287}
   (( segid " 1SG" and resid 22   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      4.300     2.300     1.700 peak  1287 spectrum    1 weight  0.10000E+01 volume  0.64235E-03 ppm1      8.892 ppm2      1.182 CV     1
 ASSI { 1288}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 67   and name HA  ))
      4.900     3.000     1.100 peak  1288 spectrum    1 weight  0.10000E+01 volume  0.64194E-03 ppm1      8.107 ppm2      4.299 CV     1
 ASSI { 1290}
   (( segid " 1SG" and resid 70   and name HN  ))
   (( segid " 1SG" and resid 28   and name HB  ))
      3.700     1.700     1.700 peak  1290 spectrum    1 weight  0.10000E+01 volume  0.64177E-03 ppm1      9.273 ppm2      1.954 CV     1
 ASSI { 1292}
   (( segid " 1SG" and resid 101  and name HD22))
   (( segid " 1SG" and resid 101  and name HB2 ))
      4.500     2.500     1.500 peak  1292 spectrum    1 weight  0.10000E+01 volume  0.63958E-03 ppm1      6.724 ppm2      2.692 CV     1
 ASSI { 1295}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 83   and name HA  ))
      4.100     2.100     1.900 peak  1295 spectrum    1 weight  0.10000E+01 volume  0.63698E-03 ppm1     10.109 ppm2      4.613 CV     1
 ASSI { 1296}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB1 ))
      4.500     2.600     1.500 peak  1296 spectrum    1 weight  0.10000E+01 volume  0.63692E-03 ppm1      9.024 ppm2      2.399 CV     1
 OR { 1296}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB2 ))
 ASSI { 1298}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 37   and name HB2 ))
      4.400     2.500     1.600 peak  1298 spectrum    1 weight  0.10000E+01 volume  0.63640E-03 ppm1      8.737 ppm2      1.365 CV     1
 OR { 1298}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 37   and name HG2 ))
 ASSI { 1299}
   (( segid " 1SG" and resid 7    and name HN  ))
   (  segid " 1SG" and resid 6    and name HD1%)
      4.800     2.900     1.200 peak  1299 spectrum    1 weight  0.10000E+01 volume  0.63623E-03 ppm1      8.875 ppm2      0.650 CV     1
 ASSI { 1301}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 106  and name HN  ))
      4.400     2.400     1.600 peak  1301 spectrum    1 weight  0.10000E+01 volume  0.63606E-03 ppm1      8.826 ppm2      8.159 CV     1
 ASSI { 1302}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 84   and name HA  ))
      4.000     2.000     2.000 peak  1302 spectrum    1 weight  0.10000E+01 volume  0.63473E-03 ppm1      8.799 ppm2      4.230 CV     1
 OR { 1302}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 84   and name HB  ))
 ASSI { 1306}
   (( segid " 1SG" and resid 40   and name HN  ))
   (  segid " 1SG" and resid 38   and name HG2%)
      4.500     2.500     1.500 peak  1306 spectrum    1 weight  0.10000E+01 volume  0.63115E-03 ppm1      8.688 ppm2      0.784 CV     1
 ASSI { 1309}
   (( segid " 1SG" and resid 48   and name HN  ))
   (( segid " 1SG" and resid 47   and name HN  ))
      4.400     2.400     1.600 peak  1309 spectrum    1 weight  0.10000E+01 volume  0.62913E-03 ppm1      8.396 ppm2      7.292 CV     1
 ASSI { 1310}
   (( segid " 1SG" and resid 93   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD1%)
      4.200     2.200     1.800 peak  1310 spectrum    1 weight  0.10000E+01 volume  0.62896E-03 ppm1      8.555 ppm2      0.652 CV     1
 ASSI { 1311}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 46   and name HB2 ))
      4.400     2.400     1.600 peak  1311 spectrum    1 weight  0.10000E+01 volume  0.62861E-03 ppm1     10.115 ppm2      3.057 CV     1
 ASSI { 1312}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      4.200     2.200     1.800 peak  1312 spectrum    1 weight  0.10000E+01 volume  0.62729E-03 ppm1      9.149 ppm2      1.436 CV     1
 ASSI { 1314}
   (( segid " 1SG" and resid 42   and name HN  ))
   (( segid " 1SG" and resid 41   and name HN  ))
      4.500     2.600     1.500 peak  1314 spectrum    1 weight  0.10000E+01 volume  0.62579E-03 ppm1      9.445 ppm2      9.310 CV     1
 ASSI { 1315}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 101  and name HA  ))
      4.300     2.300     1.700 peak  1315 spectrum    1 weight  0.10000E+01 volume  0.62567E-03 ppm1      8.979 ppm2      5.507 CV     1
 ASSI { 1317}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 45   and name HA  ))
      4.600     2.700     1.400 peak  1317 spectrum    1 weight  0.10000E+01 volume  0.62342E-03 ppm1     10.118 ppm2      3.497 CV     1
 ASSI { 1319}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 57   and name HA  ))
      4.200     2.200     1.800 peak  1319 spectrum    1 weight  0.10000E+01 volume  0.62250E-03 ppm1      9.150 ppm2      5.401 CV     1
 ASSI { 1320}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 45   and name HE2 ))
      4.000     2.000     2.000 peak  1320 spectrum    1 weight  0.10000E+01 volume  0.62227E-03 ppm1     10.108 ppm2      2.594 CV     1
 ASSI { 1323}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 58   and name HA  ))
      4.000     2.000     2.000 peak  1323 spectrum    1 weight  0.10000E+01 volume  0.62059E-03 ppm1      7.436 ppm2      4.650 CV     1
 ASSI { 1325}
   (( segid " 1SG" and resid 10   and name HN  ))
   (( segid " 1SG" and resid 10   and name HA  ))
      3.600     1.600     1.600 peak  1325 spectrum    1 weight  0.10000E+01 volume  0.61869E-03 ppm1      8.852 ppm2      4.315 CV     1
 ASSI { 1332}
   (( segid " 1SG" and resid 80   and name HN  ))
   (( segid " 1SG" and resid 80   and name HG1 ))
      4.600     2.700     1.400 peak  1332 spectrum    1 weight  0.10000E+01 volume  0.61477E-03 ppm1      5.579 ppm2      2.159 CV     1
 OR { 1332}
   (( segid " 1SG" and resid 80   and name HN  ))
   (( segid " 1SG" and resid 80   and name HG2 ))
 ASSI { 1333}
   (( segid " 1SG" and resid 21   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      4.200     2.200     1.800 peak  1333 spectrum    1 weight  0.10000E+01 volume  0.61402E-03 ppm1      8.168 ppm2      1.177 CV     1
 ASSI { 1335}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 89   and name HA  ))
      4.300     2.300     1.700 peak  1335 spectrum    1 weight  0.10000E+01 volume  0.61251E-03 ppm1      8.689 ppm2      4.943 CV     1
 ASSI { 1341}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 88   and name HA  ))
      3.400     1.500     1.500 peak  1341 spectrum    1 weight  0.10000E+01 volume  0.60657E-03 ppm1      9.108 ppm2      5.308 CV     1
 ASSI { 1347}
   (( segid " 1SG" and resid 29   and name HN  ))
   (( segid " 1SG" and resid 30   and name HN  ))
      3.200     1.300     1.300 peak  1347 spectrum    1 weight  0.10000E+01 volume  0.37026E-02 ppm1      8.854 ppm2      8.595 CV     1
 ASSI { 1348}
   (( segid " 1SG" and resid 102  and name HN  ))
   (( segid " 1SG" and resid 103  and name HN  ))
      3.200     1.300     1.300 peak  1348 spectrum    1 weight  0.10000E+01 volume  0.37046E-02 ppm1      8.557 ppm2      9.245 CV     1
 ASSI { 1349}
   (( segid " 1SG" and resid 42   and name HN  ))
   (( segid " 1SG" and resid 42   and name HA  ))
      2.700     0.900     0.900 peak  1349 spectrum    1 weight  0.10000E+01 volume  0.37026E-02 ppm1      9.447 ppm2      5.780 CV     1
 ASSI { 1351}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 14   and name HN  ))
      3.200     1.300     1.300 peak  1351 spectrum    1 weight  0.10000E+01 volume  0.37026E-02 ppm1      8.317 ppm2      9.191 CV     1
 ASSI { 1352}
   (( segid " 1SG" and resid 94   and name HN  ))
   (( segid " 1SG" and resid 94   and name HB2 ))
      3.200     1.300     1.300 peak  1352 spectrum    1 weight  0.10000E+01 volume  0.37026E-02 ppm1      8.330 ppm2      1.778 CV     1
 ASSI { 1353}
   (( segid " 1SG" and resid 93   and name HN  ))
   (( segid " 1SG" and resid 93   and name HB  ))
      2.700     0.900     0.900 peak  1353 spectrum    1 weight  0.10000E+01 volume  0.37026E-02 ppm1      8.558 ppm2      4.550 CV     1
 ASSI { 1356}
   (( segid " 1SG" and resid 56   and name HN  ))
   (( segid " 1SG" and resid 56   and name HA  ))
      2.800     1.000     1.000 peak  1356 spectrum    1 weight  0.10000E+01 volume  0.37026E-02 ppm1      8.385 ppm2      4.970 CV     1
 ASSI { 1358}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 8    and name HN  ))
      2.600     0.800     0.800 peak  1358 spectrum    1 weight  0.10000E+01 volume  0.37026E-02 ppm1      7.892 ppm2      9.052 CV     1
 ASSI { 1360}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 98   and name HN  ))
      3.400     1.400     1.400 peak  1360 spectrum    1 weight  0.10000E+01 volume  0.37026E-02 ppm1      8.056 ppm2      8.423 CV     1
 ASSI { 1361}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 104  and name HN  ))
      3.300     1.400     1.400 peak  1361 spectrum    1 weight  0.10000E+01 volume  0.37046E-02 ppm1      9.242 ppm2      8.788 CV     1
 ASSI { 1363}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB2 ))
      4.000     2.000     2.000 peak  1363 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      9.288 ppm2      1.696 CV     1
 OR { 1363}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB1 ))
 ASSI { 1365}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 35   and name HB1 ))
      3.200     1.200     1.200 peak  1365 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      7.510 ppm2      1.779 CV     1
 OR { 1365}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 35   and name HB2 ))
 ASSI { 1366}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 35   and name HE2 ))
      3.600     1.600     1.600 peak  1366 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      7.510 ppm2      2.950 CV     1
 OR { 1366}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 35   and name HE1 ))
 ASSI { 1367}
   (( segid " 1SG" and resid 45   and name HN  ))
   (( segid " 1SG" and resid 45   and name HA  ))
      2.800     1.000     1.000 peak  1367 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      8.196 ppm2      3.486 CV     1
 ASSI { 1369}
   (( segid " 1SG" and resid 45   and name HN  ))
   (( segid " 1SG" and resid 45   and name HB2 ))
      2.600     0.800     0.800 peak  1369 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      8.195 ppm2      0.606 CV     1
 OR { 1369}
   (( segid " 1SG" and resid 45   and name HN  ))
   (( segid " 1SG" and resid 45   and name HG2 ))
 ASSI { 1371}
   (( segid " 1SG" and resid 94   and name HN  ))
   (( segid " 1SG" and resid 94   and name HA  ))
      2.500     0.800     0.800 peak  1371 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      8.337 ppm2      4.042 CV     1
 ASSI { 1373}
   (( segid " 1SG" and resid 18   and name HN  ))
   (  segid " 1SG" and resid 18   and name HG1%)
      3.500     1.600     1.600 peak  1373 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      8.005 ppm2      0.992 CV     1
 ASSI { 1374}
   (( segid " 1SG" and resid 53   and name HN  ))
   (  segid " 1SG" and resid 53   and name HG1%)
      3.500     1.500     1.500 peak  1374 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      6.764 ppm2      1.120 CV     1
 ASSI { 1376}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 21   and name HB2 ))
      3.800     1.800     1.800 peak  1376 spectrum    1 weight  0.10000E+01 volume  0.37046E-02 ppm1      8.053 ppm2      3.751 CV     1
 ASSI { 1379}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 62   and name HN  ))
      3.600     1.600     1.600 peak  1379 spectrum    1 weight  0.10000E+01 volume  0.37026E-02 ppm1      9.447 ppm2      8.851 CV     1
 ASSI { 1380}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 64   and name HN  ))
      3.200     1.300     1.300 peak  1380 spectrum    1 weight  0.10000E+01 volume  0.37026E-02 ppm1      8.721 ppm2      7.751 CV     1
 ASSI { 1381}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 87   and name HN  ))
      3.000     1.200     1.200 peak  1381 spectrum    1 weight  0.10000E+01 volume  0.37026E-02 ppm1      8.792 ppm2      9.113 CV     1
 ASSI { 1384}
   (( segid " 1SG" and resid 98   and name HN  ))
   (( segid " 1SG" and resid 98   and name HA  ))
      2.800     1.000     1.000 peak  1384 spectrum    1 weight  0.10000E+01 volume  0.37026E-02 ppm1      8.417 ppm2      4.696 CV     1
 ASSI { 1385}
   (( segid " 1SG" and resid 80   and name HN  ))
   (( segid " 1SG" and resid 80   and name HA  ))
      2.700     0.900     0.900 peak  1385 spectrum    1 weight  0.10000E+01 volume  0.37026E-02 ppm1      5.581 ppm2      4.644 CV     1
 ASSI { 1386}
   (( segid " 1SG" and resid 12   and name HN  ))
   (( segid " 1SG" and resid 12   and name HA  ))
      2.800     1.000     1.000 peak  1386 spectrum    1 weight  0.10000E+01 volume  0.37026E-02 ppm1      8.345 ppm2      4.679 CV     1
 ASSI { 1391}
   (( segid " 1SG" and resid 101  and name HN  ))
   (( segid " 1SG" and resid 101  and name HA  ))
      2.700     0.900     0.900 peak  1391 spectrum    1 weight  0.10000E+01 volume  0.37026E-02 ppm1      9.044 ppm2      5.506 CV     1
 ASSI { 1393}
   (( segid " 1SG" and resid 91   and name HN  ))
   (( segid " 1SG" and resid 90   and name HA  ))
      2.600     0.800     0.800 peak  1393 spectrum    1 weight  0.10000E+01 volume  0.37026E-02 ppm1      8.474 ppm2      4.789 CV     1
 ASSI { 1395}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 49   and name HN  ))
      2.900     1.000     1.000 peak  1395 spectrum    1 weight  0.10000E+01 volume  0.37026E-02 ppm1      8.632 ppm2      9.291 CV     1
 ASSI { 1397}
   (( segid " 1SG" and resid 33   and name HN  ))
   (( segid " 1SG" and resid 33   and name HA  ))
      2.800     1.000     1.000 peak  1397 spectrum    1 weight  0.10000E+01 volume  0.37026E-02 ppm1      7.614 ppm2      4.456 CV     1
 ASSI { 1398}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 40   and name HN  ))
      3.200     1.300     1.300 peak  1398 spectrum    1 weight  0.10000E+01 volume  0.37026E-02 ppm1      9.308 ppm2      8.696 CV     1
 ASSI { 1399}
   (( segid " 1SG" and resid 6    and name HN  ))
   (( segid " 1SG" and resid 5    and name HN  ))
      2.200     0.600     0.600 peak  1399 spectrum    1 weight  0.10000E+01 volume  0.37046E-02 ppm1      8.450 ppm2      8.143 CV     1
 ASSI { 1400}
   (( segid " 1SG" and resid 8    and name HN  ))
   (( segid " 1SG" and resid 29   and name HN  ))
      2.900     1.100     1.100 peak  1400 spectrum    1 weight  0.10000E+01 volume  0.37046E-02 ppm1      9.053 ppm2      8.853 CV     1
 ASSI { 1401}
   (( segid " 1SG" and resid 7    and name HN  ))
   (( segid " 1SG" and resid 8    and name HN  ))
      3.100     1.200     1.200 peak  1401 spectrum    1 weight  0.10000E+01 volume  0.37046E-02 ppm1      8.874 ppm2      9.052 CV     1
 ASSI { 1403}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 103  and name HN  ))
      3.200     1.200     1.200 peak  1403 spectrum    1 weight  0.10000E+01 volume  0.37046E-02 ppm1      8.312 ppm2      9.240 CV     1
 ASSI { 1406}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 48   and name HN  ))
      3.200     1.200     1.200 peak  1406 spectrum    1 weight  0.10000E+01 volume  0.37046E-02 ppm1      9.290 ppm2      8.397 CV     1
 ASSI { 1407}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 50   and name HN  ))
      3.300     1.400     1.400 peak  1407 spectrum    1 weight  0.10000E+01 volume  0.37046E-02 ppm1      7.786 ppm2      8.941 CV     1
 ASSI { 1408}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 51   and name HN  ))
      3.600     1.600     1.600 peak  1408 spectrum    1 weight  0.10000E+01 volume  0.37046E-02 ppm1      6.764 ppm2      7.881 CV     1
 ASSI { 1409}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 51   and name HA  ))
      3.000     1.100     1.100 peak  1409 spectrum    1 weight  0.10000E+01 volume  0.37046E-02 ppm1      7.784 ppm2      4.557 CV     1
 ASSI { 1411}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 58   and name HN  ))
      3.100     1.200     1.200 peak  1411 spectrum    1 weight  0.10000E+01 volume  0.37046E-02 ppm1      7.198 ppm2      8.954 CV     1
 ASSI { 1412}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 60   and name HN  ))
      3.200     1.300     1.300 peak  1412 spectrum    1 weight  0.10000E+01 volume  0.37046E-02 ppm1      9.151 ppm2      8.693 CV     1
 ASSI { 1413}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 64   and name HN  ))
      3.300     1.400     1.400 peak  1413 spectrum    1 weight  0.10000E+01 volume  0.37046E-02 ppm1      8.305 ppm2      7.754 CV     1
 ASSI { 1414}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 70   and name HN  ))
      3.200     1.300     1.300 peak  1414 spectrum    1 weight  0.10000E+01 volume  0.37046E-02 ppm1      8.724 ppm2      9.271 CV     1
 ASSI { 1417}
   (( segid " 1SG" and resid 72   and name HN  ))
   (( segid " 1SG" and resid 28   and name HN  ))
      3.400     1.400     1.400 peak  1417 spectrum    1 weight  0.10000E+01 volume  0.37046E-02 ppm1      9.295 ppm2      9.670 CV     1
 ASSI { 1419}
   (( segid " 1SG" and resid 76   and name HN  ))
   (( segid " 1SG" and resid 76   and name HA  ))
      2.600     0.800     0.800 peak  1419 spectrum    1 weight  0.10000E+01 volume  0.37046E-02 ppm1      8.925 ppm2      4.988 CV     1
 ASSI { 1420}
   (( segid " 1SG" and resid 84   and name HN  ))
   (( segid " 1SG" and resid 83   and name HA  ))
      2.700     0.900     0.900 peak  1420 spectrum    1 weight  0.10000E+01 volume  0.37046E-02 ppm1      7.866 ppm2      4.601 CV     1
 ASSI { 1422}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 100  and name HN  ))
      2.700     0.900     0.900 peak  1422 spectrum    1 weight  0.10000E+01 volume  0.37046E-02 ppm1      8.979 ppm2      8.906 CV     1
 ASSI { 1423}
   (( segid " 1SG" and resid 91   and name HN  ))
   (( segid " 1SG" and resid 91   and name HA  ))
      2.600     0.800     0.800 peak  1423 spectrum    1 weight  0.10000E+01 volume  0.37046E-02 ppm1      8.474 ppm2      4.739 CV     1
 ASSI { 1424}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 97   and name HN  ))
      3.100     1.200     1.200 peak  1424 spectrum    1 weight  0.10000E+01 volume  0.37046E-02 ppm1      7.549 ppm2      8.059 CV     1
 ASSI { 1426}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 15   and name HA  ))
      2.600     0.800     0.800 peak  1426 spectrum    1 weight  0.10000E+01 volume  0.37046E-02 ppm1      8.399 ppm2      5.489 CV     1
 ASSI { 1428}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 104  and name HN  ))
      3.200     1.300     1.300 peak  1428 spectrum    1 weight  0.10000E+01 volume  0.37046E-02 ppm1      8.400 ppm2      8.792 CV     1
 ASSI { 1429}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 105  and name HN  ))
      3.000     1.100     1.100 peak  1429 spectrum    1 weight  0.10000E+01 volume  0.37046E-02 ppm1      8.150 ppm2      8.402 CV     1
 ASSI { 1430}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 85   and name HN  ))
      3.000     1.100     1.100 peak  1430 spectrum    1 weight  0.10000E+01 volume  0.37046E-02 ppm1      8.149 ppm2      9.408 CV     1
 ASSI { 1433}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 106  and name HA  ))
      2.600     0.800     0.800 peak  1433 spectrum    1 weight  0.10000E+01 volume  0.37046E-02 ppm1      8.151 ppm2      4.725 CV     1
 ASSI { 1434}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 65   and name HA  ))
      3.000     1.100     1.100 peak  1434 spectrum    1 weight  0.10000E+01 volume  0.37046E-02 ppm1      6.900 ppm2      3.449 CV     1
 ASSI { 1435}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 78   and name HN  ))
      3.900     1.900     1.900 peak  1435 spectrum    1 weight  0.10000E+01 volume  0.37046E-02 ppm1      8.889 ppm2      8.054 CV     1
 ASSI { 1437}
   (( segid " 1SG" and resid 19   and name HN  ))
   (( segid " 1SG" and resid 20   and name HA1 ))
      3.800     1.800     1.800 peak  1437 spectrum    1 weight  0.10000E+01 volume  0.37046E-02 ppm1      9.827 ppm2      3.729 CV     1
 ASSI { 1438}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 37   and name HA  ))
      3.200     1.300     1.300 peak  1438 spectrum    1 weight  0.10000E+01 volume  0.37046E-02 ppm1      8.735 ppm2      4.487 CV     1
 ASSI { 1439}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 39   and name HA  ))
      3.300     1.300     1.300 peak  1439 spectrum    1 weight  0.10000E+01 volume  0.37046E-02 ppm1      8.735 ppm2      4.801 CV     1
 ASSI { 1440}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 43   and name HA  ))
      3.100     1.200     1.200 peak  1440 spectrum    1 weight  0.10000E+01 volume  0.37046E-02 ppm1      9.108 ppm2      4.132 CV     1
 ASSI { 1441}
   (( segid " 1SG" and resid 86   and name HN  ))
   (( segid " 1SG" and resid 103  and name HA  ))
      3.200     1.200     1.200 peak  1441 spectrum    1 weight  0.10000E+01 volume  0.37046E-02 ppm1      7.948 ppm2      5.544 CV     1
 ASSI { 1442}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 48   and name HA  ))
      2.700     0.900     0.900 peak  1442 spectrum    1 weight  0.10000E+01 volume  0.37046E-02 ppm1      8.628 ppm2      4.192 CV     1
 ASSI { 1443}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 86   and name HA2 ))
      3.100     1.200     1.200 peak  1443 spectrum    1 weight  0.10000E+01 volume  0.37046E-02 ppm1      8.796 ppm2      4.658 CV     1
 ASSI { 1445}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 102  and name HA  ))
      3.000     1.100     1.100 peak  1445 spectrum    1 weight  0.10000E+01 volume  0.37046E-02 ppm1      8.313 ppm2      4.987 CV     1
 ASSI { 1446}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 9    and name HB2 ))
      2.800     1.000     1.000 peak  1446 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      7.887 ppm2      1.892 CV     1
 ASSI { 1447}
   (( segid " 1SG" and resid 80   and name HN  ))
   (( segid " 1SG" and resid 80   and name HB2 ))
      2.600     0.800     0.800 peak  1447 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      5.579 ppm2      1.960 CV     1
 OR { 1447}
   (( segid " 1SG" and resid 80   and name HN  ))
   (( segid " 1SG" and resid 80   and name HB1 ))
 ASSI { 1448}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 23   and name HN  ))
      3.200     1.300     1.300 peak  1448 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      9.239 ppm2      7.917 CV     1
 ASSI { 1449}
   (( segid " 1SG" and resid 42   and name HN  ))
   (( segid " 1SG" and resid 41   and name HD1 ))
      3.700     3.700     2.300 peak  1449 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      9.447 ppm2      7.131 CV     1
 ASSI { 1450}
   (( segid " 1SG" and resid 46   and name HN  ))
   (( segid " 1SG" and resid 46   and name HD1 ))
      2.600     0.900     0.900 peak  1450 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      8.216 ppm2      7.132 CV     1
 ASSI { 1452}
   (( segid " 1SG" and resid 56   and name HN  ))
   (( segid " 1SG" and resid 56   and name HB2 ))
      3.300     1.400     1.400 peak  1452 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      8.383 ppm2      3.101 CV     1
 ASSI { 1453}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 103  and name HB2 ))
      2.900     2.900     3.100 peak  1453 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      9.184 ppm2      2.498 CV     1
 ASSI { 1455}
   (( segid " 1SG" and resid 86   and name HN  ))
   (  segid " 1SG" and resid 87   and name HD% )
      2.900     1.100     1.100 peak  1455 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      7.948 ppm2      6.794 CV     1
 ASSI { 1456}
   (( segid " 1SG" and resid 86   and name HN  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      3.100     3.100     2.900 peak  1456 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      7.946 ppm2      1.498 CV     1
 ASSI { 1458}
   (( segid " 1SG" and resid 5    and name HN  ))
   (( segid " 1SG" and resid 96   and name HB2 ))
      3.400     1.400     1.400 peak  1458 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      8.144 ppm2      1.572 CV     1
 ASSI { 1459}
   (( segid " 1SG" and resid 5    and name HN  ))
   (( segid " 1SG" and resid 4    and name HG12))
      3.700     1.700     1.700 peak  1459 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      8.143 ppm2      1.230 CV     1
 ASSI { 1460}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 64   and name HB2 ))
      3.100     1.200     1.200 peak  1460 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      7.421 ppm2      2.339 CV     1
 ASSI { 1461}
   (( segid " 1SG" and resid 20   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.400     1.500     1.500 peak  1461 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      8.824 ppm2      0.376 CV     1
 ASSI { 1462}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 18   and name HN  ))
      3.100     3.100     2.900 peak  1462 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      8.828 ppm2      8.005 CV     1
 ASSI { 1463}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 63   and name HN  ))
      3.200     1.300     1.300 peak  1463 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      8.848 ppm2      8.521 CV     1
 ASSI { 1465}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 95   and name HB2 ))
      2.600     0.800     0.800 peak  1465 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      7.971 ppm2      2.631 CV     1
 ASSI { 1466}
   (( segid " 1SG" and resid 95   and name HN  ))
   (  segid " 1SG" and resid 93   and name HG2%)
      2.300     2.300     3.700 peak  1466 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      7.969 ppm2      1.024 CV     1
 ASSI { 1468}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 80   and name HG2 ))
      2.700     0.900     0.900 peak  1468 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      8.254 ppm2      2.168 CV     1
 OR { 1468}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 80   and name HG1 ))
 ASSI { 1469}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 106  and name HB  ))
      3.300     1.400     1.400 peak  1469 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      8.253 ppm2      1.861 CV     1
 ASSI { 1471}
   (( segid " 1SG" and resid 83   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.300     1.300     1.300 peak  1471 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      8.254 ppm2      0.372 CV     1
 ASSI { 1472}
   (( segid " 1SG" and resid 93   and name HN  ))
   (  segid " 1SG" and resid 97   and name HD% )
      3.300     1.400     1.400 peak  1472 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      8.557 ppm2      7.094 CV     1
 ASSI { 1473}
   (( segid " 1SG" and resid 93   and name HN  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      2.900     1.100     1.100 peak  1473 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      8.557 ppm2      0.177 CV     1
 ASSI { 1476}
   (( segid " 1SG" and resid 85   and name HN  ))
   (( segid " 1SG" and resid 104  and name HB2 ))
      3.500     1.500     1.500 peak  1476 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      9.406 ppm2      1.227 CV     1
 ASSI { 1477}
   (( segid " 1SG" and resid 85   and name HN  ))
   (( segid " 1SG" and resid 103  and name HA  ))
      3.500     1.600     1.600 peak  1477 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      9.405 ppm2      5.536 CV     1
 ASSI { 1478}
   (( segid " 1SG" and resid 25   and name HN  ))
   (  segid " 1SG" and resid 23   and name HG2%)
      3.200     1.300     1.300 peak  1478 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      8.401 ppm2      0.771 CV     1
 ASSI { 1480}
   (( segid " 1SG" and resid 44   and name HN  ))
   (  segid " 1SG" and resid 87   and name HD% )
      2.700     0.900     0.900 peak  1480 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      8.211 ppm2      6.801 CV     1
 ASSI { 1482}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 43   and name HD2 ))
      3.500     1.500     1.500 peak  1482 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      8.212 ppm2      1.314 CV     1
 OR { 1482}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 43   and name HD1 ))
 ASSI { 1484}
   (( segid " 1SG" and resid 51   and name HN  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      3.100     1.200     1.200 peak  1484 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      7.879 ppm2      1.071 CV     1
 ASSI { 1485}
   (( segid " 1SG" and resid 51   and name HN  ))
   (( segid " 1SG" and resid 52   and name HB2 ))
      3.500     1.500     1.500 peak  1485 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      7.881 ppm2      1.710 CV     1
 ASSI { 1486}
   (( segid " 1SG" and resid 7    and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.500     1.500     1.500 peak  1486 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      8.875 ppm2      0.469 CV     1
 ASSI { 1488}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 48   and name HB2 ))
      3.100     1.200     1.200 peak  1488 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      8.940 ppm2      2.935 CV     1
 ASSI { 1489}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 51   and name HA  ))
      3.500     1.500     1.500 peak  1489 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      8.941 ppm2      4.555 CV     1
 ASSI { 1490}
   (( segid " 1SG" and resid 69   and name HN  ))
   (  segid " 1SG" and resid 63   and name HD% )
      3.000     3.000     3.000 peak  1490 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      6.899 ppm2      5.903 CV     1
 ASSI { 1491}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 67   and name HA  ))
      3.300     1.400     1.400 peak  1491 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      6.897 ppm2      4.292 CV     1
 ASSI { 1494}
   (( segid " 1SG" and resid 83   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      3.500     1.500     1.500 peak  1494 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      8.257 ppm2      1.183 CV     1
 ASSI { 1495}
   (( segid " 1SG" and resid 70   and name HN  ))
   (  segid " 1SG" and resid 28   and name HG2%)
      3.200     1.300     1.300 peak  1495 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      9.272 ppm2      0.629 CV     1
 ASSI { 1497}
   (( segid " 1SG" and resid 70   and name HN  ))
   (  segid " 1SG" and resid 70   and name HE% )
      3.400     1.400     1.400 peak  1497 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      9.270 ppm2      6.632 CV     1
 ASSI { 1498}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 100  and name HN  ))
      3.300     1.400     1.400 peak  1498 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      9.228 ppm2      8.896 CV     1
 ASSI { 1499}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 98   and name HN  ))
      3.300     1.300     1.300 peak  1499 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      9.228 ppm2      8.427 CV     1
 ASSI { 1501}
   (( segid " 1SG" and resid 80   and name HN  ))
   (  segid " 1SG" and resid 83   and name HE% )
      2.900     1.000     1.000 peak  1501 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      5.580 ppm2      7.264 CV     1
 ASSI { 1503}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 34   and name HN  ))
      2.500     0.800     0.800 peak  1503 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      7.510 ppm2      8.687 CV     1
 ASSI { 1504}
   (( segid " 1SG" and resid 92   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.300     1.400     1.400 peak  1504 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      8.734 ppm2      0.473 CV     1
 ASSI { 1505}
   (( segid " 1SG" and resid 92   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG1%)
      2.300     2.300     3.700 peak  1505 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      8.735 ppm2     -0.083 CV     1
 ASSI { 1507}
   (( segid " 1SG" and resid 42   and name HN  ))
   (  segid " 1SG" and resid 49   and name HD2%)
      3.300     1.400     1.400 peak  1507 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      9.445 ppm2      1.011 CV     1
 ASSI { 1510}
   (( segid " 1SG" and resid 42   and name HN  ))
   (( segid " 1SG" and resid 41   and name HB2 ))
      3.400     1.400     1.400 peak  1510 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      9.448 ppm2      3.149 CV     1
 ASSI { 1511}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 103  and name HD21))
      2.900     1.100     1.100 peak  1511 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      9.241 ppm2      7.722 CV     1
 ASSI { 1513}
   (( segid " 1SG" and resid 79   and name HN  ))
   (  segid " 1SG" and resid 83   and name HE% )
      3.500     3.500     2.500 peak  1513 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      8.973 ppm2      7.265 CV     1
 ASSI { 1514}
   (( segid " 1SG" and resid 79   and name HN  ))
   (  segid " 1SG" and resid 83   and name HD% )
      3.600     1.700     1.700 peak  1514 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      8.973 ppm2      7.109 CV     1
 ASSI { 1515}
   (( segid " 1SG" and resid 79   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.300     1.300     1.300 peak  1515 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      8.973 ppm2      0.382 CV     1
 ASSI { 1518}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HD1 ))
      3.300     1.400     1.400 peak  1518 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      8.896 ppm2      3.106 CV     1
 OR { 1518}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HD2 ))
 ASSI { 1519}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 9    and name HG2 ))
      3.000     3.000     3.000 peak  1519 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      8.892 ppm2      2.504 CV     1
 ASSI { 1520}
   (( segid " 1SG" and resid 100  and name HN  ))
   (( segid " 1SG" and resid 89   and name HB2 ))
      3.000     1.100     1.100 peak  1520 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      8.895 ppm2      2.307 CV     1
 ASSI { 1521}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HG2 ))
      2.700     0.900     0.900 peak  1521 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      8.890 ppm2      1.675 CV     1
 OR { 1521}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HG1 ))
 ASSI { 1522}
   (( segid " 1SG" and resid 27   and name HN  ))
   (  segid " 1SG" and resid 28   and name HG2%)
      2.900     2.900     3.100 peak  1522 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      8.891 ppm2      0.632 CV     1
 ASSI { 1523}
   (( segid " 1SG" and resid 94   and name HN  ))
   (( segid " 1SG" and resid 93   and name HB  ))
      2.600     0.800     0.800 peak  1523 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      8.338 ppm2      4.555 CV     1
 ASSI { 1526}
   (( segid " 1SG" and resid 17   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.100     3.100     2.900 peak  1526 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      7.898 ppm2      0.371 CV     1
 ASSI { 1527}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 61   and name HB2 ))
      3.800     1.800     1.800 peak  1527 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      9.450 ppm2      2.295 CV     1
 ASSI { 1530}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 60   and name HA  ))
      3.000     3.000     3.000 peak  1530 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      9.450 ppm2      5.073 CV     1
 ASSI { 1534}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 16   and name HB  ))
      3.300     3.300     2.700 peak  1534 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      8.502 ppm2      1.802 CV     1
 ASSI { 1535}
   (( segid " 1SG" and resid 38   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG2%)
      3.000     1.200     1.200 peak  1535 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      8.374 ppm2     -0.453 CV     1
 ASSI { 1537}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 68   and name HA  ))
      4.000     2.000     2.000 peak  1537 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      8.106 ppm2      3.600 CV     1
 ASSI { 1538}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 65   and name HD1 ))
      2.900     1.000     1.000 peak  1538 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      8.106 ppm2      3.228 CV     1
 OR { 1538}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 65   and name HD2 ))
 ASSI { 1539}
   (( segid " 1SG" and resid 84   and name HN  ))
   (  segid " 1SG" and resid 83   and name HD% )
      3.500     1.600     1.600 peak  1539 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      7.866 ppm2      7.112 CV     1
 ASSI { 1540}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 74   and name HA  ))
      3.300     1.400     1.400 peak  1540 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      8.940 ppm2      4.324 CV     1
 ASSI { 1542}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 22   and name HG12))
      3.500     1.500     1.500 peak  1542 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      8.888 ppm2      0.075 CV     1
 ASSI { 1543}
   (( segid " 1SG" and resid 104  and name HN  ))
   (  segid " 1SG" and resid 106  and name HG1%)
      3.300     3.300     2.700 peak  1543 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      8.793 ppm2      0.667 CV     1
 ASSI { 1549}
   (( segid " 1SG" and resid 26   and name HN  ))
   (( segid " 1SG" and resid 27   and name HN  ))
      3.200     1.300     1.300 peak  1549 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      9.498 ppm2      8.892 CV     1
 ASSI { 1550}
   (( segid " 1SG" and resid 26   and name HN  ))
   (  segid " 1SG" and resid 72   and name HD% )
      3.400     3.400     2.600 peak  1550 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      9.498 ppm2      7.311 CV     1
 ASSI { 1551}
   (( segid " 1SG" and resid 26   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD2%)
      3.200     3.200     2.800 peak  1551 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      9.495 ppm2      0.760 CV     1
 ASSI { 1552}
   (( segid " 1SG" and resid 41   and name HN  ))
   (  segid " 1SG" and resid 49   and name HD2%)
      3.700     1.700     1.700 peak  1552 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      9.306 ppm2      1.018 CV     1
 ASSI { 1553}
   (( segid " 1SG" and resid 41   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD1%)
      3.200     1.300     1.300 peak  1553 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      9.307 ppm2      0.856 CV     1
 ASSI { 1554}
   (( segid " 1SG" and resid 41   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD2%)
      3.600     1.600     1.600 peak  1554 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      9.307 ppm2      0.688 CV     1
 ASSI { 1555}
   (( segid " 1SG" and resid 41   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG1%)
      3.000     3.000     3.000 peak  1555 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      9.308 ppm2     -0.081 CV     1
 ASSI { 1557}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 74   and name HB2 ))
      2.400     0.700     0.700 peak  1557 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      9.237 ppm2     -0.838 CV     1
 ASSI { 1560}
   (( segid " 1SG" and resid 76   and name HN  ))
   (  segid " 1SG" and resid 76   and name HD1%)
      3.400     1.400     1.400 peak  1560 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      8.926 ppm2      0.649 CV     1
 ASSI { 1561}
   (( segid " 1SG" and resid 76   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD1%)
      3.500     1.500     1.500 peak  1561 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      8.926 ppm2      0.405 CV     1
 ASSI { 1563}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 90   and name HB2 ))
      3.200     1.200     1.200 peak  1563 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      8.696 ppm2      2.025 CV     1
 ASSI { 1564}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 40   and name HD2 ))
      3.500     1.500     1.500 peak  1564 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      8.694 ppm2      1.685 CV     1
 OR { 1564}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 40   and name HD1 ))
 ASSI { 1565}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 40   and name HG2 ))
      2.400     0.700     0.700 peak  1565 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      8.694 ppm2      1.238 CV     1
 OR { 1565}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 40   and name HG1 ))
 ASSI { 1566}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 41   and name HH2 ))
      2.900     2.900     3.100 peak  1566 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      8.470 ppm2      6.611 CV     1
 ASSI { 1570}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 75   and name HN  ))
      3.300     1.300     1.300 peak  1570 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      8.471 ppm2      9.160 CV     1
 ASSI { 1572}
   (( segid " 1SG" and resid 8    and name HN  ))
   (  segid " 1SG" and resid 28   and name HG1%)
      3.300     1.400     1.400 peak  1572 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      9.052 ppm2      0.818 CV     1
 ASSI { 1573}
   (( segid " 1SG" and resid 8    and name HN  ))
   (  segid " 1SG" and resid 29   and name HB% )
      3.600     1.700     1.700 peak  1573 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      9.052 ppm2      1.513 CV     1
 ASSI { 1574}
   (( segid " 1SG" and resid 8    and name HN  ))
   (( segid " 1SG" and resid 7    and name HB2 ))
      3.500     1.600     1.600 peak  1574 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      9.052 ppm2      2.577 CV     1
 ASSI { 1576}
   (( segid " 1SG" and resid 87   and name HN  ))
   (  segid " 1SG" and resid 87   and name HE% )
      3.600     1.600     1.600 peak  1576 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      9.114 ppm2      6.589 CV     1
 ASSI { 1577}
   (( segid " 1SG" and resid 31   and name HN  ))
   (( segid " 1SG" and resid 29   and name HA  ))
      3.000     1.100     1.100 peak  1577 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      8.417 ppm2      4.392 CV     1
 ASSI { 1578}
   (( segid " 1SG" and resid 31   and name HN  ))
   (( segid " 1SG" and resid 30   and name HA1 ))
      2.600     0.800     0.800 peak  1578 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      8.418 ppm2      3.945 CV     1
 ASSI { 1579}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 62   and name HA  ))
      3.000     3.000     3.000 peak  1579 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      8.722 ppm2      4.598 CV     1
 ASSI { 1582}
   (( segid " 1SG" and resid 10   and name HN  ))
   (( segid " 1SG" and resid 9    and name HB2 ))
      3.300     1.400     1.400 peak  1582 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      8.852 ppm2      1.895 CV     1
 ASSI { 1583}
   (( segid " 1SG" and resid 10   and name HN  ))
   (( segid " 1SG" and resid 100  and name HB2 ))
      3.400     3.400     2.600 peak  1583 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      8.852 ppm2      2.963 CV     1
 ASSI { 1584}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (( segid " 1SG" and resid 41   and name HH2 ))
      3.500     1.600     1.600 peak  1584 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1     10.779 ppm2      6.612 CV     1
 ASSI { 1585}
   (( segid " 1SG" and resid 21   and name HN  ))
   (( segid " 1SG" and resid 21   and name HB2 ))
      3.000     1.200     1.200 peak  1585 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      8.170 ppm2      3.751 CV     1
 ASSI { 1586}
   (( segid " 1SG" and resid 23   and name HN  ))
   (  segid " 1SG" and resid 104  and name HD1%)
      3.500     1.500     1.500 peak  1586 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      7.914 ppm2      0.954 CV     1
 ASSI { 1587}
   (( segid " 1SG" and resid 23   and name HN  ))
   (  segid " 1SG" and resid 22   and name HG2%)
      3.300     1.400     1.400 peak  1587 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      7.913 ppm2      0.580 CV     1
 ASSI { 1588}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      2.600     0.900     0.900 peak  1588 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      9.673 ppm2      2.815 CV     1
 ASSI { 1589}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 37   and name HB2 ))
      2.900     2.900     3.100 peak  1589 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      7.892 ppm2      1.363 CV     1
 OR { 1589}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 37   and name HG2 ))
 ASSI { 1590}
   (( segid " 1SG" and resid 39   and name HN  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      3.400     1.400     1.400 peak  1590 spectrum    1 weight  0.10000E+01 volume  0.37066E-02 ppm1      7.893 ppm2      0.175 CV     1
 ASSI { 1592}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 93   and name HB  ))
      2.700     0.900     0.900 peak  1592 spectrum    1 weight  0.10000E+01 volume  0.37122E-02 ppm1      7.547 ppm2      4.555 CV     1
 ASSI { 1593}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 95   and name HB2 ))
      3.300     1.400     1.400 peak  1593 spectrum    1 weight  0.10000E+01 volume  0.37122E-02 ppm1      7.546 ppm2      2.632 CV     1
 ASSI { 1595}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 95   and name HA  ))
      2.900     1.000     1.000 peak  1595 spectrum    1 weight  0.10000E+01 volume  0.37122E-02 ppm1      7.548 ppm2      4.750 CV     1
 ASSI { 1596}
   (( segid " 1SG" and resid 98   and name HN  ))
   (( segid " 1SG" and resid 7    and name HB2 ))
      3.200     3.200     2.800 peak  1596 spectrum    1 weight  0.10000E+01 volume  0.37122E-02 ppm1      8.415 ppm2      2.581 CV     1
 ASSI { 1597}
   (( segid " 1SG" and resid 101  and name HN  ))
   (( segid " 1SG" and resid 100  and name HB2 ))
      2.900     1.000     1.000 peak  1597 spectrum    1 weight  0.10000E+01 volume  0.37122E-02 ppm1      9.044 ppm2      2.950 CV     1
 ASSI { 1598}
   (( segid " 1SG" and resid 105  and name HN  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      3.300     1.300     1.300 peak  1598 spectrum    1 weight  0.10000E+01 volume  0.37122E-02 ppm1      8.401 ppm2      1.492 CV     1
 ASSI { 1599}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 15   and name HG2 ))
      3.100     1.200     1.200 peak  1599 spectrum    1 weight  0.10000E+01 volume  0.37122E-02 ppm1      8.404 ppm2      2.261 CV     1
 OR { 1599}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 15   and name HG1 ))
 ASSI { 1600}
   (( segid " 1SG" and resid 98   and name HN  ))
   (( segid " 1SG" and resid 91   and name HA  ))
      2.300     2.300     3.700 peak  1600 spectrum    1 weight  0.10000E+01 volume  0.37122E-02 ppm1      8.399 ppm2      4.758 CV     1
 ASSI { 1602}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 105  and name HB  ))
      3.100     1.200     1.200 peak  1602 spectrum    1 weight  0.10000E+01 volume  0.37122E-02 ppm1      8.150 ppm2      3.935 CV     1
 ASSI { 1603}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 106  and name HB  ))
      3.700     1.700     1.700 peak  1603 spectrum    1 weight  0.10000E+01 volume  0.37122E-02 ppm1      8.820 ppm2      1.850 CV     1
 ASSI { 1605}
   (( segid " 1SG" and resid 38   and name HN  ))
   (  segid " 1SG" and resid 38   and name HG2%)
      2.700     0.900     0.900 peak  1605 spectrum    1 weight  0.10000E+01 volume  0.37122E-02 ppm1      8.373 ppm2      0.790 CV     1
 ASSI { 1606}
   (( segid " 1SG" and resid 19   and name HN  ))
   (( segid " 1SG" and resid 19   and name HA2 ))
      2.600     0.800     0.800 peak  1606 spectrum    1 weight  0.10000E+01 volume  0.37122E-02 ppm1      9.828 ppm2      4.311 CV     1
 ASSI { 1608}
   (( segid " 1SG" and resid 85   and name HN  ))
   (  segid " 1SG" and resid 87   and name HD% )
      3.300     3.300     2.700 peak  1608 spectrum    1 weight  0.10000E+01 volume  0.37122E-02 ppm1      9.409 ppm2      6.792 CV     1
 ASSI { 1609}
   (( segid " 1SG" and resid 101  and name HD21))
   (( segid " 1SG" and resid 101  and name HB2 ))
      2.900     1.000     1.000 peak  1609 spectrum    1 weight  0.10000E+01 volume  0.37122E-02 ppm1      7.436 ppm2      2.696 CV     1
 ASSI { 1613}
   (( segid " 1SG" and resid 28   and name HN  ))
   (  segid " 1SG" and resid 72   and name HD% )
      3.000     1.100     1.100 peak  1613 spectrum    1 weight  0.10000E+01 volume  0.37141E-02 ppm1      9.673 ppm2      7.309 CV     1
 ASSI { 1614}
   (( segid " 1SG" and resid 68   and name HN  ))
   (( segid " 1SG" and resid 66   and name HA  ))
      3.500     1.500     1.500 peak  1614 spectrum    1 weight  0.10000E+01 volume  0.37122E-02 ppm1      7.876 ppm2      4.125 CV     1
 ASSI {    1}
   (( segid " 1SG" and resid 43   and name HD2 ))
   (( segid " 1SG" and resid 43   and name HG2 ))
      2.000     0.500     0.500 peak     1 spectrum    1 weight  0.10000E+01 volume  0.89514E-02 ppm1      1.317 ppm2      0.086 CV     1
 OR {    1}
   (( segid " 1SG" and resid 43   and name HD1 ))
   (( segid " 1SG" and resid 43   and name HG2 ))
 ASSI {    2}
   (( segid " 1SG" and resid 41   and name HA  ))
   (( segid " 1SG" and resid 89   and name HA  ))
      2.100     0.500     0.500 peak     2 spectrum    1 weight  0.10000E+01 volume  0.89543E-02 ppm1      5.478 ppm2      4.971 CV     1
 ASSI {   16}
   (( segid " 1SG" and resid 65   and name HG2 ))
   (( segid " 1SG" and resid 65   and name HB1 ))
      2.100     0.600     0.600 peak    16 spectrum    1 weight  0.10000E+01 volume  0.89584E-02 ppm1      1.688 ppm2      1.765 CV     1
 OR {   16}
   (( segid " 1SG" and resid 65   and name HG2 ))
   (( segid " 1SG" and resid 65   and name HB2 ))
 OR {   16}
   (( segid " 1SG" and resid 65   and name HG1 ))
   (( segid " 1SG" and resid 65   and name HB1 ))
 OR {   16}
   (( segid " 1SG" and resid 65   and name HG1 ))
   (( segid " 1SG" and resid 65   and name HB2 ))
 ASSI {   41}
   (( segid " 1SG" and resid 41   and name HA  ))
   (( segid " 1SG" and resid 90   and name HB2 ))
      2.400     2.400     3.600 peak    41 spectrum    1 weight  0.10000E+01 volume  0.88320E-02 ppm1      5.495 ppm2      2.057 CV     1
 ASSI {   98}
   (( segid " 1SG" and resid 87   and name HA  ))
   (( segid " 1SG" and resid 43   and name HA  ))
      2.000     0.500     0.500 peak    98 spectrum    1 weight  0.10000E+01 volume  0.88320E-02 ppm1      4.980 ppm2      4.145 CV     1
 ASSI {  113}
   (( segid " 1SG" and resid 61   and name HA  ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      2.400     2.400     3.600 peak   113 spectrum    1 weight  0.10000E+01 volume  0.88320E-02 ppm1      5.518 ppm2      2.821 CV     1
 ASSI {  131}
   (( segid " 1SG" and resid 1    and name HA  ))
   (( segid " 1SG" and resid 97   and name HB2 ))
      2.300     2.300     3.700 peak   131 spectrum    1 weight  0.10000E+01 volume  0.88464E-02 ppm1      4.624 ppm2      2.693 CV     1
 ASSI {  159}
   (  segid " 1SG" and resid 93   and name HG2%)
   (( segid " 1SG" and resid 37   and name HA  ))
      1.900     0.500     0.500 peak   159 spectrum    1 weight  0.10000E+01 volume  0.89370E-02 ppm1      1.041 ppm2      4.505 CV     1
 ASSI {  174}
   (( segid " 1SG" and resid 72   and name HB2 ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      2.000     2.000     4.000 peak   174 spectrum    1 weight  0.10000E+01 volume  0.24542E-01 ppm1      2.926 ppm2      2.791 CV     1
 ASSI {  175}
   (( segid " 1SG" and resid 32   and name HA  ))
   (( segid " 1SG" and resid 32   and name HB2 ))
      2.200     0.600     0.600 peak   175 spectrum    1 weight  0.10000E+01 volume  0.88464E-02 ppm1      4.518 ppm2      3.914 CV     1
 OR {  175}
   (( segid " 1SG" and resid 32   and name HA  ))
   (( segid " 1SG" and resid 32   and name HB1 ))
 ASSI {  183}
   (( segid " 1SG" and resid 74   and name HA  ))
   (( segid " 1SG" and resid 59   and name HA  ))
      2.000     0.500     0.500 peak   183 spectrum    1 weight  0.10000E+01 volume  0.88464E-02 ppm1      4.344 ppm2      5.189 CV     1
 ASSI {  185}
   (( segid " 1SG" and resid 74   and name HA  ))
   (  segid " 1SG" and resid 74   and name HD2%)
      2.100     0.500     0.500 peak   185 spectrum    1 weight  0.10000E+01 volume  0.88464E-02 ppm1      4.326 ppm2      0.405 CV     1
 OR {  185}
   (( segid " 1SG" and resid 74   and name HA  ))
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI {  194}
   (( segid " 1SG" and resid 34   and name HA  ))
   (( segid " 1SG" and resid 34   and name HG  ))
      2.200     0.600     0.600 peak   194 spectrum    1 weight  0.10000E+01 volume  0.88499E-02 ppm1      4.298 ppm2      0.929 CV     1
 ASSI {  226}
   (( segid " 1SG" and resid 17   and name HA  ))
   (( segid " 1SG" and resid 107  and name HB1 ))
      2.100     2.100     3.900 peak   226 spectrum    1 weight  0.10000E+01 volume  0.88556E-02 ppm1      4.795 ppm2      3.074 CV     1
 OR {  226}
   (( segid " 1SG" and resid 17   and name HA  ))
   (( segid " 1SG" and resid 107  and name HB2 ))
 ASSI {  253}
   (( segid " 1SG" and resid 55   and name HG2 ))
   (( segid " 1SG" and resid 55   and name HB2 ))
      1.900     0.500     0.500 peak   253 spectrum    1 weight  0.10000E+01 volume  0.17173E-01 ppm1      1.989 ppm2      1.788 CV     1
 OR {  253}
   (( segid " 1SG" and resid 55   and name HG1 ))
   (( segid " 1SG" and resid 55   and name HB2 ))
 ASSI {  275}
   (( segid " 1SG" and resid 81   and name HB2 ))
   (( segid " 1SG" and resid 81   and name HA  ))
      2.200     0.600     0.600 peak   275 spectrum    1 weight  0.10000E+01 volume  0.88620E-02 ppm1      1.927 ppm2      4.000 CV     1
 ASSI {  282}
   (  segid " 1SG" and resid 84   and name HG2%)
   (( segid " 1SG" and resid 84   and name HB  ))
      2.000     0.500     0.500 peak   282 spectrum    1 weight  0.10000E+01 volume  0.14618E-01 ppm1      1.497 ppm2      4.224 CV     1
 OR {  282}
   (  segid " 1SG" and resid 84   and name HG2%)
   (( segid " 1SG" and resid 84   and name HA  ))
 ASSI {  287}
   (( segid " 1SG" and resid 94   and name HG1 ))
   (( segid " 1SG" and resid 94   and name HD1 ))
      1.800     0.400     0.400 peak   287 spectrum    1 weight  0.10000E+01 volume  0.14260E-01 ppm1      1.417 ppm2      1.679 CV     1
 OR {  287}
   (( segid " 1SG" and resid 94   and name HG2 ))
   (( segid " 1SG" and resid 94   and name HD2 ))
 OR {  287}
   (( segid " 1SG" and resid 94   and name HG2 ))
   (( segid " 1SG" and resid 94   and name HD1 ))
 OR {  287}
   (( segid " 1SG" and resid 94   and name HG1 ))
   (( segid " 1SG" and resid 94   and name HD2 ))
 ASSI {  302}
   (  segid " 1SG" and resid 4    and name HD1%)
   (( segid " 1SG" and resid 4    and name HB  ))
      1.900     0.500     0.500 peak   302 spectrum    1 weight  0.10000E+01 volume  0.88649E-02 ppm1      0.966 ppm2      2.051 CV     1
 ASSI {  313}
   (  segid " 1SG" and resid 66   and name HB% )
   (( segid " 1SG" and resid 66   and name HA  ))
      2.100     0.500     0.500 peak   313 spectrum    1 weight  0.10000E+01 volume  0.12320E-01 ppm1      1.419 ppm2      4.132 CV     1
 ASSI {  328}
   (( segid " 1SG" and resid 34   and name HG  ))
   (  segid " 1SG" and resid 34   and name HD1%)
      2.100     0.600     0.600 peak   328 spectrum    1 weight  0.10000E+01 volume  0.88805E-02 ppm1      0.934 ppm2      0.862 CV     1
 OR {  328}
   (( segid " 1SG" and resid 34   and name HG  ))
   (  segid " 1SG" and resid 34   and name HD2%)
 ASSI {  335}
   (( segid " 1SG" and resid 3    and name HB2 ))
   (( segid " 1SG" and resid 4    and name HB  ))
      2.500     2.500     3.500 peak   335 spectrum    1 weight  0.10000E+01 volume  0.11220E-01 ppm1      2.299 ppm2      2.004 CV     1
 OR {  335}
   (( segid " 1SG" and resid 3    and name HB1 ))
   (( segid " 1SG" and resid 4    and name HB  ))
 ASSI {  342}
   (( segid " 1SG" and resid 36   and name HB2 ))
   (( segid " 1SG" and resid 36   and name HD2 ))
      2.100     2.100     3.900 peak   342 spectrum    1 weight  0.10000E+01 volume  0.88805E-02 ppm1      1.641 ppm2      3.510 CV     1
 ASSI {  345}
   (  segid " 1SG" and resid 69   and name HG1%)
   (( segid " 1SG" and resid 69   and name HB  ))
      2.000     0.500     0.500 peak   345 spectrum    1 weight  0.10000E+01 volume  0.10968E-01 ppm1      0.862 ppm2      1.752 CV     1
 OR {  345}
   (  segid " 1SG" and resid 69   and name HG2%)
   (( segid " 1SG" and resid 69   and name HB  ))
 ASSI {  349}
   (  segid " 1SG" and resid 82   and name HB% )
   (( segid " 1SG" and resid 82   and name HA  ))
      2.100     0.600     0.600 peak   349 spectrum    1 weight  0.10000E+01 volume  0.10740E-01 ppm1      1.321 ppm2      4.210 CV     1
 ASSI {  354}
   (( segid " 1SG" and resid 21   and name HB2 ))
   (( segid " 1SG" and resid 23   and name HB  ))
      2.200     2.200     3.800 peak   354 spectrum    1 weight  0.10000E+01 volume  0.10608E-01 ppm1      3.720 ppm2      3.604 CV     1
 ASSI {  356}
   (( segid " 1SG" and resid 104  and name HG  ))
   (( segid " 1SG" and resid 104  and name HB2 ))
      2.100     2.100     3.900 peak   356 spectrum    1 weight  0.10000E+01 volume  0.88805E-02 ppm1      1.339 ppm2      1.226 CV     1
 ASSI {  358}
   (( segid " 1SG" and resid 65   and name HD2 ))
   (( segid " 1SG" and resid 65   and name HG1 ))
      2.100     0.500     0.500 peak   358 spectrum    1 weight  0.10000E+01 volume  0.10493E-01 ppm1      3.238 ppm2      1.683 CV     1
 OR {  358}
   (( segid " 1SG" and resid 65   and name HD1 ))
   (( segid " 1SG" and resid 65   and name HG2 ))
 OR {  358}
   (( segid " 1SG" and resid 65   and name HD2 ))
   (( segid " 1SG" and resid 65   and name HG2 ))
 OR {  358}
   (( segid " 1SG" and resid 65   and name HD1 ))
   (( segid " 1SG" and resid 65   and name HG1 ))
 ASSI {  359}
   (( segid " 1SG" and resid 104  and name HG  ))
   (  segid " 1SG" and resid 104  and name HD2%)
      2.000     0.500     0.500 peak   359 spectrum    1 weight  0.10000E+01 volume  0.88805E-02 ppm1      1.342 ppm2      0.832 CV     1
 ASSI {  363}
   (  segid " 1SG" and resid 8    and name HG1%)
   (( segid " 1SG" and resid 8    and name HB  ))
      2.000     0.500     0.500 peak   363 spectrum    1 weight  0.10000E+01 volume  0.10365E-01 ppm1      0.979 ppm2      1.824 CV     1
 OR {  363}
   (  segid " 1SG" and resid 8    and name HG2%)
   (( segid " 1SG" and resid 8    and name HB  ))
 ASSI {  364}
   (( segid " 1SG" and resid 59   and name HG  ))
   (  segid " 1SG" and resid 59   and name HD2%)
      2.000     0.500     0.500 peak   364 spectrum    1 weight  0.10000E+01 volume  0.88805E-02 ppm1      1.424 ppm2      0.682 CV     1
 ASSI {  375}
   (( segid " 1SG" and resid 4    and name HG12))
   (  segid " 1SG" and resid 4    and name HG2%)
      2.000     0.500     0.500 peak   375 spectrum    1 weight  0.10000E+01 volume  0.88805E-02 ppm1      1.245 ppm2      0.917 CV     1
 ASSI {  377}
   (  segid " 1SG" and resid 71   and name HD2%)
   (  segid " 1SG" and resid 71   and name HD1%)
      2.100     0.600     0.600 peak   377 spectrum    1 weight  0.10000E+01 volume  0.10049E-01 ppm1      0.746 ppm2      0.857 CV     1
 ASSI {  384}
   (( segid " 1SG" and resid 81   and name HD2 ))
   (  segid " 1SG" and resid 18   and name HG1%)
      2.800     1.000     1.000 peak   384 spectrum    1 weight  0.10000E+01 volume  0.88833E-02 ppm1      3.587 ppm2      0.967 CV     1
 OR {  384}
   (( segid " 1SG" and resid 81   and name HD2 ))
   (  segid " 1SG" and resid 18   and name HG2%)
 ASSI {  388}
   (( segid " 1SG" and resid 34   and name HG  ))
   (( segid " 1SG" and resid 34   and name HB2 ))
      2.100     0.600     0.600 peak   388 spectrum    1 weight  0.10000E+01 volume  0.97420E-02 ppm1      0.935 ppm2      1.675 CV     1
 OR {  388}
   (( segid " 1SG" and resid 34   and name HG  ))
   (( segid " 1SG" and resid 34   and name HB1 ))
 ASSI {  403}
   (  segid " 1SG" and resid 34   and name HD2%)
   (( segid " 1SG" and resid 34   and name HB2 ))
      2.200     0.600     0.600 peak   403 spectrum    1 weight  0.10000E+01 volume  0.94973E-02 ppm1      0.863 ppm2      1.651 CV     1
 OR {  403}
   (  segid " 1SG" and resid 34   and name HD1%)
   (( segid " 1SG" and resid 34   and name HB1 ))
 OR {  403}
   (  segid " 1SG" and resid 34   and name HD2%)
   (( segid " 1SG" and resid 34   and name HB1 ))
 OR {  403}
   (  segid " 1SG" and resid 34   and name HD1%)
   (( segid " 1SG" and resid 34   and name HB2 ))
 ASSI {  404}
   (  segid " 1SG" and resid 33   and name HD1%)
   (( segid " 1SG" and resid 33   and name HB2 ))
      2.300     0.600     0.600 peak   404 spectrum    1 weight  0.10000E+01 volume  0.94506E-02 ppm1      0.873 ppm2      1.725 CV     1
 OR {  404}
   (  segid " 1SG" and resid 33   and name HD2%)
   (( segid " 1SG" and resid 33   and name HB2 ))
 ASSI {  405}
   (( segid " 1SG" and resid 96   and name HB2 ))
   (  segid " 1SG" and resid 6    and name HD2%)
      2.300     0.700     0.700 peak   405 spectrum    1 weight  0.10000E+01 volume  0.88833E-02 ppm1      1.583 ppm2      0.481 CV     1
 ASSI {  414}
   (( segid " 1SG" and resid 33   and name HB2 ))
   (( segid " 1SG" and resid 33   and name HG  ))
      2.000     0.500     0.500 peak   414 spectrum    1 weight  0.10000E+01 volume  0.88960E-02 ppm1      1.739 ppm2      0.923 CV     1
 ASSI {  415}
   (  segid " 1SG" and resid 31   and name HB% )
   (( segid " 1SG" and resid 31   and name HA  ))
      2.100     0.600     0.600 peak   415 spectrum    1 weight  0.10000E+01 volume  0.92757E-02 ppm1      1.537 ppm2      4.174 CV     1
 ASSI {  416}
   (( segid " 1SG" and resid 2    and name HB2 ))
   (( segid " 1SG" and resid 1    and name HB2 ))
      2.600     2.600     3.400 peak   416 spectrum    1 weight  0.10000E+01 volume  0.88960E-02 ppm1      2.691 ppm2      2.601 CV     1
 ASSI {  419}
   (( segid " 1SG" and resid 1    and name HB2 ))
   (( segid " 1SG" and resid 97   and name HB2 ))
      2.500     2.500     3.500 peak   419 spectrum    1 weight  0.10000E+01 volume  0.88960E-02 ppm1      2.599 ppm2      2.691 CV     1
 ASSI {  420}
   (  segid " 1SG" and resid 105  and name HG2%)
   (( segid " 1SG" and resid 105  and name HB  ))
      2.100     0.600     0.600 peak   420 spectrum    1 weight  0.10000E+01 volume  0.91540E-02 ppm1      0.923 ppm2      3.904 CV     1
 ASSI {  425}
   (  segid " 1SG" and resid 76   and name HD1%)
   (  segid " 1SG" and resid 76   and name HG2%)
      2.000     0.500     0.500 peak   425 spectrum    1 weight  0.10000E+01 volume  0.90155E-02 ppm1      0.678 ppm2      0.829 CV     1
 ASSI {  427}
   (  segid " 1SG" and resid 59   and name HD1%)
   (  segid " 1SG" and resid 59   and name HD2%)
      2.100     0.500     0.500 peak   427 spectrum    1 weight  0.10000E+01 volume  0.89462E-02 ppm1      0.863 ppm2      0.716 CV     1
 ASSI {  435}
   (( segid " 1SG" and resid 94   and name HE1 ))
   (( segid " 1SG" and resid 94   and name HD1 ))
      2.000     0.500     0.500 peak   435 spectrum    1 weight  0.10000E+01 volume  0.87754E-02 ppm1      2.967 ppm2      1.689 CV     1
 OR {  435}
   (( segid " 1SG" and resid 94   and name HE2 ))
   (( segid " 1SG" and resid 94   and name HD2 ))
 OR {  435}
   (( segid " 1SG" and resid 94   and name HE1 ))
   (( segid " 1SG" and resid 94   and name HD2 ))
 OR {  435}
   (( segid " 1SG" and resid 94   and name HE2 ))
   (( segid " 1SG" and resid 94   and name HD1 ))
 ASSI {  438}
   (( segid " 1SG" and resid 108  and name HG1 ))
   (  segid " 1SG" and resid 18   and name HG2%)
      2.200     0.600     0.600 peak   438 spectrum    1 weight  0.10000E+01 volume  0.89099E-02 ppm1      2.209 ppm2      0.961 CV     1
 OR {  438}
   (( segid " 1SG" and resid 108  and name HG2 ))
   (  segid " 1SG" and resid 18   and name HG2%)
 ASSI {  443}
   (  segid " 1SG" and resid 106  and name HG2%)
   (  segid " 1SG" and resid 106  and name HG1%)
      2.100     0.600     0.600 peak   443 spectrum    1 weight  0.10000E+01 volume  0.85469E-02 ppm1      0.390 ppm2      0.692 CV     1
 ASSI {  458}
   (  segid " 1SG" and resid 23   and name HG2%)
   (( segid " 1SG" and resid 23   and name HB  ))
      2.200     0.600     0.600 peak   458 spectrum    1 weight  0.10000E+01 volume  0.82815E-02 ppm1      0.783 ppm2      3.578 CV     1
 ASSI {  460}
   (( segid " 1SG" and resid 50   and name HB2 ))
   (( segid " 1SG" and resid 50   and name HA  ))
      2.100     0.600     0.600 peak   460 spectrum    1 weight  0.10000E+01 volume  0.89099E-02 ppm1      4.031 ppm2      3.944 CV     1
 ASSI {  463}
   (( segid " 1SG" and resid 35   and name HE2 ))
   (( segid " 1SG" and resid 35   and name HD2 ))
      2.100     0.600     0.600 peak   463 spectrum    1 weight  0.10000E+01 volume  0.80853E-02 ppm1      2.950 ppm2      1.649 CV     1
 OR {  463}
   (( segid " 1SG" and resid 35   and name HE1 ))
   (( segid " 1SG" and resid 35   and name HD1 ))
 OR {  463}
   (( segid " 1SG" and resid 35   and name HE2 ))
   (( segid " 1SG" and resid 35   and name HD1 ))
 OR {  463}
   (( segid " 1SG" and resid 35   and name HE1 ))
   (( segid " 1SG" and resid 35   and name HD2 ))
 ASSI {  464}
   (( segid " 1SG" and resid 4    and name HA  ))
   (  segid " 1SG" and resid 4    and name HG2%)
      2.200     0.600     0.600 peak   464 spectrum    1 weight  0.10000E+01 volume  0.89099E-02 ppm1      4.027 ppm2      0.915 CV     1
 ASSI {  478}
   (  segid " 1SG" and resid 84   and name HG2%)
   (( segid " 1SG" and resid 105  and name HA  ))
      2.200     0.600     0.600 peak   478 spectrum    1 weight  0.10000E+01 volume  0.77876E-02 ppm1      1.498 ppm2      4.518 CV     1
 ASSI {  480}
   (( segid " 1SG" and resid 17   and name HB  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      2.200     0.600     0.600 peak   480 spectrum    1 weight  0.10000E+01 volume  0.77599E-02 ppm1      4.089 ppm2      1.298 CV     1
 ASSI {  482}
   (  segid " 1SG" and resid 34   and name HD1%)
   (( segid " 1SG" and resid 34   and name HA  ))
      2.300     0.700     0.700 peak   482 spectrum    1 weight  0.10000E+01 volume  0.77091E-02 ppm1      0.863 ppm2      4.298 CV     1
 OR {  482}
   (  segid " 1SG" and resid 34   and name HD2%)
   (( segid " 1SG" and resid 34   and name HA  ))
 ASSI {  483}
   (  segid " 1SG" and resid 104  and name HD1%)
   (  segid " 1SG" and resid 16   and name HG2%)
      2.100     0.500     0.500 peak   483 spectrum    1 weight  0.10000E+01 volume  0.77027E-02 ppm1      0.982 ppm2      0.618 CV     1
 ASSI {  485}
   (  segid " 1SG" and resid 6    and name HD1%)
   (  segid " 1SG" and resid 6    and name HD2%)
      2.100     0.600     0.600 peak   485 spectrum    1 weight  0.10000E+01 volume  0.76381E-02 ppm1      0.674 ppm2      0.488 CV     1
 ASSI {  492}
   (  segid " 1SG" and resid 18   and name HG2%)
   (  segid " 1SG" and resid 106  and name HG2%)
      2.100     0.500     0.500 peak   492 spectrum    1 weight  0.10000E+01 volume  0.75527E-02 ppm1      0.966 ppm2      0.388 CV     1
 ASSI {  500}
   (( segid " 1SG" and resid 49   and name HG  ))
   (  segid " 1SG" and resid 49   and name HD1%)
      1.900     0.500     0.500 peak   500 spectrum    1 weight  0.10000E+01 volume  0.89543E-02 ppm1      0.799 ppm2      1.765 CV     1
 ASSI {  501}
   (  segid " 1SG" and resid 91   and name HG2%)
   (( segid " 1SG" and resid 37   and name HB2 ))
      2.100     0.500     0.500 peak   501 spectrum    1 weight  0.10000E+01 volume  0.89139E-02 ppm1      0.184 ppm2      1.380 CV     1
 OR {  501}
   (  segid " 1SG" and resid 91   and name HG2%)
   (( segid " 1SG" and resid 37   and name HG2 ))
 ASSI {  504}
   (  segid " 1SG" and resid 69   and name HG1%)
   (( segid " 1SG" and resid 69   and name HA  ))
      2.100     0.600     0.600 peak   504 spectrum    1 weight  0.10000E+01 volume  0.73923E-02 ppm1      0.862 ppm2      4.593 CV     1
 OR {  504}
   (  segid " 1SG" and resid 69   and name HG2%)
   (( segid " 1SG" and resid 69   and name HA  ))
 ASSI {  507}
   (  segid " 1SG" and resid 38   and name HG2%)
   (( segid " 1SG" and resid 38   and name HB  ))
      2.200     0.600     0.600 peak   507 spectrum    1 weight  0.10000E+01 volume  0.73565E-02 ppm1      0.828 ppm2      1.896 CV     1
 OR {  507}
   (  segid " 1SG" and resid 38   and name HG1%)
   (( segid " 1SG" and resid 38   and name HB  ))
 ASSI {  511}
   (( segid " 1SG" and resid 77   and name HB  ))
   (  segid " 1SG" and resid 77   and name HG2%)
      2.100     0.600     0.600 peak   511 spectrum    1 weight  0.10000E+01 volume  0.73329E-02 ppm1      4.025 ppm2      1.045 CV     1
 ASSI {  515}
   (  segid " 1SG" and resid 47   and name HG2%)
   (  segid " 1SG" and resid 47   and name HG1%)
      2.200     0.600     0.600 peak   515 spectrum    1 weight  0.10000E+01 volume  0.73011E-02 ppm1      0.794 ppm2      0.992 CV     1
 ASSI {  522}
   (  segid " 1SG" and resid 39   and name HG1%)
   (  segid " 1SG" and resid 39   and name HG2%)
      2.200     0.600     0.600 peak   522 spectrum    1 weight  0.10000E+01 volume  0.72025E-02 ppm1     -0.062 ppm2     -0.447 CV     1
 ASSI {  524}
   (( segid " 1SG" and resid 52   and name HD1 ))
   (( segid " 1SG" and resid 52   and name HG2 ))
      2.200     0.600     0.600 peak   524 spectrum    1 weight  0.10000E+01 volume  0.71765E-02 ppm1      1.579 ppm2      1.341 CV     1
 OR {  524}
   (( segid " 1SG" and resid 52   and name HD2 ))
   (( segid " 1SG" and resid 52   and name HG1 ))
 OR {  524}
   (( segid " 1SG" and resid 52   and name HD2 ))
   (( segid " 1SG" and resid 52   and name HG2 ))
 OR {  524}
   (( segid " 1SG" and resid 52   and name HD1 ))
   (( segid " 1SG" and resid 52   and name HG1 ))
 ASSI {  527}
   (( segid " 1SG" and resid 49   and name HG  ))
   (  segid " 1SG" and resid 59   and name HD1%)
      2.600     2.600     3.400 peak   527 spectrum    1 weight  0.10000E+01 volume  0.89168E-02 ppm1      0.848 ppm2      0.850 CV     1
 ASSI {  528}
   (( segid " 1SG" and resid 49   and name HG  ))
   (( segid " 1SG" and resid 49   and name HB2 ))
      2.100     2.100     3.900 peak   528 spectrum    1 weight  0.10000E+01 volume  0.89168E-02 ppm1      0.849 ppm2      1.542 CV     1
 ASSI {  536}
   (  segid " 1SG" and resid 38   and name HG1%)
   (( segid " 1SG" and resid 38   and name HA  ))
      2.200     0.600     0.600 peak   536 spectrum    1 weight  0.10000E+01 volume  0.70824E-02 ppm1      0.835 ppm2      3.900 CV     1
 OR {  536}
   (  segid " 1SG" and resid 38   and name HG2%)
   (( segid " 1SG" and resid 38   and name HA  ))
 ASSI {  541}
   (  segid " 1SG" and resid 59   and name HD2%)
   (  segid " 1SG" and resid 74   and name HD2%)
      2.300     0.700     0.700 peak   541 spectrum    1 weight  0.10000E+01 volume  0.70697E-02 ppm1      0.714 ppm2      0.412 CV     1
 OR {  541}
   (  segid " 1SG" and resid 59   and name HD2%)
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI {  544}
   (( segid " 1SG" and resid 54   and name HA1 ))
   (( segid " 1SG" and resid 54   and name HA2 ))
      2.000     0.500     0.500 peak   544 spectrum    1 weight  0.10000E+01 volume  0.70565E-02 ppm1      3.915 ppm2      4.302 CV     1
 ASSI {  547}
   (  segid " 1SG" and resid 33   and name HD2%)
   (( segid " 1SG" and resid 33   and name HA  ))
      2.500     0.800     0.800 peak   547 spectrum    1 weight  0.10000E+01 volume  0.70305E-02 ppm1      0.873 ppm2      4.455 CV     1
 OR {  547}
   (  segid " 1SG" and resid 33   and name HD1%)
   (( segid " 1SG" and resid 33   and name HA  ))
 ASSI {  548}
   (  segid " 1SG" and resid 28   and name HG1%)
   (  segid " 1SG" and resid 29   and name HB% )
      2.500     2.500     3.500 peak   548 spectrum    1 weight  0.10000E+01 volume  0.89168E-02 ppm1      0.819 ppm2      1.521 CV     1
 ASSI {  557}
   (  segid " 1SG" and resid 59   and name HD1%)
   (  segid " 1SG" and resid 57   and name HD1%)
      2.900     1.100     1.100 peak   557 spectrum    1 weight  0.10000E+01 volume  0.68805E-02 ppm1      0.824 ppm2      0.604 CV     1
 OR {  557}
   (  segid " 1SG" and resid 59   and name HD1%)
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI {  558}
   (  segid " 1SG" and resid 29   and name HB% )
   (( segid " 1SG" and resid 29   and name HA  ))
      2.100     0.600     0.600 peak   558 spectrum    1 weight  0.10000E+01 volume  0.68580E-02 ppm1      1.520 ppm2      4.393 CV     1
 ASSI {  563}
   (  segid " 1SG" and resid 104  and name HD2%)
   (  segid " 1SG" and resid 106  and name HG1%)
      2.300     0.600     0.600 peak   563 spectrum    1 weight  0.10000E+01 volume  0.67466E-02 ppm1      0.837 ppm2      0.684 CV     1
 ASSI {  571}
   (  segid " 1SG" and resid 93   and name HG2%)
   (( segid " 1SG" and resid 93   and name HB  ))
      2.100     0.600     0.600 peak   571 spectrum    1 weight  0.10000E+01 volume  0.66785E-02 ppm1      1.040 ppm2      4.557 CV     1
 ASSI {  572}
   (  segid " 1SG" and resid 104  and name HD2%)
   (  segid " 1SG" and resid 104  and name HD1%)
      2.100     0.600     0.600 peak   572 spectrum    1 weight  0.10000E+01 volume  0.66526E-02 ppm1      0.836 ppm2      0.981 CV     1
 ASSI {  574}
   (  segid " 1SG" and resid 53   and name HG2%)
   (( segid " 1SG" and resid 53   and name HB  ))
      2.100     0.600     0.600 peak   574 spectrum    1 weight  0.10000E+01 volume  0.66197E-02 ppm1      1.080 ppm2      2.129 CV     1
 OR {  574}
   (  segid " 1SG" and resid 53   and name HG1%)
   (( segid " 1SG" and resid 53   and name HB  ))
 ASSI {  581}
   (( segid " 1SG" and resid 67   and name HB1 ))
   (( segid " 1SG" and resid 67   and name HA  ))
      2.300     0.700     0.700 peak   581 spectrum    1 weight  0.10000E+01 volume  0.65354E-02 ppm1      3.729 ppm2      4.301 CV     1
 OR {  581}
   (( segid " 1SG" and resid 67   and name HB2 ))
   (( segid " 1SG" and resid 67   and name HA  ))
 ASSI {  582}
   (( segid " 1SG" and resid 53   and name HB  ))
   (  segid " 1SG" and resid 53   and name HG1%)
      2.200     0.600     0.600 peak   582 spectrum    1 weight  0.10000E+01 volume  0.65302E-02 ppm1      2.134 ppm2      1.116 CV     1
 ASSI {  589}
   (  segid " 1SG" and resid 76   and name HG2%)
   (  segid " 1SG" and resid 57   and name HD2%)
      2.600     0.800     0.800 peak   589 spectrum    1 weight  0.10000E+01 volume  0.89226E-02 ppm1      0.826 ppm2      0.616 CV     1
 OR {  589}
   (  segid " 1SG" and resid 76   and name HG2%)
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI {  592}
   (( segid " 1SG" and resid 53   and name HB  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      2.100     0.500     0.500 peak   592 spectrum    1 weight  0.10000E+01 volume  0.64287E-02 ppm1      2.134 ppm2      1.084 CV     1
 ASSI {  594}
   (  segid " 1SG" and resid 76   and name HD1%)
   (  segid " 1SG" and resid 74   and name HD1%)
      2.000     0.500     0.500 peak   594 spectrum    1 weight  0.10000E+01 volume  0.89226E-02 ppm1      0.676 ppm2      0.417 CV     1
 ASSI {  604}
   (( segid " 1SG" and resid 85   and name HA1 ))
   (( segid " 1SG" and resid 85   and name HA2 ))
      1.900     0.500     0.500 peak   604 spectrum    1 weight  0.10000E+01 volume  0.63381E-02 ppm1      3.939 ppm2      4.518 CV     1
 ASSI {  606}
   (( segid " 1SG" and resid 89   and name HA  ))
   (( segid " 1SG" and resid 99   and name HB2 ))
      2.400     2.400     3.600 peak   606 spectrum    1 weight  0.10000E+01 volume  0.89226E-02 ppm1      4.981 ppm2      2.748 CV     1
 ASSI {  611}
   (( segid " 1SG" and resid 20   and name HA2 ))
   (( segid " 1SG" and resid 20   and name HA1 ))
      2.000     0.500     0.500 peak   611 spectrum    1 weight  0.10000E+01 volume  0.62446E-02 ppm1      4.387 ppm2      3.737 CV     1
 ASSI {  613}
   (( segid " 1SG" and resid 3    and name HD1 ))
   (( segid " 1SG" and resid 2    and name HA  ))
      2.200     0.600     0.600 peak   613 spectrum    1 weight  0.10000E+01 volume  0.62186E-02 ppm1      3.854 ppm2      4.913 CV     1
 OR {  613}
   (( segid " 1SG" and resid 3    and name HD2 ))
   (( segid " 1SG" and resid 2    and name HA  ))
 ASSI {  617}
   (( segid " 1SG" and resid 84   and name HB  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      2.300     0.700     0.700 peak   617 spectrum    1 weight  0.10000E+01 volume  0.61644E-02 ppm1      4.220 ppm2      1.497 CV     1
 ASSI {  623}
   (( segid " 1SG" and resid 38   and name HB  ))
   (  segid " 1SG" and resid 38   and name HG2%)
      2.300     0.600     0.600 peak   623 spectrum    1 weight  0.10000E+01 volume  0.61078E-02 ppm1      1.893 ppm2      0.790 CV     1
 ASSI {  625}
   (( segid " 1SG" and resid 49   and name HG  ))
   (  segid " 1SG" and resid 49   and name HD2%)
      2.000     0.500     0.500 peak   625 spectrum    1 weight  0.10000E+01 volume  0.60628E-02 ppm1      0.805 ppm2      1.028 CV     1
 ASSI {  628}
   (  segid " 1SG" and resid 91   and name HG2%)
   (  segid " 1SG" and resid 39   and name HG2%)
      2.200     0.600     0.600 peak   628 spectrum    1 weight  0.10000E+01 volume  0.60051E-02 ppm1      0.172 ppm2     -0.446 CV     1
 OR {  628}
   (  segid " 1SG" and resid 91   and name HG1%)
   (  segid " 1SG" and resid 39   and name HG2%)
 ASSI {  629}
   (  segid " 1SG" and resid 106  and name HG2%)
   (  segid " 1SG" and resid 18   and name HG2%)
      2.200     0.600     0.600 peak   629 spectrum    1 weight  0.10000E+01 volume  0.59134E-02 ppm1      0.390 ppm2      0.968 CV     1
 OR {  629}
   (  segid " 1SG" and resid 106  and name HG2%)
   (  segid " 1SG" and resid 18   and name HG1%)
 ASSI {  638}
   (  segid " 1SG" and resid 74   and name HD2%)
   (  segid " 1SG" and resid 26   and name HB% )
      2.000     2.000     4.000 peak   638 spectrum    1 weight  0.10000E+01 volume  0.89226E-02 ppm1      0.410 ppm2      1.483 CV     1
 OR {  638}
   (  segid " 1SG" and resid 74   and name HD1%)
   (  segid " 1SG" and resid 26   and name HB% )
 ASSI {  647}
   (( segid " 1SG" and resid 15   and name HB2 ))
   (( segid " 1SG" and resid 15   and name HG2 ))
      2.300     0.700     0.700 peak   647 spectrum    1 weight  0.10000E+01 volume  0.57244E-02 ppm1      2.041 ppm2      2.277 CV     1
 OR {  647}
   (( segid " 1SG" and resid 15   and name HB1 ))
   (( segid " 1SG" and resid 15   and name HG1 ))
 OR {  647}
   (( segid " 1SG" and resid 15   and name HB2 ))
   (( segid " 1SG" and resid 15   and name HG1 ))
 OR {  647}
   (( segid " 1SG" and resid 15   and name HB1 ))
   (( segid " 1SG" and resid 15   and name HG2 ))
 ASSI {  649}
   (  segid " 1SG" and resid 105  and name HG2%)
   (( segid " 1SG" and resid 105  and name HA  ))
      2.300     0.700     0.700 peak   649 spectrum    1 weight  0.10000E+01 volume  0.57048E-02 ppm1      0.923 ppm2      4.518 CV     1
 ASSI {  651}
   (  segid " 1SG" and resid 8    and name HG1%)
   (( segid " 1SG" and resid 8    and name HA  ))
      2.300     0.700     0.700 peak   651 spectrum    1 weight  0.10000E+01 volume  0.56812E-02 ppm1      0.964 ppm2      4.174 CV     1
 OR {  651}
   (  segid " 1SG" and resid 8    and name HG2%)
   (( segid " 1SG" and resid 8    and name HA  ))
 ASSI {  653}
   (  segid " 1SG" and resid 57   and name HD2%)
   (  segid " 1SG" and resid 74   and name HD1%)
      2.300     0.700     0.700 peak   653 spectrum    1 weight  0.10000E+01 volume  0.56650E-02 ppm1      0.612 ppm2      0.416 CV     1
 OR {  653}
   (  segid " 1SG" and resid 57   and name HD1%)
   (  segid " 1SG" and resid 74   and name HD1%)
 OR {  653}
   (  segid " 1SG" and resid 57   and name HD2%)
   (  segid " 1SG" and resid 74   and name HD2%)
 ASSI {  655}
   (( segid " 1SG" and resid 92   and name HB1 ))
   (( segid " 1SG" and resid 92   and name HA  ))
      2.300     0.700     0.700 peak   655 spectrum    1 weight  0.10000E+01 volume  0.56507E-02 ppm1      3.943 ppm2      5.264 CV     1
 OR {  655}
   (( segid " 1SG" and resid 92   and name HB2 ))
   (( segid " 1SG" and resid 92   and name HA  ))
 ASSI {  656}
   (( segid " 1SG" and resid 38   and name HB  ))
   (  segid " 1SG" and resid 38   and name HG1%)
      2.300     0.700     0.700 peak   656 spectrum    1 weight  0.10000E+01 volume  0.56398E-02 ppm1      1.893 ppm2      0.842 CV     1
 ASSI {  660}
   (( segid " 1SG" and resid 18   and name HB  ))
   (  segid " 1SG" and resid 18   and name HG1%)
      2.300     0.700     0.700 peak   660 spectrum    1 weight  0.10000E+01 volume  0.55605E-02 ppm1      1.940 ppm2      1.009 CV     1
 ASSI {  667}
   (( segid " 1SG" and resid 94   and name HE2 ))
   (( segid " 1SG" and resid 94   and name HG1 ))
      2.500     0.800     0.800 peak   667 spectrum    1 weight  0.10000E+01 volume  0.54655E-02 ppm1      2.982 ppm2      1.410 CV     1
 OR {  667}
   (( segid " 1SG" and resid 94   and name HE2 ))
   (( segid " 1SG" and resid 94   and name HG2 ))
 OR {  667}
   (( segid " 1SG" and resid 94   and name HE1 ))
   (( segid " 1SG" and resid 94   and name HG1 ))
 OR {  667}
   (( segid " 1SG" and resid 94   and name HE1 ))
   (( segid " 1SG" and resid 94   and name HG2 ))
 ASSI {  676}
   (( segid " 1SG" and resid 32   and name HB2 ))
   (( segid " 1SG" and resid 33   and name HA  ))
      2.500     2.500     3.500 peak   676 spectrum    1 weight  0.10000E+01 volume  0.53925E-02 ppm1      3.910 ppm2      4.466 CV     1
 OR {  676}
   (( segid " 1SG" and resid 32   and name HB1 ))
   (( segid " 1SG" and resid 33   and name HA  ))
 ASSI {  677}
   (  segid " 1SG" and resid 104  and name HD1%)
   (  segid " 1SG" and resid 22   and name HD1%)
      2.500     0.800     0.800 peak   677 spectrum    1 weight  0.10000E+01 volume  0.53924E-02 ppm1      0.982 ppm2      0.547 CV     1
 ASSI {  679}
   (  segid " 1SG" and resid 47   and name HG1%)
   (( segid " 1SG" and resid 47   and name HA  ))
      2.300     0.700     0.700 peak   679 spectrum    1 weight  0.10000E+01 volume  0.53826E-02 ppm1      0.996 ppm2      4.076 CV     1
 ASSI {  681}
   (( segid " 1SG" and resid 68   and name HG2 ))
   (( segid " 1SG" and resid 68   and name HD1 ))
      2.200     0.600     0.600 peak   681 spectrum    1 weight  0.10000E+01 volume  0.53816E-02 ppm1      1.326 ppm2      1.682 CV     1
 OR {  681}
   (( segid " 1SG" and resid 68   and name HG2 ))
   (( segid " 1SG" and resid 68   and name HD2 ))
 OR {  681}
   (( segid " 1SG" and resid 68   and name HG1 ))
   (( segid " 1SG" and resid 68   and name HD1 ))
 OR {  681}
   (( segid " 1SG" and resid 68   and name HG1 ))
   (( segid " 1SG" and resid 68   and name HD2 ))
 ASSI {  684}
   (  segid " 1SG" and resid 53   and name HG2%)
   (( segid " 1SG" and resid 53   and name HA  ))
      2.000     0.500     0.500 peak   684 spectrum    1 weight  0.10000E+01 volume  0.89226E-02 ppm1      1.079 ppm2      4.054 CV     1
 OR {  684}
   (  segid " 1SG" and resid 53   and name HG1%)
   (( segid " 1SG" and resid 53   and name HA  ))
 ASSI {  685}
   (( segid " 1SG" and resid 44   and name HA1 ))
   (( segid " 1SG" and resid 44   and name HA2 ))
      2.000     0.500     0.500 peak   685 spectrum    1 weight  0.10000E+01 volume  0.53617E-02 ppm1      3.476 ppm2      3.825 CV     1
 ASSI {  689}
   (  segid " 1SG" and resid 57   and name HD1%)
   (( segid " 1SG" and resid 57   and name HG  ))
      2.100     0.600     0.600 peak   689 spectrum    1 weight  0.10000E+01 volume  0.53329E-02 ppm1      0.618 ppm2      0.749 CV     1
 OR {  689}
   (  segid " 1SG" and resid 57   and name HD2%)
   (( segid " 1SG" and resid 57   and name HG  ))
 ASSI {  690}
   (  segid " 1SG" and resid 53   and name HG1%)
   (  segid " 1SG" and resid 59   and name HD1%)
      2.600     0.800     0.800 peak   690 spectrum    1 weight  0.10000E+01 volume  0.89226E-02 ppm1      1.118 ppm2      0.869 CV     1
 ASSI {  691}
   (  segid " 1SG" and resid 53   and name HG1%)
   (  segid " 1SG" and resid 57   and name HD1%)
      2.500     0.800     0.800 peak   691 spectrum    1 weight  0.10000E+01 volume  0.89226E-02 ppm1      1.118 ppm2      0.614 CV     1
 OR {  691}
   (  segid " 1SG" and resid 53   and name HG1%)
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI {  692}
   (  segid " 1SG" and resid 53   and name HG1%)
   (  segid " 1SG" and resid 53   and name HG2%)
      2.100     0.500     0.500 peak   692 spectrum    1 weight  0.10000E+01 volume  0.89226E-02 ppm1      1.122 ppm2      1.070 CV     1
 ASSI {  695}
   (  segid " 1SG" and resid 53   and name HG2%)
   (  segid " 1SG" and resid 57   and name HD1%)
      2.200     0.600     0.600 peak   695 spectrum    1 weight  0.10000E+01 volume  0.52685E-02 ppm1      1.077 ppm2      0.618 CV     1
 OR {  695}
   (  segid " 1SG" and resid 53   and name HG2%)
   (  segid " 1SG" and resid 57   and name HD2%)
 OR {  695}
   (  segid " 1SG" and resid 53   and name HG1%)
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI {  698}
   (( segid " 1SG" and resid 68   and name HE2 ))
   (( segid " 1SG" and resid 68   and name HG1 ))
      2.300     0.700     0.700 peak   698 spectrum    1 weight  0.10000E+01 volume  0.52537E-02 ppm1      3.029 ppm2      1.285 CV     1
 OR {  698}
   (( segid " 1SG" and resid 68   and name HE1 ))
   (( segid " 1SG" and resid 68   and name HG1 ))
 OR {  698}
   (( segid " 1SG" and resid 68   and name HE2 ))
   (( segid " 1SG" and resid 68   and name HG2 ))
 OR {  698}
   (( segid " 1SG" and resid 68   and name HE1 ))
   (( segid " 1SG" and resid 68   and name HG2 ))
 ASSI {  699}
   (  segid " 1SG" and resid 53   and name HG1%)
   (( segid " 1SG" and resid 53   and name HA  ))
      2.100     0.500     0.500 peak   699 spectrum    1 weight  0.10000E+01 volume  0.89226E-02 ppm1      1.119 ppm2      4.050 CV     1
 ASSI {  712}
   (( segid " 1SG" and resid 27   and name HD2 ))
   (( segid " 1SG" and resid 27   and name HB1 ))
      2.300     0.700     0.700 peak   712 spectrum    1 weight  0.10000E+01 volume  0.51214E-02 ppm1      3.128 ppm2      1.583 CV     1
 OR {  712}
   (( segid " 1SG" and resid 27   and name HD2 ))
   (( segid " 1SG" and resid 27   and name HB2 ))
 OR {  712}
   (( segid " 1SG" and resid 27   and name HD1 ))
   (( segid " 1SG" and resid 27   and name HB2 ))
 OR {  712}
   (( segid " 1SG" and resid 27   and name HD1 ))
   (( segid " 1SG" and resid 27   and name HB1 ))
 ASSI {  725}
   (  segid " 1SG" and resid 71   and name HD1%)
   (( segid " 1SG" and resid 71   and name HB2 ))
      2.100     0.600     0.600 peak   725 spectrum    1 weight  0.10000E+01 volume  0.89393E-02 ppm1      0.856 ppm2      1.270 CV     1
 ASSI {  731}
   (  segid " 1SG" and resid 91   and name HG1%)
   (( segid " 1SG" and resid 91   and name HB  ))
      2.200     0.600     0.600 peak   731 spectrum    1 weight  0.10000E+01 volume  0.50189E-02 ppm1      0.175 ppm2      1.130 CV     1
 OR {  731}
   (  segid " 1SG" and resid 91   and name HG2%)
   (( segid " 1SG" and resid 91   and name HB  ))
 ASSI {  739}
   (( segid " 1SG" and resid 14   and name HA2 ))
   (( segid " 1SG" and resid 14   and name HA1 ))
      2.000     0.500     0.500 peak   739 spectrum    1 weight  0.10000E+01 volume  0.49776E-02 ppm1      4.937 ppm2      3.749 CV     1
 ASSI {  742}
   (( segid " 1SG" and resid 4    and name HG12))
   (  segid " 1SG" and resid 4    and name HD1%)
      2.200     0.600     0.600 peak   742 spectrum    1 weight  0.10000E+01 volume  0.49621E-02 ppm1      1.241 ppm2      0.966 CV     1
 ASSI {  745}
   (( segid " 1SG" and resid 43   and name HE2 ))
   (( segid " 1SG" and resid 43   and name HG2 ))
      2.000     0.500     0.500 peak   745 spectrum    1 weight  0.10000E+01 volume  0.89514E-02 ppm1      2.518 ppm2      0.081 CV     1
 ASSI {  751}
   (  segid " 1SG" and resid 93   and name HG2%)
   (  segid " 1SG" and resid 6    and name HD1%)
      2.300     0.700     0.700 peak   751 spectrum    1 weight  0.10000E+01 volume  0.49092E-02 ppm1      1.039 ppm2      0.675 CV     1
 ASSI {  760}
   (( segid " 1SG" and resid 68   and name HD1 ))
   (( segid " 1SG" and resid 68   and name HE2 ))
      2.300     0.700     0.700 peak   760 spectrum    1 weight  0.10000E+01 volume  0.48388E-02 ppm1      1.678 ppm2      3.029 CV     1
 OR {  760}
   (( segid " 1SG" and resid 68   and name HD2 ))
   (( segid " 1SG" and resid 68   and name HE1 ))
 OR {  760}
   (( segid " 1SG" and resid 68   and name HD2 ))
   (( segid " 1SG" and resid 68   and name HE2 ))
 OR {  760}
   (( segid " 1SG" and resid 68   and name HD1 ))
   (( segid " 1SG" and resid 68   and name HE1 ))
 ASSI {  761}
   (  segid " 1SG" and resid 6    and name HD1%)
   (( segid " 1SG" and resid 6    and name HA  ))
      2.300     0.600     0.600 peak   761 spectrum    1 weight  0.10000E+01 volume  0.48206E-02 ppm1      0.673 ppm2      4.461 CV     1
 ASSI {  765}
   (  segid " 1SG" and resid 79   and name HB% )
   (  segid " 1SG" and resid 106  and name HG1%)
      2.700     0.900     0.900 peak   765 spectrum    1 weight  0.10000E+01 volume  0.47963E-02 ppm1      1.194 ppm2      0.689 CV     1
 ASSI {  773}
   (( segid " 1SG" and resid 93   and name HB  ))
   (( segid " 1SG" and resid 93   and name HA  ))
      2.400     0.700     0.700 peak   773 spectrum    1 weight  0.10000E+01 volume  0.47395E-02 ppm1      4.558 ppm2      4.791 CV     1
 ASSI {  775}
   (  segid " 1SG" and resid 77   and name HG2%)
   (( segid " 1SG" and resid 77   and name HA  ))
      2.400     0.700     0.700 peak   775 spectrum    1 weight  0.10000E+01 volume  0.47326E-02 ppm1      1.047 ppm2      4.663 CV     1
 ASSI {  776}
   (( segid " 1SG" and resid 108  and name HG1 ))
   (( segid " 1SG" and resid 108  and name HB2 ))
      2.400     0.700     0.700 peak   776 spectrum    1 weight  0.10000E+01 volume  0.47263E-02 ppm1      2.213 ppm2      1.913 CV     1
 OR {  776}
   (( segid " 1SG" and resid 108  and name HG2 ))
   (( segid " 1SG" and resid 108  and name HB2 ))
 ASSI {  777}
   (( segid " 1SG" and resid 65   and name HD1 ))
   (( segid " 1SG" and resid 65   and name HB2 ))
      2.500     0.800     0.800 peak   777 spectrum    1 weight  0.10000E+01 volume  0.47242E-02 ppm1      3.235 ppm2      1.762 CV     1
 OR {  777}
   (( segid " 1SG" and resid 65   and name HD2 ))
   (( segid " 1SG" and resid 65   and name HB2 ))
 OR {  777}
   (( segid " 1SG" and resid 65   and name HD1 ))
   (( segid " 1SG" and resid 65   and name HB1 ))
 OR {  777}
   (( segid " 1SG" and resid 65   and name HD2 ))
   (( segid " 1SG" and resid 65   and name HB1 ))
 ASSI {  778}
   (  segid " 1SG" and resid 39   and name HG2%)
   (  segid " 1SG" and resid 91   and name HG2%)
      2.200     0.600     0.600 peak   778 spectrum    1 weight  0.10000E+01 volume  0.47203E-02 ppm1     -0.446 ppm2      0.165 CV     1
 ASSI {  784}
   (( segid " 1SG" and resid 29   and name HA  ))
   (( segid " 1SG" and resid 6    and name HA  ))
      2.900     2.900     3.100 peak   784 spectrum    1 weight  0.10000E+01 volume  0.47049E-02 ppm1      4.446 ppm2      4.446 CV     1
 ASSI {  787}
   (( segid " 1SG" and resid 61   and name HB2 ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      2.700     2.700     3.300 peak   787 spectrum    1 weight  0.10000E+01 volume  0.46838E-02 ppm1      2.304 ppm2      2.785 CV     1
 ASSI {  789}
   (  segid " 1SG" and resid 79   and name HB% )
   (  segid " 1SG" and resid 104  and name HD2%)
      2.300     0.700     0.700 peak   789 spectrum    1 weight  0.10000E+01 volume  0.46572E-02 ppm1      1.197 ppm2      0.828 CV     1
 ASSI {  794}
   (( segid " 1SG" and resid 38   and name HA  ))
   (  segid " 1SG" and resid 38   and name HG1%)
      2.400     0.700     0.700 peak   794 spectrum    1 weight  0.10000E+01 volume  0.46383E-02 ppm1      3.904 ppm2      0.841 CV     1
 ASSI {  795}
   (( segid " 1SG" and resid 30   and name HA1 ))
   (( segid " 1SG" and resid 30   and name HA2 ))
      2.100     0.500     0.500 peak   795 spectrum    1 weight  0.10000E+01 volume  0.46380E-02 ppm1      3.952 ppm2      4.673 CV     1
 ASSI {  798}
   (( segid " 1SG" and resid 35   and name HE2 ))
   (  segid " 1SG" and resid 38   and name HG2%)
      2.400     0.700     0.700 peak   798 spectrum    1 weight  0.10000E+01 volume  0.46320E-02 ppm1      2.906 ppm2      0.791 CV     1
 OR {  798}
   (( segid " 1SG" and resid 35   and name HE1 ))
   (  segid " 1SG" and resid 38   and name HG2%)
 ASSI {  801}
   (  segid " 1SG" and resid 28   and name HG2%)
   (  segid " 1SG" and resid 91   and name HG2%)
      2.700     0.900     0.900 peak   801 spectrum    1 weight  0.10000E+01 volume  0.46131E-02 ppm1      0.651 ppm2      0.165 CV     1
 ASSI {  802}
   (( segid " 1SG" and resid 79   and name HA  ))
   (  segid " 1SG" and resid 79   and name HB% )
      2.300     0.700     0.700 peak   802 spectrum    1 weight  0.10000E+01 volume  0.46080E-02 ppm1      3.689 ppm2      1.194 CV     1
 ASSI {  804}
   (  segid " 1SG" and resid 91   and name HG2%)
   (  segid " 1SG" and resid 6    and name HD2%)
      2.300     0.600     0.600 peak   804 spectrum    1 weight  0.10000E+01 volume  0.46035E-02 ppm1      0.186 ppm2      0.489 CV     1
 OR {  804}
   (  segid " 1SG" and resid 91   and name HG1%)
   (  segid " 1SG" and resid 6    and name HD2%)
 ASSI {  808}
   (( segid " 1SG" and resid 57   and name HG  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      2.100     0.600     0.600 peak   808 spectrum    1 weight  0.10000E+01 volume  0.45748E-02 ppm1      0.750 ppm2      1.460 CV     1
 ASSI {  814}
   (( segid " 1SG" and resid 34   and name HA  ))
   (( segid " 1SG" and resid 34   and name HB1 ))
      2.400     0.700     0.700 peak   814 spectrum    1 weight  0.10000E+01 volume  0.45543E-02 ppm1      4.298 ppm2      1.673 CV     1
 OR {  814}
   (( segid " 1SG" and resid 34   and name HA  ))
   (( segid " 1SG" and resid 34   and name HB2 ))
 ASSI {  816}
   (  segid " 1SG" and resid 16   and name HG2%)
   (  segid " 1SG" and resid 79   and name HB% )
      2.300     0.700     0.700 peak   816 spectrum    1 weight  0.10000E+01 volume  0.45428E-02 ppm1      0.628 ppm2      1.196 CV     1
 ASSI {  818}
   (( segid " 1SG" and resid 12   and name HG1 ))
   (( segid " 1SG" and resid 12   and name HB2 ))
      2.400     0.700     0.700 peak   818 spectrum    1 weight  0.10000E+01 volume  0.45349E-02 ppm1      2.482 ppm2      1.977 CV     1
 OR {  818}
   (( segid " 1SG" and resid 12   and name HG2 ))
   (( segid " 1SG" and resid 12   and name HB2 ))
 ASSI {  826}
   (  segid " 1SG" and resid 26   and name HB% )
   (( segid " 1SG" and resid 26   and name HA  ))
      2.300     0.700     0.700 peak   826 spectrum    1 weight  0.10000E+01 volume  0.44795E-02 ppm1      1.469 ppm2      4.924 CV     1
 ASSI {  828}
   (( segid " 1SG" and resid 80   and name HG1 ))
   (( segid " 1SG" and resid 80   and name HB2 ))
      2.400     0.700     0.700 peak   828 spectrum    1 weight  0.10000E+01 volume  0.44462E-02 ppm1      2.181 ppm2      1.949 CV     1
 OR {  828}
   (( segid " 1SG" and resid 80   and name HG2 ))
   (( segid " 1SG" and resid 80   and name HB1 ))
 OR {  828}
   (( segid " 1SG" and resid 80   and name HG1 ))
   (( segid " 1SG" and resid 80   and name HB1 ))
 OR {  828}
   (( segid " 1SG" and resid 80   and name HG2 ))
   (( segid " 1SG" and resid 80   and name HB2 ))
 ASSI {  833}
   (  segid " 1SG" and resid 47   and name HG2%)
   (( segid " 1SG" and resid 47   and name HB  ))
      2.300     0.700     0.700 peak   833 spectrum    1 weight  0.10000E+01 volume  0.43432E-02 ppm1      0.794 ppm2      2.534 CV     1
 ASSI {  836}
   (  segid " 1SG" and resid 4    and name HG2%)
   (( segid " 1SG" and resid 4    and name HB  ))
      2.200     0.600     0.600 peak   836 spectrum    1 weight  0.10000E+01 volume  0.43038E-02 ppm1      0.914 ppm2      2.051 CV     1
 ASSI {  837}
   (  segid " 1SG" and resid 33   and name HD1%)
   (  segid " 1SG" and resid 93   and name HG2%)
      2.400     0.700     0.700 peak   837 spectrum    1 weight  0.10000E+01 volume  0.43025E-02 ppm1      0.872 ppm2      1.036 CV     1
 OR {  837}
   (  segid " 1SG" and resid 33   and name HD2%)
   (  segid " 1SG" and resid 93   and name HG2%)
 ASSI {  845}
   (  segid " 1SG" and resid 23   and name HG2%)
   (( segid " 1SG" and resid 23   and name HA  ))
      2.400     0.700     0.700 peak   845 spectrum    1 weight  0.10000E+01 volume  0.42630E-02 ppm1      0.784 ppm2      5.116 CV     1
 ASSI {  852}
   (( segid " 1SG" and resid 45   and name HD1 ))
   (( segid " 1SG" and resid 45   and name HG2 ))
      2.500     0.800     0.800 peak   852 spectrum    1 weight  0.10000E+01 volume  0.42322E-02 ppm1      1.241 ppm2      0.603 CV     1
 OR {  852}
   (( segid " 1SG" and resid 45   and name HD2 ))
   (( segid " 1SG" and resid 45   and name HG2 ))
 OR {  852}
   (( segid " 1SG" and resid 45   and name HD2 ))
   (( segid " 1SG" and resid 45   and name HB2 ))
 OR {  852}
   (( segid " 1SG" and resid 45   and name HD1 ))
   (( segid " 1SG" and resid 45   and name HB2 ))
 ASSI {  854}
   (  segid " 1SG" and resid 39   and name HG2%)
   (( segid " 1SG" and resid 39   and name HB  ))
      2.300     0.700     0.700 peak   854 spectrum    1 weight  0.10000E+01 volume  0.42084E-02 ppm1     -0.446 ppm2      0.589 CV     1
 ASSI {  857}
   (  segid " 1SG" and resid 47   and name HG1%)
   (( segid " 1SG" and resid 47   and name HB  ))
      2.300     0.700     0.700 peak   857 spectrum    1 weight  0.10000E+01 volume  0.41678E-02 ppm1      0.995 ppm2      2.528 CV     1
 ASSI {  859}
   (  segid " 1SG" and resid 104  and name HD2%)
   (  segid " 1SG" and resid 16   and name HG2%)
      2.700     0.900     0.900 peak   859 spectrum    1 weight  0.10000E+01 volume  0.41485E-02 ppm1      0.837 ppm2      0.615 CV     1
 ASSI {  862}
   (  segid " 1SG" and resid 16   and name HG2%)
   (  segid " 1SG" and resid 106  and name HG2%)
      2.500     0.800     0.800 peak   862 spectrum    1 weight  0.10000E+01 volume  0.41393E-02 ppm1      0.633 ppm2      0.390 CV     1
 ASSI {  866}
   (( segid " 1SG" and resid 55   and name HG1 ))
   (( segid " 1SG" and resid 55   and name HA  ))
      2.500     0.800     0.800 peak   866 spectrum    1 weight  0.10000E+01 volume  0.41133E-02 ppm1      1.990 ppm2      4.001 CV     1
 OR {  866}
   (( segid " 1SG" and resid 55   and name HG2 ))
   (( segid " 1SG" and resid 55   and name HA  ))
 ASSI {  867}
   (  segid " 1SG" and resid 59   and name HD2%)
   (( segid " 1SG" and resid 59   and name HA  ))
      2.400     0.700     0.700 peak   867 spectrum    1 weight  0.10000E+01 volume  0.40996E-02 ppm1      0.713 ppm2      5.190 CV     1
 ASSI {  873}
   (( segid " 1SG" and resid 91   and name HB  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      2.300     0.600     0.600 peak   873 spectrum    1 weight  0.10000E+01 volume  0.40720E-02 ppm1      1.132 ppm2      0.172 CV     1
 ASSI {  882}
   (( segid " 1SG" and resid 38   and name HA  ))
   (  segid " 1SG" and resid 38   and name HG2%)
      2.500     0.800     0.800 peak   882 spectrum    1 weight  0.10000E+01 volume  0.40154E-02 ppm1      3.900 ppm2      0.791 CV     1
 ASSI {  885}
   (( segid " 1SG" and resid 62   and name HB2 ))
   (( segid " 1SG" and resid 62   and name HA  ))
      2.700     0.900     0.900 peak   885 spectrum    1 weight  0.10000E+01 volume  0.40020E-02 ppm1      3.814 ppm2      4.609 CV     1
 ASSI {  887}
   (  segid " 1SG" and resid 93   and name HG2%)
   (( segid " 1SG" and resid 93   and name HA  ))
      2.400     0.700     0.700 peak   887 spectrum    1 weight  0.10000E+01 volume  0.39998E-02 ppm1      1.040 ppm2      4.794 CV     1
 ASSI {  894}
   (( segid " 1SG" and resid 52   and name HD1 ))
   (  segid " 1SG" and resid 47   and name HG1%)
      2.500     2.500     3.500 peak   894 spectrum    1 weight  0.10000E+01 volume  0.39646E-02 ppm1      1.585 ppm2      0.965 CV     1
 OR {  894}
   (( segid " 1SG" and resid 52   and name HD2 ))
   (  segid " 1SG" and resid 47   and name HG1%)
 ASSI {  896}
   (  segid " 1SG" and resid 106  and name HG2%)
   (( segid " 1SG" and resid 106  and name HB  ))
      2.300     0.700     0.700 peak   896 spectrum    1 weight  0.10000E+01 volume  0.39588E-02 ppm1      0.392 ppm2      1.861 CV     1
 ASSI {  897}
   (  segid " 1SG" and resid 4    and name HD1%)
   (( segid " 1SG" and resid 96   and name HB2 ))
      2.400     0.700     0.700 peak   897 spectrum    1 weight  0.10000E+01 volume  0.39543E-02 ppm1      0.965 ppm2      1.581 CV     1
 ASSI {  902}
   (( segid " 1SG" and resid 96   and name HB2 ))
   (( segid " 1SG" and resid 94   and name HD2 ))
      2.200     0.600     0.600 peak   902 spectrum    1 weight  0.10000E+01 volume  0.39335E-02 ppm1      1.580 ppm2      1.690 CV     1
 OR {  902}
   (( segid " 1SG" and resid 96   and name HB2 ))
   (( segid " 1SG" and resid 94   and name HD1 ))
 ASSI {  908}
   (  segid " 1SG" and resid 106  and name HG1%)
   (( segid " 1SG" and resid 106  and name HB  ))
      2.300     0.700     0.700 peak   908 spectrum    1 weight  0.10000E+01 volume  0.38792E-02 ppm1      0.695 ppm2      1.859 CV     1
 ASSI {  910}
   (( segid " 1SG" and resid 96   and name HB2 ))
   (( segid " 1SG" and resid 96   and name HG2 ))
      2.200     0.600     0.600 peak   910 spectrum    1 weight  0.10000E+01 volume  0.38478E-02 ppm1      1.587 ppm2      1.335 CV     1
 OR {  910}
   (( segid " 1SG" and resid 96   and name HB2 ))
   (( segid " 1SG" and resid 96   and name HG1 ))
 ASSI {  913}
   (  segid " 1SG" and resid 59   and name HD1%)
   (( segid " 1SG" and resid 59   and name HG  ))
      2.200     0.600     0.600 peak   913 spectrum    1 weight  0.10000E+01 volume  0.38252E-02 ppm1      0.866 ppm2      1.440 CV     1
 ASSI {  931}
   (( segid " 1SG" and resid 65   and name HB1 ))
   (( segid " 1SG" and resid 65   and name HA  ))
      2.500     0.800     0.800 peak   931 spectrum    1 weight  0.10000E+01 volume  0.37429E-02 ppm1      1.768 ppm2      3.458 CV     1
 OR {  931}
   (( segid " 1SG" and resid 65   and name HB2 ))
   (( segid " 1SG" and resid 65   and name HA  ))
 ASSI {  932}
   (  segid " 1SG" and resid 71   and name HD1%)
   (( segid " 1SG" and resid 71   and name HA  ))
      2.400     0.700     0.700 peak   932 spectrum    1 weight  0.10000E+01 volume  0.37428E-02 ppm1      0.861 ppm2      5.068 CV     1
 ASSI {  934}
   (  segid " 1SG" and resid 39   and name HG1%)
   (( segid " 1SG" and resid 39   and name HB  ))
      2.400     0.700     0.700 peak   934 spectrum    1 weight  0.10000E+01 volume  0.37363E-02 ppm1     -0.065 ppm2      0.591 CV     1
 ASSI {  935}
   (( segid " 1SG" and resid 49   and name HG  ))
   (( segid " 1SG" and resid 49   and name HA  ))
      2.200     0.600     0.600 peak   935 spectrum    1 weight  0.10000E+01 volume  0.37329E-02 ppm1      0.803 ppm2      3.862 CV     1
 ASSI {  937}
   (( segid " 1SG" and resid 86   and name HA1 ))
   (( segid " 1SG" and resid 86   and name HA2 ))
      2.200     0.600     0.600 peak   937 spectrum    1 weight  0.10000E+01 volume  0.37002E-02 ppm1      3.487 ppm2      4.665 CV     1
 ASSI {  944}
   (( segid " 1SG" and resid 51   and name HA  ))
   (( segid " 1SG" and resid 51   and name HB2 ))
      2.500     0.800     0.800 peak   944 spectrum    1 weight  0.10000E+01 volume  0.36501E-02 ppm1      4.566 ppm2      4.025 CV     1
 ASSI {  949}
   (( segid " 1SG" and resid 16   and name HB  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      2.400     0.700     0.700 peak   949 spectrum    1 weight  0.10000E+01 volume  0.36210E-02 ppm1      1.824 ppm2      0.622 CV     1
 ASSI {  952}
   (( segid " 1SG" and resid 95   and name HA  ))
   (( segid " 1SG" and resid 95   and name HB2 ))
      2.500     0.800     0.800 peak   952 spectrum    1 weight  0.10000E+01 volume  0.36171E-02 ppm1      4.737 ppm2      2.633 CV     1
 ASSI {  953}
   (( segid " 1SG" and resid 77   and name HB  ))
   (( segid " 1SG" and resid 77   and name HA  ))
      2.200     0.600     0.600 peak   953 spectrum    1 weight  0.10000E+01 volume  0.36142E-02 ppm1      4.029 ppm2      4.666 CV     1
 ASSI {  955}
   (( segid " 1SG" and resid 53   and name HA  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      2.300     0.600     0.600 peak   955 spectrum    1 weight  0.10000E+01 volume  0.36087E-02 ppm1      4.054 ppm2      1.080 CV     1
 ASSI {  963}
   (  segid " 1SG" and resid 74   and name HD1%)
   (  segid " 1SG" and resid 49   and name HD2%)
      2.300     0.600     0.600 peak   963 spectrum    1 weight  0.10000E+01 volume  0.35622E-02 ppm1      0.410 ppm2      1.032 CV     1
 OR {  963}
   (  segid " 1SG" and resid 74   and name HD2%)
   (  segid " 1SG" and resid 49   and name HD2%)
 ASSI {  965}
   (( segid " 1SG" and resid 3    and name HD2 ))
   (( segid " 1SG" and resid 4    and name HB  ))
      2.900     2.900     3.100 peak   965 spectrum    1 weight  0.10000E+01 volume  0.35570E-02 ppm1      3.857 ppm2      2.022 CV     1
 OR {  965}
   (( segid " 1SG" and resid 3    and name HD1 ))
   (( segid " 1SG" and resid 4    and name HB  ))
 ASSI {  966}
   (( segid " 1SG" and resid 61   and name HA  ))
   (( segid " 1SG" and resid 72   and name HA  ))
      2.200     0.600     0.600 peak   966 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      5.559 ppm2      5.379 CV     1
 ASSI {  969}
   (  segid " 1SG" and resid 47   and name HG2%)
   (( segid " 1SG" and resid 47   and name HA  ))
      2.600     0.800     0.800 peak   969 spectrum    1 weight  0.10000E+01 volume  0.35368E-02 ppm1      0.793 ppm2      4.074 CV     1
 ASSI {  972}
   (  segid " 1SG" and resid 106  and name HG1%)
   (( segid " 1SG" and resid 106  and name HA  ))
      2.800     1.000     1.000 peak   972 spectrum    1 weight  0.10000E+01 volume  0.35131E-02 ppm1      0.694 ppm2      4.732 CV     1
 ASSI {  978}
   (  segid " 1SG" and resid 104  and name HD1%)
   (( segid " 1SG" and resid 104  and name HA  ))
      2.800     1.000     1.000 peak   978 spectrum    1 weight  0.10000E+01 volume  0.34954E-02 ppm1      0.981 ppm2      5.437 CV     1
 ASSI {  984}
   (  segid " 1SG" and resid 22   and name HD1%)
   (( segid " 1SG" and resid 104  and name HB2 ))
      2.700     0.900     0.900 peak   984 spectrum    1 weight  0.10000E+01 volume  0.34559E-02 ppm1      0.549 ppm2      1.243 CV     1
 OR {  984}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 104  and name HB2 ))
 ASSI {  986}
   (  segid " 1SG" and resid 74   and name HD1%)
   (( segid " 1SG" and resid 74   and name HG  ))
      2.400     0.700     0.700 peak   986 spectrum    1 weight  0.10000E+01 volume  0.34453E-02 ppm1      0.409 ppm2      1.098 CV     1
 OR {  986}
   (  segid " 1SG" and resid 74   and name HD2%)
   (( segid " 1SG" and resid 74   and name HG  ))
 ASSI {  990}
   (  segid " 1SG" and resid 18   and name HG2%)
   (( segid " 1SG" and resid 108  and name HA  ))
      2.300     0.700     0.700 peak   990 spectrum    1 weight  0.10000E+01 volume  0.34406E-02 ppm1      0.965 ppm2      4.151 CV     1
 ASSI {  991}
   (( segid " 1SG" and resid 55   and name HB2 ))
   (( segid " 1SG" and resid 55   and name HA  ))
      2.600     0.900     0.900 peak   991 spectrum    1 weight  0.10000E+01 volume  0.34372E-02 ppm1      1.787 ppm2      4.002 CV     1
 ASSI {  992}
   (( segid " 1SG" and resid 106  and name HA  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      2.500     0.800     0.800 peak   992 spectrum    1 weight  0.10000E+01 volume  0.34349E-02 ppm1      4.730 ppm2      0.388 CV     1
 ASSI {  993}
   (  segid " 1SG" and resid 4    and name HG2%)
   (( segid " 1SG" and resid 96   and name HB2 ))
      2.500     0.800     0.800 peak   993 spectrum    1 weight  0.10000E+01 volume  0.34261E-02 ppm1      0.918 ppm2      1.588 CV     1
 ASSI { 1004}
   (( segid " 1SG" and resid 33   and name HA  ))
   (( segid " 1SG" and resid 33   and name HB2 ))
      2.400     0.700     0.700 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.33664E-02 ppm1      4.459 ppm2      1.732 CV     1
 ASSI { 1006}
   (( segid " 1SG" and resid 57   and name HA  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      2.100     0.600     0.600 peak  1006 spectrum    1 weight  0.10000E+01 volume  0.33612E-02 ppm1      5.429 ppm2      1.472 CV     1
 ASSI { 1008}
   (( segid " 1SG" and resid 77   and name HA  ))
   (( segid " 1SG" and resid 21   and name HA  ))
      2.000     0.500     0.500 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.33568E-02 ppm1      4.665 ppm2      5.519 CV     1
 ASSI { 1009}
   (( segid " 1SG" and resid 84   and name HA  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      2.500     0.800     0.800 peak  1009 spectrum    1 weight  0.10000E+01 volume  0.33529E-02 ppm1      4.230 ppm2      1.496 CV     1
 ASSI { 1011}
   (  segid " 1SG" and resid 59   and name HD1%)
   (  segid " 1SG" and resid 53   and name HG2%)
      2.400     0.700     0.700 peak  1011 spectrum    1 weight  0.10000E+01 volume  0.33467E-02 ppm1      0.870 ppm2      1.085 CV     1
 ASSI { 1019}
   (( segid " 1SG" and resid 35   and name HA  ))
   (( segid " 1SG" and resid 36   and name HD2 ))
      2.700     0.900     0.900 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.33139E-02 ppm1      4.673 ppm2      3.509 CV     1
 ASSI { 1021}
   (  segid " 1SG" and resid 22   and name HD1%)
   (( segid " 1SG" and resid 22   and name HG12))
      2.400     0.700     0.700 peak  1021 spectrum    1 weight  0.10000E+01 volume  0.33074E-02 ppm1      0.548 ppm2      0.108 CV     1
 OR { 1021}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 22   and name HG12))
 ASSI { 1037}
   (  segid " 1SG" and resid 91   and name HG2%)
   (( segid " 1SG" and resid 91   and name HA  ))
      2.600     0.800     0.800 peak  1037 spectrum    1 weight  0.10000E+01 volume  0.32470E-02 ppm1      0.180 ppm2      4.756 CV     1
 OR { 1037}
   (  segid " 1SG" and resid 91   and name HG1%)
   (( segid " 1SG" and resid 91   and name HA  ))
 ASSI { 1038}
   (( segid " 1SG" and resid 53   and name HB  ))
   (( segid " 1SG" and resid 52   and name HB2 ))
      3.000     3.000     3.000 peak  1038 spectrum    1 weight  0.10000E+01 volume  0.32468E-02 ppm1      2.169 ppm2      1.731 CV     1
 ASSI { 1047}
   (( segid " 1SG" and resid 16   and name HB  ))
   (( segid " 1SG" and resid 16   and name HA  ))
      2.500     0.800     0.800 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.32072E-02 ppm1      1.820 ppm2      4.604 CV     1
 ASSI { 1051}
   (( segid " 1SG" and resid 43   and name HD2 ))
   (  segid " 1SG" and resid 59   and name HD1%)
      3.300     3.300     2.700 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.31953E-02 ppm1      1.331 ppm2      0.856 CV     1
 OR { 1051}
   (( segid " 1SG" and resid 43   and name HD1 ))
   (  segid " 1SG" and resid 59   and name HD1%)
 ASSI { 1055}
   (( segid " 1SG" and resid 71   and name HB2 ))
   (( segid " 1SG" and resid 69   and name HB  ))
      2.400     2.400     3.600 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.31826E-02 ppm1      1.264 ppm2      1.770 CV     1
 ASSI { 1057}
   (  segid " 1SG" and resid 79   and name HB% )
   (  segid " 1SG" and resid 106  and name HG2%)
      2.500     0.800     0.800 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.31787E-02 ppm1      1.196 ppm2      0.392 CV     1
 ASSI { 1058}
   (( segid " 1SG" and resid 94   and name HB2 ))
   (( segid " 1SG" and resid 94   and name HG1 ))
      2.500     0.800     0.800 peak  1058 spectrum    1 weight  0.10000E+01 volume  0.31717E-02 ppm1      1.791 ppm2      1.414 CV     1
 OR { 1058}
   (( segid " 1SG" and resid 94   and name HB2 ))
   (( segid " 1SG" and resid 94   and name HG2 ))
 ASSI { 1068}
   (( segid " 1SG" and resid 35   and name HB1 ))
   (( segid " 1SG" and resid 35   and name HG2 ))
      2.500     0.800     0.800 peak  1068 spectrum    1 weight  0.10000E+01 volume  0.31242E-02 ppm1      1.791 ppm2      1.358 CV     1
 OR { 1068}
   (( segid " 1SG" and resid 35   and name HB2 ))
   (( segid " 1SG" and resid 35   and name HG2 ))
 OR { 1068}
   (( segid " 1SG" and resid 35   and name HB1 ))
   (( segid " 1SG" and resid 35   and name HG1 ))
 OR { 1068}
   (( segid " 1SG" and resid 35   and name HB2 ))
   (( segid " 1SG" and resid 35   and name HG1 ))
 ASSI { 1077}
   (  segid " 1SG" and resid 69   and name HG1%)
   (( segid " 1SG" and resid 29   and name HA  ))
      2.500     0.800     0.800 peak  1077 spectrum    1 weight  0.10000E+01 volume  0.30853E-02 ppm1      0.863 ppm2      4.391 CV     1
 OR { 1077}
   (  segid " 1SG" and resid 69   and name HG2%)
   (( segid " 1SG" and resid 29   and name HA  ))
 ASSI { 1078}
   (( segid " 1SG" and resid 76   and name HB  ))
   (  segid " 1SG" and resid 76   and name HG2%)
      2.400     0.700     0.700 peak  1078 spectrum    1 weight  0.10000E+01 volume  0.30653E-02 ppm1      1.936 ppm2      0.826 CV     1
 ASSI { 1080}
   (( segid " 1SG" and resid 58   and name HB1 ))
   (( segid " 1SG" and resid 58   and name HG2 ))
      2.500     0.800     0.800 peak  1080 spectrum    1 weight  0.10000E+01 volume  0.30588E-02 ppm1      2.406 ppm2      1.814 CV     1
 OR { 1080}
   (( segid " 1SG" and resid 58   and name HB2 ))
   (( segid " 1SG" and resid 58   and name HG2 ))
 ASSI { 1081}
   (( segid " 1SG" and resid 76   and name HB  ))
   (  segid " 1SG" and resid 22   and name HG2%)
      2.400     0.700     0.700 peak  1081 spectrum    1 weight  0.10000E+01 volume  0.30570E-02 ppm1      1.938 ppm2      0.610 CV     1
 ASSI { 1082}
   (( segid " 1SG" and resid 57   and name HG  ))
   (  segid " 1SG" and resid 74   and name HD1%)
      2.900     1.100     1.100 peak  1082 spectrum    1 weight  0.10000E+01 volume  0.30529E-02 ppm1      0.751 ppm2      0.415 CV     1
 OR { 1082}
   (( segid " 1SG" and resid 57   and name HG  ))
   (  segid " 1SG" and resid 74   and name HD2%)
 ASSI { 1083}
   (( segid " 1SG" and resid 22   and name HG12))
   (( segid " 1SG" and resid 104  and name HB2 ))
      2.200     0.600     0.600 peak  1083 spectrum    1 weight  0.10000E+01 volume  0.30521E-02 ppm1      0.106 ppm2      1.251 CV     1
 ASSI { 1088}
   (  segid " 1SG" and resid 39   and name HG2%)
   (( segid " 1SG" and resid 39   and name HA  ))
      2.500     0.800     0.800 peak  1088 spectrum    1 weight  0.10000E+01 volume  0.30482E-02 ppm1     -0.447 ppm2      4.803 CV     1
 ASSI { 1092}
   (( segid " 1SG" and resid 18   and name HA  ))
   (  segid " 1SG" and resid 18   and name HG1%)
      2.500     0.800     0.800 peak  1092 spectrum    1 weight  0.10000E+01 volume  0.30236E-02 ppm1      3.510 ppm2      0.968 CV     1
 OR { 1092}
   (( segid " 1SG" and resid 18   and name HA  ))
   (  segid " 1SG" and resid 18   and name HG2%)
 ASSI { 1095}
   (( segid " 1SG" and resid 9    and name HG2 ))
   (( segid " 1SG" and resid 9    and name HB2 ))
      2.600     0.900     0.900 peak  1095 spectrum    1 weight  0.10000E+01 volume  0.30146E-02 ppm1      2.524 ppm2      1.911 CV     1
 ASSI { 1097}
   (( segid " 1SG" and resid 18   and name HA  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      2.400     0.700     0.700 peak  1097 spectrum    1 weight  0.10000E+01 volume  0.30052E-02 ppm1      3.516 ppm2      0.390 CV     1
 ASSI { 1101}
   (  segid " 1SG" and resid 28   and name HG1%)
   (  segid " 1SG" and resid 91   and name HG2%)
      2.600     0.800     0.800 peak  1101 spectrum    1 weight  0.10000E+01 volume  0.29790E-02 ppm1      0.830 ppm2      0.179 CV     1
 OR { 1101}
   (  segid " 1SG" and resid 28   and name HG1%)
   (  segid " 1SG" and resid 91   and name HG1%)
 ASSI { 1102}
   (( segid " 1SG" and resid 27   and name HD1 ))
   (( segid " 1SG" and resid 27   and name HG2 ))
      2.500     0.800     0.800 peak  1102 spectrum    1 weight  0.10000E+01 volume  0.29749E-02 ppm1      3.131 ppm2      1.704 CV     1
 OR { 1102}
   (( segid " 1SG" and resid 27   and name HD2 ))
   (( segid " 1SG" and resid 27   and name HG1 ))
 OR { 1102}
   (( segid " 1SG" and resid 27   and name HD2 ))
   (( segid " 1SG" and resid 27   and name HG2 ))
 OR { 1102}
   (( segid " 1SG" and resid 27   and name HD1 ))
   (( segid " 1SG" and resid 27   and name HG1 ))
 ASSI { 1105}
   (  segid " 1SG" and resid 28   and name HG2%)
   (( segid " 1SG" and resid 28   and name HA  ))
      2.600     0.800     0.800 peak  1105 spectrum    1 weight  0.10000E+01 volume  0.29526E-02 ppm1      0.652 ppm2      4.910 CV     1
 ASSI { 1109}
   (( segid " 1SG" and resid 3    and name HB1 ))
   (( segid " 1SG" and resid 3    and name HA  ))
      2.500     0.800     0.800 peak  1109 spectrum    1 weight  0.10000E+01 volume  0.29439E-02 ppm1      2.293 ppm2      4.452 CV     1
 OR { 1109}
   (( segid " 1SG" and resid 3    and name HB2 ))
   (( segid " 1SG" and resid 3    and name HA  ))
 ASSI { 1115}
   (( segid " 1SG" and resid 52   and name HD2 ))
   (( segid " 1SG" and resid 52   and name HA  ))
      2.500     0.800     0.800 peak  1115 spectrum    1 weight  0.10000E+01 volume  0.29373E-02 ppm1      1.579 ppm2      4.625 CV     1
 OR { 1115}
   (( segid " 1SG" and resid 52   and name HD1 ))
   (( segid " 1SG" and resid 52   and name HA  ))
 ASSI { 1118}
   (( segid " 1SG" and resid 43   and name HD1 ))
   (  segid " 1SG" and resid 47   and name HG1%)
      2.600     0.800     0.800 peak  1118 spectrum    1 weight  0.10000E+01 volume  0.29185E-02 ppm1      1.324 ppm2      0.983 CV     1
 OR { 1118}
   (( segid " 1SG" and resid 43   and name HD2 ))
   (  segid " 1SG" and resid 47   and name HG1%)
 ASSI { 1127}
   (( segid " 1SG" and resid 107  and name HA  ))
   (( segid " 1SG" and resid 107  and name HB2 ))
      2.600     0.800     0.800 peak  1127 spectrum    1 weight  0.10000E+01 volume  0.28863E-02 ppm1      4.805 ppm2      3.085 CV     1
 OR { 1127}
   (( segid " 1SG" and resid 107  and name HA  ))
   (( segid " 1SG" and resid 107  and name HB1 ))
 ASSI { 1129}
   (( segid " 1SG" and resid 96   and name HA  ))
   (( segid " 1SG" and resid 96   and name HG1 ))
      2.400     0.700     0.700 peak  1129 spectrum    1 weight  0.10000E+01 volume  0.28794E-02 ppm1      4.790 ppm2      1.336 CV     1
 OR { 1129}
   (( segid " 1SG" and resid 96   and name HA  ))
   (( segid " 1SG" and resid 96   and name HG2 ))
 ASSI { 1135}
   (  segid " 1SG" and resid 59   and name HD2%)
   (( segid " 1SG" and resid 74   and name HA  ))
      3.000     1.100     1.100 peak  1135 spectrum    1 weight  0.10000E+01 volume  0.28656E-02 ppm1      0.717 ppm2      4.346 CV     1
 ASSI { 1151}
   (( segid " 1SG" and resid 18   and name HA  ))
   (  segid " 1SG" and resid 18   and name HG1%)
      2.500     0.800     0.800 peak  1151 spectrum    1 weight  0.10000E+01 volume  0.28226E-02 ppm1      3.513 ppm2      1.007 CV     1
 ASSI { 1152}
   (  segid " 1SG" and resid 69   and name HG1%)
   (( segid " 1SG" and resid 27   and name HD2 ))
      2.600     0.900     0.900 peak  1152 spectrum    1 weight  0.10000E+01 volume  0.28225E-02 ppm1      0.852 ppm2      3.126 CV     1
 OR { 1152}
   (  segid " 1SG" and resid 69   and name HG1%)
   (( segid " 1SG" and resid 27   and name HD1 ))
 ASSI { 1153}
   (( segid " 1SG" and resid 17   and name HA  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      2.600     0.800     0.800 peak  1153 spectrum    1 weight  0.10000E+01 volume  0.28220E-02 ppm1      4.789 ppm2      1.298 CV     1
 ASSI { 1154}
   (( segid " 1SG" and resid 15   and name HA  ))
   (( segid " 1SG" and resid 15   and name HB2 ))
      2.600     0.800     0.800 peak  1154 spectrum    1 weight  0.10000E+01 volume  0.28214E-02 ppm1      5.494 ppm2      2.015 CV     1
 OR { 1154}
   (( segid " 1SG" and resid 15   and name HA  ))
   (( segid " 1SG" and resid 15   and name HB1 ))
 ASSI { 1155}
   (( segid " 1SG" and resid 71   and name HB2 ))
   (  segid " 1SG" and resid 8    and name HG1%)
      2.200     2.200     3.800 peak  1155 spectrum    1 weight  0.10000E+01 volume  0.28183E-02 ppm1      1.326 ppm2      0.961 CV     1
 OR { 1155}
   (( segid " 1SG" and resid 71   and name HB2 ))
   (  segid " 1SG" and resid 8    and name HG2%)
 ASSI { 1156}
   (  segid " 1SG" and resid 59   and name HD2%)
   (( segid " 1SG" and resid 59   and name HB1 ))
      2.600     0.800     0.800 peak  1156 spectrum    1 weight  0.10000E+01 volume  0.28155E-02 ppm1      0.714 ppm2      1.697 CV     1
 OR { 1156}
   (  segid " 1SG" and resid 59   and name HD2%)
   (( segid " 1SG" and resid 59   and name HB2 ))
 ASSI { 1161}
   (( segid " 1SG" and resid 59   and name HB1 ))
   (  segid " 1SG" and resid 59   and name HD1%)
      2.400     0.700     0.700 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.27905E-02 ppm1      1.712 ppm2      0.868 CV     1
 OR { 1161}
   (( segid " 1SG" and resid 59   and name HB2 ))
   (  segid " 1SG" and resid 59   and name HD1%)
 ASSI { 1173}
   (( segid " 1SG" and resid 52   and name HE2 ))
   (  segid " 1SG" and resid 47   and name HG2%)
      2.200     0.600     0.600 peak  1173 spectrum    1 weight  0.10000E+01 volume  0.27461E-02 ppm1      2.788 ppm2      0.794 CV     1
 ASSI { 1176}
   (  segid " 1SG" and resid 4    and name HG2%)
   (  segid " 1SG" and resid 6    and name HD2%)
      2.900     1.100     1.100 peak  1176 spectrum    1 weight  0.10000E+01 volume  0.27334E-02 ppm1      0.914 ppm2      0.491 CV     1
 ASSI { 1183}
   (( segid " 1SG" and resid 45   and name HA  ))
   (( segid " 1SG" and resid 45   and name HG2 ))
      2.600     0.800     0.800 peak  1183 spectrum    1 weight  0.10000E+01 volume  0.27144E-02 ppm1      3.497 ppm2      0.609 CV     1
 OR { 1183}
   (( segid " 1SG" and resid 45   and name HA  ))
   (( segid " 1SG" and resid 45   and name HB2 ))
 ASSI { 1189}
   (( segid " 1SG" and resid 94   and name HA  ))
   (( segid " 1SG" and resid 94   and name HB2 ))
      2.700     0.900     0.900 peak  1189 spectrum    1 weight  0.10000E+01 volume  0.27043E-02 ppm1      4.042 ppm2      1.799 CV     1
 ASSI { 1190}
   (( segid " 1SG" and resid 2    and name HB2 ))
   (( segid " 1SG" and resid 1    and name HA  ))
      3.200     1.300     1.300 peak  1190 spectrum    1 weight  0.10000E+01 volume  0.27031E-02 ppm1      2.684 ppm2      4.619 CV     1
 ASSI { 1191}
   (  segid " 1SG" and resid 76   and name HD1%)
   (( segid " 1SG" and resid 59   and name HG  ))
      2.200     2.200     3.800 peak  1191 spectrum    1 weight  0.10000E+01 volume  0.27001E-02 ppm1      0.677 ppm2      1.411 CV     1
 ASSI { 1193}
   (( segid " 1SG" and resid 43   and name HE2 ))
   (( segid " 1SG" and resid 43   and name HD2 ))
      2.500     0.800     0.800 peak  1193 spectrum    1 weight  0.10000E+01 volume  0.26959E-02 ppm1      2.518 ppm2      1.326 CV     1
 OR { 1193}
   (( segid " 1SG" and resid 43   and name HE2 ))
   (( segid " 1SG" and resid 43   and name HD1 ))
 ASSI { 1202}
   (( segid " 1SG" and resid 2    and name HB2 ))
   (( segid " 1SG" and resid 96   and name HE1 ))
      3.000     3.000     3.000 peak  1202 spectrum    1 weight  0.10000E+01 volume  0.26365E-02 ppm1      2.692 ppm2      2.944 CV     1
 OR { 1202}
   (( segid " 1SG" and resid 2    and name HB2 ))
   (( segid " 1SG" and resid 96   and name HE2 ))
 ASSI { 1205}
   (  segid " 1SG" and resid 28   and name HG2%)
   (( segid " 1SG" and resid 28   and name HB  ))
      2.600     0.800     0.800 peak  1205 spectrum    1 weight  0.10000E+01 volume  0.26303E-02 ppm1      0.652 ppm2      1.978 CV     1
 ASSI { 1215}
   (( segid " 1SG" and resid 25   and name HB2 ))
   (  segid " 1SG" and resid 71   and name HD1%)
      2.700     0.900     0.900 peak  1215 spectrum    1 weight  0.10000E+01 volume  0.25900E-02 ppm1      3.603 ppm2      0.862 CV     1
 ASSI { 1219}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 22   and name HB  ))
      2.500     0.800     0.800 peak  1219 spectrum    1 weight  0.10000E+01 volume  0.25799E-02 ppm1      0.612 ppm2      1.535 CV     1
 ASSI { 1220}
   (  segid " 1SG" and resid 28   and name HG1%)
   (( segid " 1SG" and resid 28   and name HB  ))
      2.600     0.800     0.800 peak  1220 spectrum    1 weight  0.10000E+01 volume  0.25715E-02 ppm1      0.816 ppm2      1.976 CV     1
 ASSI { 1223}
   (( segid " 1SG" and resid 53   and name HB  ))
   (( segid " 1SG" and resid 53   and name HA  ))
      2.600     0.800     0.800 peak  1223 spectrum    1 weight  0.10000E+01 volume  0.25607E-02 ppm1      2.132 ppm2      4.051 CV     1
 ASSI { 1236}
   (( segid " 1SG" and resid 59   and name HA  ))
   (( segid " 1SG" and resid 59   and name HB2 ))
      2.400     0.700     0.700 peak  1236 spectrum    1 weight  0.10000E+01 volume  0.25278E-02 ppm1      5.198 ppm2      1.702 CV     1
 OR { 1236}
   (( segid " 1SG" and resid 59   and name HA  ))
   (( segid " 1SG" and resid 59   and name HB1 ))
 ASSI { 1239}
   (( segid " 1SG" and resid 64   and name HA  ))
   (( segid " 1SG" and resid 64   and name HB2 ))
      2.600     0.900     0.900 peak  1239 spectrum    1 weight  0.10000E+01 volume  0.25232E-02 ppm1      4.580 ppm2      2.354 CV     1
 ASSI { 1242}
   (( segid " 1SG" and resid 43   and name HD2 ))
   (( segid " 1SG" and resid 57   and name HG  ))
      2.400     0.700     0.700 peak  1242 spectrum    1 weight  0.10000E+01 volume  0.25170E-02 ppm1      1.333 ppm2      0.743 CV     1
 OR { 1242}
   (( segid " 1SG" and resid 43   and name HD1 ))
   (( segid " 1SG" and resid 57   and name HG  ))
 ASSI { 1243}
   (( segid " 1SG" and resid 22   and name HG12))
   (  segid " 1SG" and resid 22   and name HD1%)
      2.500     0.800     0.800 peak  1243 spectrum    1 weight  0.10000E+01 volume  0.25130E-02 ppm1      0.102 ppm2      0.551 CV     1
 ASSI { 1244}
   (( segid " 1SG" and resid 52   and name HE2 ))
   (( segid " 1SG" and resid 52   and name HD1 ))
      2.500     0.800     0.800 peak  1244 spectrum    1 weight  0.10000E+01 volume  0.25102E-02 ppm1      2.788 ppm2      1.574 CV     1
 OR { 1244}
   (( segid " 1SG" and resid 52   and name HE2 ))
   (( segid " 1SG" and resid 52   and name HD2 ))
 ASSI { 1246}
   (  segid " 1SG" and resid 104  and name HD1%)
   (( segid " 1SG" and resid 104  and name HB2 ))
      2.300     0.700     0.700 peak  1246 spectrum    1 weight  0.10000E+01 volume  0.25062E-02 ppm1      0.976 ppm2      1.219 CV     1
 ASSI { 1251}
   (( segid " 1SG" and resid 80   and name HA  ))
   (( segid " 1SG" and resid 81   and name HD2 ))
      2.600     0.900     0.900 peak  1251 spectrum    1 weight  0.10000E+01 volume  0.24917E-02 ppm1      4.639 ppm2      3.592 CV     1
 ASSI { 1254}
   (( segid " 1SG" and resid 57   and name HA  ))
   (( segid " 1SG" and resid 76   and name HA  ))
      2.300     0.700     0.700 peak  1254 spectrum    1 weight  0.10000E+01 volume  0.24853E-02 ppm1      5.425 ppm2      5.012 CV     1
 ASSI { 1255}
   (( segid " 1SG" and resid 45   and name HB2 ))
   (  segid " 1SG" and resid 104  and name HD2%)
      2.900     2.900     3.100 peak  1255 spectrum    1 weight  0.10000E+01 volume  0.24846E-02 ppm1      0.615 ppm2      0.827 CV     1
 ASSI { 1259}
   (( segid " 1SG" and resid 22   and name HA  ))
   (( segid " 1SG" and resid 22   and name HB  ))
      2.400     0.700     0.700 peak  1259 spectrum    1 weight  0.10000E+01 volume  0.24774E-02 ppm1      4.352 ppm2      1.534 CV     1
 ASSI { 1267}
   (( segid " 1SG" and resid 59   and name HG  ))
   (( segid " 1SG" and resid 57   and name HG  ))
      3.400     3.400     2.600 peak  1267 spectrum    1 weight  0.10000E+01 volume  0.24527E-02 ppm1      1.460 ppm2      0.749 CV     1
 ASSI { 1272}
   (( segid " 1SG" and resid 58   and name HA  ))
   (( segid " 1SG" and resid 58   and name HB1 ))
      2.500     0.800     0.800 peak  1272 spectrum    1 weight  0.10000E+01 volume  0.24390E-02 ppm1      4.626 ppm2      2.405 CV     1
 OR { 1272}
   (( segid " 1SG" and resid 58   and name HA  ))
   (( segid " 1SG" and resid 58   and name HB2 ))
 ASSI { 1274}
   (( segid " 1SG" and resid 65   and name HA  ))
   (( segid " 1SG" and resid 65   and name HG1 ))
      2.900     1.100     1.100 peak  1274 spectrum    1 weight  0.10000E+01 volume  0.24289E-02 ppm1      3.458 ppm2      1.692 CV     1
 OR { 1274}
   (( segid " 1SG" and resid 65   and name HA  ))
   (( segid " 1SG" and resid 65   and name HG2 ))
 ASSI { 1281}
   (( segid " 1SG" and resid 49   and name HG  ))
   (( segid " 1SG" and resid 43   and name HD2 ))
      2.500     0.800     0.800 peak  1281 spectrum    1 weight  0.10000E+01 volume  0.24159E-02 ppm1      0.802 ppm2      1.337 CV     1
 OR { 1281}
   (( segid " 1SG" and resid 49   and name HG  ))
   (( segid " 1SG" and resid 43   and name HD1 ))
 ASSI { 1282}
   (( segid " 1SG" and resid 78   and name HA  ))
   (( segid " 1SG" and resid 78   and name HB2 ))
      2.600     0.800     0.800 peak  1282 spectrum    1 weight  0.10000E+01 volume  0.24136E-02 ppm1      4.117 ppm2      2.383 CV     1
 ASSI { 1285}
   (  segid " 1SG" and resid 8    and name HG2%)
   (( segid " 1SG" and resid 29   and name HA  ))
      2.700     0.900     0.900 peak  1285 spectrum    1 weight  0.10000E+01 volume  0.24086E-02 ppm1      0.964 ppm2      4.391 CV     1
 OR { 1285}
   (  segid " 1SG" and resid 8    and name HG1%)
   (( segid " 1SG" and resid 29   and name HA  ))
 ASSI { 1286}
   (  segid " 1SG" and resid 8    and name HG2%)
   (  segid " 1SG" and resid 6    and name HD2%)
      3.000     3.000     3.000 peak  1286 spectrum    1 weight  0.10000E+01 volume  0.24079E-02 ppm1      0.928 ppm2      0.476 CV     1
 ASSI { 1288}
   (( segid " 1SG" and resid 96   and name HA  ))
   (( segid " 1SG" and resid 94   and name HE1 ))
      2.800     1.000     1.000 peak  1288 spectrum    1 weight  0.10000E+01 volume  0.23923E-02 ppm1      4.809 ppm2      3.001 CV     1
 OR { 1288}
   (( segid " 1SG" and resid 96   and name HA  ))
   (( segid " 1SG" and resid 94   and name HE2 ))
 ASSI { 1297}
   (( segid " 1SG" and resid 52   and name HE2 ))
   (( segid " 1SG" and resid 52   and name HG2 ))
      2.900     1.100     1.100 peak  1297 spectrum    1 weight  0.10000E+01 volume  0.23769E-02 ppm1      2.788 ppm2      1.344 CV     1
 OR { 1297}
   (( segid " 1SG" and resid 52   and name HE2 ))
   (( segid " 1SG" and resid 52   and name HG1 ))
 ASSI { 1298}
   (( segid " 1SG" and resid 49   and name HG  ))
   (( segid " 1SG" and resid 43   and name HB2 ))
      2.200     0.600     0.600 peak  1298 spectrum    1 weight  0.10000E+01 volume  0.23746E-02 ppm1      0.801 ppm2      1.228 CV     1
 ASSI { 1302}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 22   and name HG12))
      2.500     0.800     0.800 peak  1302 spectrum    1 weight  0.10000E+01 volume  0.23663E-02 ppm1      0.611 ppm2      0.097 CV     1
 ASSI { 1303}
   (( segid " 1SG" and resid 94   and name HG2 ))
   (( segid " 1SG" and resid 94   and name HA  ))
      3.000     1.200     1.200 peak  1303 spectrum    1 weight  0.10000E+01 volume  0.23660E-02 ppm1      1.416 ppm2      4.044 CV     1
 OR { 1303}
   (( segid " 1SG" and resid 94   and name HG1 ))
   (( segid " 1SG" and resid 94   and name HA  ))
 ASSI { 1309}
   (( segid " 1SG" and resid 96   and name HA  ))
   (( segid " 1SG" and resid 96   and name HB2 ))
      2.600     0.800     0.800 peak  1309 spectrum    1 weight  0.10000E+01 volume  0.23590E-02 ppm1      4.786 ppm2      1.579 CV     1
 ASSI { 1319}
   (  segid " 1SG" and resid 76   and name HG2%)
   (( segid " 1SG" and resid 76   and name HA  ))
      2.500     0.800     0.800 peak  1319 spectrum    1 weight  0.10000E+01 volume  0.23375E-02 ppm1      0.823 ppm2      5.012 CV     1
 ASSI { 1323}
   (( segid " 1SG" and resid 9    and name HG2 ))
   (( segid " 1SG" and resid 9    and name HA  ))
      2.700     0.900     0.900 peak  1323 spectrum    1 weight  0.10000E+01 volume  0.23295E-02 ppm1      2.535 ppm2      4.651 CV     1
 ASSI { 1324}
   (  segid " 1SG" and resid 6    and name HD2%)
   (  segid " 1SG" and resid 93   and name HG2%)
      2.900     1.100     1.100 peak  1324 spectrum    1 weight  0.10000E+01 volume  0.23272E-02 ppm1      0.426 ppm2      1.033 CV     1
 ASSI { 1333}
   (( segid " 1SG" and resid 3    and name HA  ))
   (( segid " 1SG" and resid 4    and name HB  ))
      3.400     1.400     1.400 peak  1333 spectrum    1 weight  0.10000E+01 volume  0.23016E-02 ppm1      4.450 ppm2      2.008 CV     1
 ASSI { 1335}
   (( segid " 1SG" and resid 27   and name HA  ))
   (( segid " 1SG" and resid 27   and name HB1 ))
      2.500     0.800     0.800 peak  1335 spectrum    1 weight  0.10000E+01 volume  0.22921E-02 ppm1      5.836 ppm2      1.599 CV     1
 OR { 1335}
   (( segid " 1SG" and resid 27   and name HA  ))
   (( segid " 1SG" and resid 27   and name HB2 ))
 ASSI { 1338}
   (( segid " 1SG" and resid 19   and name HA1 ))
   (( segid " 1SG" and resid 78   and name HA  ))
      2.700     0.900     0.900 peak  1338 spectrum    1 weight  0.10000E+01 volume  0.22858E-02 ppm1      4.274 ppm2      4.121 CV     1
 OR { 1338}
   (( segid " 1SG" and resid 19   and name HA2 ))
   (( segid " 1SG" and resid 78   and name HA  ))
 ASSI { 1343}
   (( segid " 1SG" and resid 35   and name HB1 ))
   (( segid " 1SG" and resid 35   and name HA  ))
      2.600     0.800     0.800 peak  1343 spectrum    1 weight  0.10000E+01 volume  0.22791E-02 ppm1      1.791 ppm2      4.667 CV     1
 OR { 1343}
   (( segid " 1SG" and resid 35   and name HB2 ))
   (( segid " 1SG" and resid 35   and name HA  ))
 ASSI { 1346}
   (  segid " 1SG" and resid 69   and name HG2%)
   (( segid " 1SG" and resid 67   and name HB2 ))
      2.800     0.900     0.900 peak  1346 spectrum    1 weight  0.10000E+01 volume  0.22730E-02 ppm1      0.868 ppm2      3.737 CV     1
 OR { 1346}
   (  segid " 1SG" and resid 69   and name HG2%)
   (( segid " 1SG" and resid 67   and name HB1 ))
 ASSI { 1351}
   (( segid " 1SG" and resid 59   and name HB2 ))
   (( segid " 1SG" and resid 59   and name HG  ))
      2.400     0.700     0.700 peak  1351 spectrum    1 weight  0.10000E+01 volume  0.22610E-02 ppm1      1.699 ppm2      1.439 CV     1
 OR { 1351}
   (( segid " 1SG" and resid 59   and name HB1 ))
   (( segid " 1SG" and resid 59   and name HG  ))
 ASSI { 1353}
   (  segid " 1SG" and resid 104  and name HD2%)
   (( segid " 1SG" and resid 104  and name HB2 ))
      3.100     1.200     1.200 peak  1353 spectrum    1 weight  0.10000E+01 volume  0.22598E-02 ppm1      0.836 ppm2      1.210 CV     1
 ASSI { 1356}
   (  segid " 1SG" and resid 91   and name HG2%)
   (  segid " 1SG" and resid 39   and name HG1%)
      3.200     1.300     1.300 peak  1356 spectrum    1 weight  0.10000E+01 volume  0.22446E-02 ppm1      0.170 ppm2     -0.067 CV     1
 OR { 1356}
   (  segid " 1SG" and resid 91   and name HG1%)
   (  segid " 1SG" and resid 39   and name HG1%)
 ASSI { 1365}
   (( segid " 1SG" and resid 34   and name HG  ))
   (( segid " 1SG" and resid 35   and name HG1 ))
      2.800     1.000     1.000 peak  1365 spectrum    1 weight  0.10000E+01 volume  0.22300E-02 ppm1      0.938 ppm2      1.372 CV     1
 OR { 1365}
   (( segid " 1SG" and resid 34   and name HG  ))
   (( segid " 1SG" and resid 35   and name HG2 ))
 ASSI { 1367}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 22   and name HB  ))
      2.600     0.800     0.800 peak  1367 spectrum    1 weight  0.10000E+01 volume  0.22254E-02 ppm1      0.558 ppm2      1.537 CV     1
 OR { 1367}
   (  segid " 1SG" and resid 22   and name HD1%)
   (( segid " 1SG" and resid 22   and name HB  ))
 ASSI { 1368}
   (  segid " 1SG" and resid 106  and name HG2%)
   (( segid " 1SG" and resid 81   and name HA  ))
      2.500     0.800     0.800 peak  1368 spectrum    1 weight  0.10000E+01 volume  0.22247E-02 ppm1      0.389 ppm2      4.015 CV     1
 ASSI { 1375}
   (  segid " 1SG" and resid 4    and name HG2%)
   (  segid " 1SG" and resid 6    and name HD1%)
      2.600     0.800     0.800 peak  1375 spectrum    1 weight  0.10000E+01 volume  0.22012E-02 ppm1      0.911 ppm2      0.677 CV     1
 ASSI { 1378}
   (( segid " 1SG" and resid 68   and name HG1 ))
   (( segid " 1SG" and resid 68   and name HA  ))
      2.700     0.900     0.900 peak  1378 spectrum    1 weight  0.10000E+01 volume  0.21994E-02 ppm1      1.279 ppm2      3.604 CV     1
 OR { 1378}
   (( segid " 1SG" and resid 68   and name HG2 ))
   (( segid " 1SG" and resid 68   and name HA  ))
 ASSI { 1382}
   (  segid " 1SG" and resid 49   and name HD2%)
   (  segid " 1SG" and resid 49   and name HD1%)
      2.400     0.700     0.700 peak  1382 spectrum    1 weight  0.10000E+01 volume  0.21928E-02 ppm1      1.033 ppm2      1.768 CV     1
 ASSI { 1390}
   (( segid " 1SG" and resid 45   and name HE2 ))
   (( segid " 1SG" and resid 45   and name HD2 ))
      2.700     0.900     0.900 peak  1390 spectrum    1 weight  0.10000E+01 volume  0.21759E-02 ppm1      2.582 ppm2      1.239 CV     1
 OR { 1390}
   (( segid " 1SG" and resid 45   and name HE2 ))
   (( segid " 1SG" and resid 45   and name HD1 ))
 ASSI { 1393}
   (  segid " 1SG" and resid 6    and name HD1%)
   (  segid " 1SG" and resid 91   and name HG2%)
      2.900     1.000     1.000 peak  1393 spectrum    1 weight  0.10000E+01 volume  0.21669E-02 ppm1      0.673 ppm2      0.183 CV     1
 OR { 1393}
   (  segid " 1SG" and resid 6    and name HD1%)
   (  segid " 1SG" and resid 91   and name HG1%)
 ASSI { 1397}
   (( segid " 1SG" and resid 22   and name HB  ))
   (  segid " 1SG" and resid 22   and name HD1%)
      2.700     0.900     0.900 peak  1397 spectrum    1 weight  0.10000E+01 volume  0.21584E-02 ppm1      1.541 ppm2      0.551 CV     1
 ASSI { 1399}
   (( segid " 1SG" and resid 31   and name HA  ))
   (( segid " 1SG" and resid 68   and name HD1 ))
      2.700     0.900     0.900 peak  1399 spectrum    1 weight  0.10000E+01 volume  0.21542E-02 ppm1      4.175 ppm2      1.683 CV     1
 OR { 1399}
   (( segid " 1SG" and resid 31   and name HA  ))
   (( segid " 1SG" and resid 68   and name HD2 ))
 ASSI { 1400}
   (( segid " 1SG" and resid 91   and name HA  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      2.700     0.900     0.900 peak  1400 spectrum    1 weight  0.10000E+01 volume  0.21519E-02 ppm1      4.748 ppm2      0.161 CV     1
 ASSI { 1402}
   (( segid " 1SG" and resid 68   and name HG1 ))
   (( segid " 1SG" and resid 68   and name HB2 ))
      2.700     0.900     0.900 peak  1402 spectrum    1 weight  0.10000E+01 volume  0.21477E-02 ppm1      1.273 ppm2      1.772 CV     1
 OR { 1402}
   (( segid " 1SG" and resid 68   and name HG2 ))
   (( segid " 1SG" and resid 68   and name HB2 ))
 ASSI { 1404}
   (( segid " 1SG" and resid 37   and name HA  ))
   (( segid " 1SG" and resid 37   and name HB2 ))
      2.900     1.000     1.000 peak  1404 spectrum    1 weight  0.10000E+01 volume  0.21441E-02 ppm1      4.505 ppm2      1.382 CV     1
 OR { 1404}
   (( segid " 1SG" and resid 37   and name HA  ))
   (( segid " 1SG" and resid 37   and name HG2 ))
 ASSI { 1406}
   (  segid " 1SG" and resid 53   and name HG1%)
   (( segid " 1SG" and resid 58   and name HA  ))
      2.800     1.000     1.000 peak  1406 spectrum    1 weight  0.10000E+01 volume  0.21390E-02 ppm1      1.121 ppm2      4.624 CV     1
 ASSI { 1408}
   (( segid " 1SG" and resid 28   and name HA  ))
   (  segid " 1SG" and resid 28   and name HG1%)
      2.600     0.900     0.900 peak  1408 spectrum    1 weight  0.10000E+01 volume  0.21340E-02 ppm1      4.915 ppm2      0.817 CV     1
 ASSI { 1412}
   (  segid " 1SG" and resid 74   and name HD2%)
   (( segid " 1SG" and resid 59   and name HG  ))
      2.600     0.800     0.800 peak  1412 spectrum    1 weight  0.10000E+01 volume  0.21258E-02 ppm1      0.409 ppm2      1.447 CV     1
 OR { 1412}
   (  segid " 1SG" and resid 74   and name HD1%)
   (( segid " 1SG" and resid 59   and name HG  ))
 ASSI { 1420}
   (( segid " 1SG" and resid 75   and name HA  ))
   (( segid " 1SG" and resid 75   and name HB1 ))
      2.700     0.900     0.900 peak  1420 spectrum    1 weight  0.10000E+01 volume  0.21049E-02 ppm1      5.087 ppm2      2.897 CV     1
 OR { 1420}
   (( segid " 1SG" and resid 75   and name HA  ))
   (( segid " 1SG" and resid 75   and name HB2 ))
 ASSI { 1421}
   (( segid " 1SG" and resid 45   and name HD2 ))
   (  segid " 1SG" and resid 104  and name HD2%)
      3.000     3.000     3.000 peak  1421 spectrum    1 weight  0.10000E+01 volume  0.21034E-02 ppm1      1.234 ppm2      0.834 CV     1
 OR { 1421}
   (( segid " 1SG" and resid 45   and name HD1 ))
   (  segid " 1SG" and resid 104  and name HD2%)
 ASSI { 1426}
   (( segid " 1SG" and resid 2    and name HA  ))
   (( segid " 1SG" and resid 2    and name HB2 ))
      2.600     0.900     0.900 peak  1426 spectrum    1 weight  0.10000E+01 volume  0.20971E-02 ppm1      4.912 ppm2      2.661 CV     1
 ASSI { 1428}
   (( segid " 1SG" and resid 33   and name HG  ))
   (( segid " 1SG" and resid 37   and name HG2 ))
      3.400     3.400     2.600 peak  1428 spectrum    1 weight  0.10000E+01 volume  0.20961E-02 ppm1      0.929 ppm2      1.379 CV     1
 OR { 1428}
   (( segid " 1SG" and resid 33   and name HG  ))
   (( segid " 1SG" and resid 37   and name HB2 ))
 ASSI { 1433}
   (( segid " 1SG" and resid 105  and name HB  ))
   (( segid " 1SG" and resid 15   and name HA  ))
      2.600     0.800     0.800 peak  1433 spectrum    1 weight  0.10000E+01 volume  0.20917E-02 ppm1      3.901 ppm2      5.501 CV     1
 ASSI { 1435}
   (( segid " 1SG" and resid 12   and name HA  ))
   (( segid " 1SG" and resid 12   and name HG2 ))
      2.900     1.100     1.100 peak  1435 spectrum    1 weight  0.10000E+01 volume  0.20898E-02 ppm1      4.685 ppm2      2.479 CV     1
 OR { 1435}
   (( segid " 1SG" and resid 12   and name HA  ))
   (( segid " 1SG" and resid 12   and name HG1 ))
 ASSI { 1437}
   (( segid " 1SG" and resid 61   and name HA  ))
   (( segid " 1SG" and resid 61   and name HB2 ))
      2.800     1.000     1.000 peak  1437 spectrum    1 weight  0.10000E+01 volume  0.20884E-02 ppm1      5.569 ppm2      2.306 CV     1
 ASSI { 1443}
   (( segid " 1SG" and resid 22   and name HA  ))
   (( segid " 1SG" and resid 104  and name HB2 ))
      3.500     3.500     2.500 peak  1443 spectrum    1 weight  0.10000E+01 volume  0.20760E-02 ppm1      4.357 ppm2      1.253 CV     1
 ASSI { 1453}
   (( segid " 1SG" and resid 4    and name HA  ))
   (  segid " 1SG" and resid 4    and name HD1%)
      3.000     1.100     1.100 peak  1453 spectrum    1 weight  0.10000E+01 volume  0.20613E-02 ppm1      4.030 ppm2      0.969 CV     1
 ASSI { 1456}
   (( segid " 1SG" and resid 9    and name HA  ))
   (( segid " 1SG" and resid 27   and name HD1 ))
      3.200     1.300     1.300 peak  1456 spectrum    1 weight  0.10000E+01 volume  0.20536E-02 ppm1      4.631 ppm2      3.112 CV     1
 OR { 1456}
   (( segid " 1SG" and resid 9    and name HA  ))
   (( segid " 1SG" and resid 27   and name HD2 ))
 ASSI { 1457}
   (( segid " 1SG" and resid 57   and name HG  ))
   (  segid " 1SG" and resid 49   and name HD2%)
      2.500     0.800     0.800 peak  1457 spectrum    1 weight  0.10000E+01 volume  0.20535E-02 ppm1      0.752 ppm2      1.025 CV     1
 ASSI { 1461}
   (( segid " 1SG" and resid 12   and name HB2 ))
   (( segid " 1SG" and resid 12   and name HA  ))
      3.000     1.100     1.100 peak  1461 spectrum    1 weight  0.10000E+01 volume  0.20420E-02 ppm1      1.970 ppm2      4.684 CV     1
 ASSI { 1470}
   (  segid " 1SG" and resid 106  and name HG1%)
   (( segid " 1SG" and resid 104  and name HG  ))
      2.800     1.000     1.000 peak  1470 spectrum    1 weight  0.10000E+01 volume  0.20319E-02 ppm1      0.689 ppm2      1.337 CV     1
 ASSI { 1471}
   (  segid " 1SG" and resid 76   and name HG2%)
   (( segid " 1SG" and resid 76   and name HG12))
      2.600     0.800     0.800 peak  1471 spectrum    1 weight  0.10000E+01 volume  0.20308E-02 ppm1      0.820 ppm2      1.098 CV     1
 ASSI { 1479}
   (( segid " 1SG" and resid 53   and name HA  ))
   (  segid " 1SG" and resid 57   and name HD1%)
      2.500     0.800     0.800 peak  1479 spectrum    1 weight  0.10000E+01 volume  0.20160E-02 ppm1      4.059 ppm2      0.613 CV     1
 OR { 1479}
   (( segid " 1SG" and resid 53   and name HA  ))
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI { 1481}
   (( segid " 1SG" and resid 40   and name HA  ))
   (( segid " 1SG" and resid 40   and name HB2 ))
      2.700     0.900     0.900 peak  1481 spectrum    1 weight  0.10000E+01 volume  0.20153E-02 ppm1      4.549 ppm2      1.359 CV     1
 ASSI { 1486}
   (( segid " 1SG" and resid 14   and name HA1 ))
   (  segid " 1SG" and resid 22   and name HD1%)
      2.600     0.800     0.800 peak  1486 spectrum    1 weight  0.10000E+01 volume  0.20091E-02 ppm1      3.757 ppm2      0.548 CV     1
 ASSI { 1490}
   (  segid " 1SG" and resid 77   and name HG2%)
   (( segid " 1SG" and resid 22   and name HB  ))
      3.100     3.100     2.900 peak  1490 spectrum    1 weight  0.10000E+01 volume  0.19943E-02 ppm1      1.074 ppm2      1.515 CV     1
 ASSI { 1493}
   (( segid " 1SG" and resid 21   and name HA  ))
   (( segid " 1SG" and resid 21   and name HB2 ))
      2.600     0.800     0.800 peak  1493 spectrum    1 weight  0.10000E+01 volume  0.19908E-02 ppm1      5.515 ppm2      3.764 CV     1
 ASSI { 1494}
   (( segid " 1SG" and resid 74   and name HB2 ))
   (  segid " 1SG" and resid 74   and name HD1%)
      3.000     1.100     1.100 peak  1494 spectrum    1 weight  0.10000E+01 volume  0.19904E-02 ppm1     -0.825 ppm2      0.419 CV     1
 OR { 1494}
   (( segid " 1SG" and resid 74   and name HB2 ))
   (  segid " 1SG" and resid 74   and name HD2%)
 ASSI { 1497}
   (( segid " 1SG" and resid 71   and name HB2 ))
   (  segid " 1SG" and resid 71   and name HD2%)
      2.700     0.900     0.900 peak  1497 spectrum    1 weight  0.10000E+01 volume  0.19869E-02 ppm1      1.272 ppm2      0.752 CV     1
 ASSI { 1504}
   (( segid " 1SG" and resid 105  and name HB  ))
   (( segid " 1SG" and resid 15   and name HG2 ))
      2.800     1.000     1.000 peak  1504 spectrum    1 weight  0.10000E+01 volume  0.19774E-02 ppm1      3.909 ppm2      2.266 CV     1
 OR { 1504}
   (( segid " 1SG" and resid 105  and name HB  ))
   (( segid " 1SG" and resid 15   and name HG1 ))
 ASSI { 1508}
   (( segid " 1SG" and resid 76   and name HB  ))
   (  segid " 1SG" and resid 76   and name HD1%)
      2.600     0.900     0.900 peak  1508 spectrum    1 weight  0.10000E+01 volume  0.19666E-02 ppm1      1.941 ppm2      0.670 CV     1
 ASSI { 1516}
   (( segid " 1SG" and resid 36   and name HB2 ))
   (( segid " 1SG" and resid 36   and name HG2 ))
      2.600     0.800     0.800 peak  1516 spectrum    1 weight  0.10000E+01 volume  0.19554E-02 ppm1      1.634 ppm2      1.985 CV     1
 ASSI { 1518}
   (( segid " 1SG" and resid 34   and name HA  ))
   (( segid " 1SG" and resid 94   and name HA  ))
      3.200     3.200     2.800 peak  1518 spectrum    1 weight  0.10000E+01 volume  0.19540E-02 ppm1      4.293 ppm2      4.063 CV     1
 ASSI { 1523}
   (( segid " 1SG" and resid 59   and name HG  ))
   (  segid " 1SG" and resid 57   and name HD2%)
      3.300     1.400     1.400 peak  1523 spectrum    1 weight  0.10000E+01 volume  0.19437E-02 ppm1      1.446 ppm2      0.612 CV     1
 OR { 1523}
   (( segid " 1SG" and resid 59   and name HG  ))
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI { 1527}
   (  segid " 1SG" and resid 6    and name HD1%)
   (  segid " 1SG" and resid 28   and name HG1%)
      2.800     1.000     1.000 peak  1527 spectrum    1 weight  0.10000E+01 volume  0.19356E-02 ppm1      0.670 ppm2      0.820 CV     1
 ASSI { 1529}
   (( segid " 1SG" and resid 25   and name HA  ))
   (( segid " 1SG" and resid 73   and name HA  ))
      2.500     0.800     0.800 peak  1529 spectrum    1 weight  0.10000E+01 volume  0.19342E-02 ppm1      5.692 ppm2      5.470 CV     1
 ASSI { 1539}
   (( segid " 1SG" and resid 106  and name HA  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      2.700     0.900     0.900 peak  1539 spectrum    1 weight  0.10000E+01 volume  0.19209E-02 ppm1      4.721 ppm2      0.624 CV     1
 ASSI { 1545}
   (( segid " 1SG" and resid 14   and name HA2 ))
   (  segid " 1SG" and resid 22   and name HD1%)
      3.500     1.500     1.500 peak  1545 spectrum    1 weight  0.10000E+01 volume  0.19009E-02 ppm1      4.934 ppm2      0.546 CV     1
 ASSI { 1547}
   (  segid " 1SG" and resid 18   and name HG2%)
   (( segid " 1SG" and resid 81   and name HD2 ))
      3.300     1.300     1.300 peak  1547 spectrum    1 weight  0.10000E+01 volume  0.18976E-02 ppm1      0.966 ppm2      3.590 CV     1
 ASSI { 1554}
   (  segid " 1SG" and resid 71   and name HD2%)
   (  segid " 1SG" and resid 74   and name HD2%)
      3.100     3.100     2.900 peak  1554 spectrum    1 weight  0.10000E+01 volume  0.18870E-02 ppm1      0.716 ppm2      0.408 CV     1
 OR { 1554}
   (  segid " 1SG" and resid 71   and name HD2%)
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI { 1576}
   (( segid " 1SG" and resid 33   and name HA  ))
   (( segid " 1SG" and resid 33   and name HG  ))
      3.300     1.300     1.300 peak  1576 spectrum    1 weight  0.10000E+01 volume  0.18596E-02 ppm1      4.452 ppm2      0.920 CV     1
 ASSI { 1580}
   (( segid " 1SG" and resid 61   and name HB2 ))
   (( segid " 1SG" and resid 63   and name HB2 ))
      2.800     2.800     3.200 peak  1580 spectrum    1 weight  0.10000E+01 volume  0.18478E-02 ppm1      2.281 ppm2      2.543 CV     1
 ASSI { 1587}
   (  segid " 1SG" and resid 39   and name HG1%)
   (( segid " 1SG" and resid 39   and name HA  ))
      2.700     0.900     0.900 peak  1587 spectrum    1 weight  0.10000E+01 volume  0.18439E-02 ppm1     -0.057 ppm2      4.810 CV     1
 ASSI { 1598}
   (( segid " 1SG" and resid 53   and name HA  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      3.400     1.400     1.400 peak  1598 spectrum    1 weight  0.10000E+01 volume  0.18286E-02 ppm1      4.052 ppm2      1.467 CV     1
 ASSI { 1605}
   (( segid " 1SG" and resid 88   and name HB2 ))
   (( segid " 1SG" and resid 40   and name HD2 ))
      2.900     2.900     3.100 peak  1605 spectrum    1 weight  0.10000E+01 volume  0.18225E-02 ppm1      1.705 ppm2      1.711 CV     1
 OR { 1605}
   (( segid " 1SG" and resid 88   and name HB2 ))
   (( segid " 1SG" and resid 40   and name HD1 ))
 ASSI { 1616}
   (( segid " 1SG" and resid 108  and name HG1 ))
   (( segid " 1SG" and resid 108  and name HA  ))
      2.800     1.000     1.000 peak  1616 spectrum    1 weight  0.10000E+01 volume  0.18043E-02 ppm1      2.201 ppm2      4.149 CV     1
 OR { 1616}
   (( segid " 1SG" and resid 108  and name HG2 ))
   (( segid " 1SG" and resid 108  and name HA  ))
 ASSI { 1617}
   (( segid " 1SG" and resid 74   and name HB2 ))
   (  segid " 1SG" and resid 57   and name HD2%)
      3.600     1.700     1.700 peak  1617 spectrum    1 weight  0.10000E+01 volume  0.18039E-02 ppm1     -0.817 ppm2      0.626 CV     1
 OR { 1617}
   (( segid " 1SG" and resid 74   and name HB2 ))
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI { 1622}
   (( segid " 1SG" and resid 45   and name HG2 ))
   (( segid " 1SG" and resid 45   and name HA  ))
      2.800     1.000     1.000 peak  1622 spectrum    1 weight  0.10000E+01 volume  0.18007E-02 ppm1      0.599 ppm2      3.499 CV     1
 ASSI { 1624}
   (( segid " 1SG" and resid 68   and name HA  ))
   (( segid " 1SG" and resid 68   and name HB2 ))
      2.700     0.900     0.900 peak  1624 spectrum    1 weight  0.10000E+01 volume  0.17987E-02 ppm1      3.604 ppm2      1.772 CV     1
 ASSI { 1631}
   (( segid " 1SG" and resid 16   and name HB  ))
   (  segid " 1SG" and resid 22   and name HD1%)
      3.300     1.300     1.300 peak  1631 spectrum    1 weight  0.10000E+01 volume  0.17839E-02 ppm1      1.820 ppm2      0.552 CV     1
 ASSI { 1634}
   (  segid " 1SG" and resid 59   and name HD1%)
   (( segid " 1SG" and resid 43   and name HB2 ))
      3.700     1.700     1.700 peak  1634 spectrum    1 weight  0.10000E+01 volume  0.17752E-02 ppm1      0.832 ppm2      1.231 CV     1
 ASSI { 1636}
   (( segid " 1SG" and resid 8    and name HB  ))
   (( segid " 1SG" and resid 27   and name HB2 ))
      2.600     0.900     0.900 peak  1636 spectrum    1 weight  0.10000E+01 volume  0.17711E-02 ppm1      1.813 ppm2      1.600 CV     1
 OR { 1636}
   (( segid " 1SG" and resid 8    and name HB  ))
   (( segid " 1SG" and resid 27   and name HB1 ))
 ASSI { 1638}
   (( segid " 1SG" and resid 108  and name HA  ))
   (  segid " 1SG" and resid 18   and name HG1%)
      3.500     1.500     1.500 peak  1638 spectrum    1 weight  0.10000E+01 volume  0.17654E-02 ppm1      4.155 ppm2      1.005 CV     1
 ASSI { 1643}
   (( segid " 1SG" and resid 45   and name HB2 ))
   (( segid " 1SG" and resid 45   and name HA  ))
      2.800     1.000     1.000 peak  1643 spectrum    1 weight  0.10000E+01 volume  0.17607E-02 ppm1      0.604 ppm2      3.498 CV     1
 ASSI { 1653}
   (( segid " 1SG" and resid 4    and name HB  ))
   (( segid " 1SG" and resid 96   and name HB2 ))
      2.700     0.900     0.900 peak  1653 spectrum    1 weight  0.10000E+01 volume  0.17434E-02 ppm1      2.052 ppm2      1.589 CV     1
 ASSI { 1657}
   (( segid " 1SG" and resid 52   and name HD1 ))
   (( segid " 1SG" and resid 48   and name HB2 ))
      2.800     1.000     1.000 peak  1657 spectrum    1 weight  0.10000E+01 volume  0.17344E-02 ppm1      1.575 ppm2      2.922 CV     1
 ASSI { 1660}
   (( segid " 1SG" and resid 76   and name HG12))
   (  segid " 1SG" and resid 57   and name HD2%)
      2.400     0.700     0.700 peak  1660 spectrum    1 weight  0.10000E+01 volume  0.17325E-02 ppm1      1.094 ppm2      0.621 CV     1
 OR { 1660}
   (( segid " 1SG" and resid 76   and name HG12))
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI { 1671}
   (( segid " 1SG" and resid 60   and name HB2 ))
   (( segid " 1SG" and resid 60   and name HA  ))
      3.000     1.200     1.200 peak  1671 spectrum    1 weight  0.10000E+01 volume  0.17183E-02 ppm1      2.975 ppm2      5.071 CV     1
 ASSI { 1672}
   (( segid " 1SG" and resid 43   and name HD2 ))
   (  segid " 1SG" and resid 49   and name HD1%)
      3.400     1.400     1.400 peak  1672 spectrum    1 weight  0.10000E+01 volume  0.17173E-02 ppm1      1.322 ppm2      1.761 CV     1
 OR { 1672}
   (( segid " 1SG" and resid 43   and name HD1 ))
   (  segid " 1SG" and resid 49   and name HD1%)
 ASSI { 1674}
   (( segid " 1SG" and resid 52   and name HB2 ))
   (( segid " 1SG" and resid 52   and name HG2 ))
      2.700     0.900     0.900 peak  1674 spectrum    1 weight  0.10000E+01 volume  0.17154E-02 ppm1      1.737 ppm2      1.330 CV     1
 OR { 1674}
   (( segid " 1SG" and resid 52   and name HB2 ))
   (( segid " 1SG" and resid 52   and name HG1 ))
 ASSI { 1676}
   (( segid " 1SG" and resid 36   and name HA  ))
   (( segid " 1SG" and resid 37   and name HD2 ))
      2.600     0.900     0.900 peak  1676 spectrum    1 weight  0.10000E+01 volume  0.17129E-02 ppm1      4.005 ppm2      2.360 CV     1
 ASSI { 1689}
   (( segid " 1SG" and resid 16   and name HA  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      3.200     1.300     1.300 peak  1689 spectrum    1 weight  0.10000E+01 volume  0.16968E-02 ppm1      4.604 ppm2      0.629 CV     1
 ASSI { 1694}
   (( segid " 1SG" and resid 57   and name HB2 ))
   (  segid " 1SG" and resid 57   and name HD2%)
      2.900     1.100     1.100 peak  1694 spectrum    1 weight  0.10000E+01 volume  0.16875E-02 ppm1      1.477 ppm2      0.615 CV     1
 OR { 1694}
   (( segid " 1SG" and resid 57   and name HB2 ))
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI { 1700}
   (( segid " 1SG" and resid 35   and name HG1 ))
   (( segid " 1SG" and resid 35   and name HA  ))
      3.200     1.300     1.300 peak  1700 spectrum    1 weight  0.10000E+01 volume  0.16818E-02 ppm1      1.361 ppm2      4.667 CV     1
 OR { 1700}
   (( segid " 1SG" and resid 35   and name HG2 ))
   (( segid " 1SG" and resid 35   and name HA  ))
 ASSI { 1703}
   (( segid " 1SG" and resid 25   and name HB2 ))
   (( segid " 1SG" and resid 25   and name HA  ))
      3.000     1.100     1.100 peak  1703 spectrum    1 weight  0.10000E+01 volume  0.16811E-02 ppm1      3.602 ppm2      5.692 CV     1
 ASSI { 1707}
   (( segid " 1SG" and resid 105  and name HA  ))
   (( segid " 1SG" and resid 84   and name HA  ))
      2.800     1.000     1.000 peak  1707 spectrum    1 weight  0.10000E+01 volume  0.16781E-02 ppm1      4.518 ppm2      4.230 CV     1
 OR { 1707}
   (( segid " 1SG" and resid 105  and name HA  ))
   (( segid " 1SG" and resid 84   and name HB  ))
 ASSI { 1720}
   (( segid " 1SG" and resid 36   and name HA  ))
   (( segid " 1SG" and resid 36   and name HB2 ))
      3.100     1.200     1.200 peak  1720 spectrum    1 weight  0.10000E+01 volume  0.16652E-02 ppm1      4.007 ppm2      1.642 CV     1
 ASSI { 1726}
   (( segid " 1SG" and resid 88   and name HA  ))
   (( segid " 1SG" and resid 100  and name HB2 ))
      3.200     3.200     2.800 peak  1726 spectrum    1 weight  0.10000E+01 volume  0.16572E-02 ppm1      5.349 ppm2      2.953 CV     1
 ASSI { 1727}
   (  segid " 1SG" and resid 104  and name HD1%)
   (  segid " 1SG" and resid 24   and name HE% )
      3.000     1.100     1.100 peak  1727 spectrum    1 weight  0.10000E+01 volume  0.16553E-02 ppm1      0.987 ppm2      7.171 CV     1
 ASSI { 1730}
   (  segid " 1SG" and resid 49   and name HD2%)
   (( segid " 1SG" and resid 59   and name HB2 ))
      2.500     0.800     0.800 peak  1730 spectrum    1 weight  0.10000E+01 volume  0.16545E-02 ppm1      1.042 ppm2      1.718 CV     1
 OR { 1730}
   (  segid " 1SG" and resid 49   and name HD2%)
   (( segid " 1SG" and resid 59   and name HB1 ))
 ASSI { 1748}
   (( segid " 1SG" and resid 23   and name HB  ))
   (( segid " 1SG" and resid 23   and name HA  ))
      2.900     1.000     1.000 peak  1748 spectrum    1 weight  0.10000E+01 volume  0.16295E-02 ppm1      3.583 ppm2      5.116 CV     1
 ASSI { 1752}
   (  segid " 1SG" and resid 74   and name HD1%)
   (  segid " 1SG" and resid 59   and name HD1%)
      3.100     1.200     1.200 peak  1752 spectrum    1 weight  0.10000E+01 volume  0.16205E-02 ppm1      0.412 ppm2      0.852 CV     1
 OR { 1752}
   (  segid " 1SG" and resid 74   and name HD2%)
   (  segid " 1SG" and resid 59   and name HD1%)
 ASSI { 1760}
   (( segid " 1SG" and resid 49   and name HB2 ))
   (( segid " 1SG" and resid 52   and name HB2 ))
      3.400     1.500     1.500 peak  1760 spectrum    1 weight  0.10000E+01 volume  0.16085E-02 ppm1      1.571 ppm2      1.728 CV     1
 ASSI { 1764}
   (  segid " 1SG" and resid 76   and name HG2%)
   (( segid " 1SG" and resid 79   and name HA  ))
      2.800     1.000     1.000 peak  1764 spectrum    1 weight  0.10000E+01 volume  0.16033E-02 ppm1      0.825 ppm2      3.685 CV     1
 ASSI { 1771}
   (( segid " 1SG" and resid 36   and name HD2 ))
   (( segid " 1SG" and resid 36   and name HG2 ))
      2.600     0.900     0.900 peak  1771 spectrum    1 weight  0.10000E+01 volume  0.15981E-02 ppm1      3.510 ppm2      1.963 CV     1
 ASSI { 1789}
   (( segid " 1SG" and resid 9    and name HB2 ))
   (( segid " 1SG" and resid 9    and name HA  ))
      2.800     1.000     1.000 peak  1789 spectrum    1 weight  0.10000E+01 volume  0.15867E-02 ppm1      1.915 ppm2      4.655 CV     1
 ASSI { 1791}
   (( segid " 1SG" and resid 8    and name HB  ))
   (( segid " 1SG" and resid 8    and name HA  ))
      2.900     1.100     1.100 peak  1791 spectrum    1 weight  0.10000E+01 volume  0.15844E-02 ppm1      1.840 ppm2      4.168 CV     1
 ASSI { 1800}
   (  segid " 1SG" and resid 18   and name HG2%)
   (( segid " 1SG" and resid 80   and name HE21))
      3.200     3.200     2.800 peak  1800 spectrum    1 weight  0.10000E+01 volume  0.15748E-02 ppm1      0.979 ppm2      6.971 CV     1
 ASSI { 1802}
   (( segid " 1SG" and resid 72   and name HB2 ))
   (( segid " 1SG" and resid 72   and name HA  ))
      2.900     1.000     1.000 peak  1802 spectrum    1 weight  0.10000E+01 volume  0.15710E-02 ppm1      2.934 ppm2      5.351 CV     1
 ASSI { 1807}
   (( segid " 1SG" and resid 92   and name HB2 ))
   (  segid " 1SG" and resid 93   and name HG2%)
      3.300     3.300     2.700 peak  1807 spectrum    1 weight  0.10000E+01 volume  0.15660E-02 ppm1      3.877 ppm2      1.043 CV     1
 OR { 1807}
   (( segid " 1SG" and resid 92   and name HB1 ))
   (  segid " 1SG" and resid 93   and name HG2%)
 ASSI { 1808}
   (( segid " 1SG" and resid 6    and name HG  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      2.700     0.900     0.900 peak  1808 spectrum    1 weight  0.10000E+01 volume  0.15644E-02 ppm1      1.340 ppm2      0.494 CV     1
 ASSI { 1809}
   (( segid " 1SG" and resid 24   and name HA  ))
   (( segid " 1SG" and resid 24   and name HB2 ))
      3.100     1.200     1.200 peak  1809 spectrum    1 weight  0.10000E+01 volume  0.15644E-02 ppm1      4.619 ppm2      2.415 CV     1
 ASSI { 1811}
   (  segid " 1SG" and resid 59   and name HD1%)
   (( segid " 1SG" and resid 50   and name HA  ))
      2.900     1.000     1.000 peak  1811 spectrum    1 weight  0.10000E+01 volume  0.15599E-02 ppm1      0.869 ppm2      3.945 CV     1
 ASSI { 1812}
   (( segid " 1SG" and resid 103  and name HB2 ))
   (( segid " 1SG" and resid 103  and name HA  ))
      3.100     1.200     1.200 peak  1812 spectrum    1 weight  0.10000E+01 volume  0.15599E-02 ppm1      2.506 ppm2      5.551 CV     1
 ASSI { 1815}
   (( segid " 1SG" and resid 105  and name HA  ))
   (( segid " 1SG" and resid 105  and name HB  ))
      2.800     1.000     1.000 peak  1815 spectrum    1 weight  0.10000E+01 volume  0.15581E-02 ppm1      4.515 ppm2      3.913 CV     1
 ASSI { 1823}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 104  and name HB2 ))
      3.100     1.200     1.200 peak  1823 spectrum    1 weight  0.10000E+01 volume  0.15519E-02 ppm1      0.619 ppm2      1.254 CV     1
 ASSI { 1826}
   (  segid " 1SG" and resid 91   and name HG2%)
   (  segid " 1SG" and resid 93   and name HG2%)
      3.300     1.400     1.400 peak  1826 spectrum    1 weight  0.10000E+01 volume  0.15475E-02 ppm1      0.186 ppm2      1.045 CV     1
 OR { 1826}
   (  segid " 1SG" and resid 91   and name HG1%)
   (  segid " 1SG" and resid 93   and name HG2%)
 ASSI { 1830}
   (( segid " 1SG" and resid 29   and name HA  ))
   (  segid " 1SG" and resid 8    and name HG2%)
      2.900     1.000     1.000 peak  1830 spectrum    1 weight  0.10000E+01 volume  0.15426E-02 ppm1      4.395 ppm2      0.954 CV     1
 ASSI { 1831}
   (  segid " 1SG" and resid 49   and name HD2%)
   (( segid " 1SG" and resid 49   and name HB2 ))
      3.000     1.100     1.100 peak  1831 spectrum    1 weight  0.10000E+01 volume  0.15421E-02 ppm1      1.030 ppm2      1.580 CV     1
 ASSI { 1841}
   (( segid " 1SG" and resid 52   and name HB2 ))
   (( segid " 1SG" and resid 52   and name HA  ))
      3.000     1.100     1.100 peak  1841 spectrum    1 weight  0.10000E+01 volume  0.15303E-02 ppm1      1.738 ppm2      4.629 CV     1
 ASSI { 1843}
   (( segid " 1SG" and resid 58   and name HA  ))
   (( segid " 1SG" and resid 58   and name HG2 ))
      3.400     1.400     1.400 peak  1843 spectrum    1 weight  0.10000E+01 volume  0.15294E-02 ppm1      4.621 ppm2      1.817 CV     1
 ASSI { 1852}
   (( segid " 1SG" and resid 69   and name HA  ))
   (( segid " 1SG" and resid 29   and name HA  ))
      2.800     0.900     0.900 peak  1852 spectrum    1 weight  0.10000E+01 volume  0.15135E-02 ppm1      4.592 ppm2      4.392 CV     1
 ASSI { 1853}
   (( segid " 1SG" and resid 57   and name HG  ))
   (( segid " 1SG" and resid 49   and name HB2 ))
      3.500     1.500     1.500 peak  1853 spectrum    1 weight  0.10000E+01 volume  0.15129E-02 ppm1      0.753 ppm2      1.558 CV     1
 ASSI { 1858}
   (( segid " 1SG" and resid 96   and name HB2 ))
   (( segid " 1SG" and resid 4    and name HG12))
      2.700     0.900     0.900 peak  1858 spectrum    1 weight  0.10000E+01 volume  0.15065E-02 ppm1      1.612 ppm2      1.245 CV     1
 ASSI { 1870}
   (( segid " 1SG" and resid 15   and name HA  ))
   (( segid " 1SG" and resid 15   and name HG2 ))
      2.900     1.100     1.100 peak  1870 spectrum    1 weight  0.10000E+01 volume  0.14925E-02 ppm1      5.504 ppm2      2.280 CV     1
 OR { 1870}
   (( segid " 1SG" and resid 15   and name HA  ))
   (( segid " 1SG" and resid 15   and name HG1 ))
 ASSI { 1875}
   (( segid " 1SG" and resid 22   and name HB  ))
   (( segid " 1SG" and resid 104  and name HB2 ))
      3.200     1.300     1.300 peak  1875 spectrum    1 weight  0.10000E+01 volume  0.14898E-02 ppm1      1.541 ppm2      1.250 CV     1
 ASSI { 1880}
   (( segid " 1SG" and resid 56   and name HA  ))
   (( segid " 1SG" and resid 56   and name HB2 ))
      2.900     1.100     1.100 peak  1880 spectrum    1 weight  0.10000E+01 volume  0.14858E-02 ppm1      4.971 ppm2      3.108 CV     1
 ASSI { 1884}
   (( segid " 1SG" and resid 52   and name HG1 ))
   (( segid " 1SG" and resid 53   and name HB  ))
      3.500     3.500     2.500 peak  1884 spectrum    1 weight  0.10000E+01 volume  0.14842E-02 ppm1      1.340 ppm2      2.157 CV     1
 OR { 1884}
   (( segid " 1SG" and resid 52   and name HG2 ))
   (( segid " 1SG" and resid 53   and name HB  ))
 ASSI { 1886}
   (( segid " 1SG" and resid 18   and name HA  ))
   (  segid " 1SG" and resid 79   and name HB% )
      3.000     1.100     1.100 peak  1886 spectrum    1 weight  0.10000E+01 volume  0.14835E-02 ppm1      3.516 ppm2      1.196 CV     1
 ASSI { 1887}
   (( segid " 1SG" and resid 4    and name HB  ))
   (( segid " 1SG" and resid 4    and name HA  ))
      2.800     1.000     1.000 peak  1887 spectrum    1 weight  0.10000E+01 volume  0.14834E-02 ppm1      2.054 ppm2      4.033 CV     1
 ASSI { 1888}
   (( segid " 1SG" and resid 37   and name HB2 ))
   (( segid " 1SG" and resid 37   and name HA  ))
      3.000     1.100     1.100 peak  1888 spectrum    1 weight  0.10000E+01 volume  0.14826E-02 ppm1      1.383 ppm2      4.501 CV     1
 ASSI { 1889}
   (( segid " 1SG" and resid 91   and name HA  ))
   (( segid " 1SG" and resid 91   and name HB  ))
      2.700     0.900     0.900 peak  1889 spectrum    1 weight  0.10000E+01 volume  0.14823E-02 ppm1      4.743 ppm2      1.134 CV     1
 ASSI { 1894}
   (  segid " 1SG" and resid 8    and name HG2%)
   (( segid " 1SG" and resid 28   and name HA  ))
      3.100     1.200     1.200 peak  1894 spectrum    1 weight  0.10000E+01 volume  0.14783E-02 ppm1      0.958 ppm2      4.912 CV     1
 OR { 1894}
   (  segid " 1SG" and resid 8    and name HG1%)
   (( segid " 1SG" and resid 28   and name HA  ))
 ASSI { 1895}
   (( segid " 1SG" and resid 6    and name HG  ))
   (  segid " 1SG" and resid 6    and name HD1%)
      2.700     0.900     0.900 peak  1895 spectrum    1 weight  0.10000E+01 volume  0.14775E-02 ppm1      1.341 ppm2      0.677 CV     1
 ASSI { 1898}
   (( segid " 1SG" and resid 49   and name HA  ))
   (( segid " 1SG" and resid 52   and name HB2 ))
      2.600     0.800     0.800 peak  1898 spectrum    1 weight  0.10000E+01 volume  0.14770E-02 ppm1      3.862 ppm2      1.730 CV     1
 ASSI { 1902}
   (( segid " 1SG" and resid 27   and name HA  ))
   (( segid " 1SG" and resid 71   and name HA  ))
      2.500     0.800     0.800 peak  1902 spectrum    1 weight  0.10000E+01 volume  0.14718E-02 ppm1      5.835 ppm2      5.076 CV     1
 ASSI { 1905}
   (  segid " 1SG" and resid 104  and name HD1%)
   (( segid " 1SG" and resid 14   and name HA1 ))
      3.000     1.100     1.100 peak  1905 spectrum    1 weight  0.10000E+01 volume  0.14670E-02 ppm1      0.975 ppm2      3.753 CV     1
 ASSI { 1907}
   (( segid " 1SG" and resid 4    and name HB  ))
   (( segid " 1SG" and resid 4    and name HG12))
      2.600     0.900     0.900 peak  1907 spectrum    1 weight  0.10000E+01 volume  0.14613E-02 ppm1      2.046 ppm2      1.247 CV     1
 ASSI { 1908}
   (( segid " 1SG" and resid 45   and name HG2 ))
   (( segid " 1SG" and resid 45   and name HD1 ))
      2.900     1.100     1.100 peak  1908 spectrum    1 weight  0.10000E+01 volume  0.14609E-02 ppm1      0.596 ppm2      1.238 CV     1
 OR { 1908}
   (( segid " 1SG" and resid 45   and name HG2 ))
   (( segid " 1SG" and resid 45   and name HD2 ))
 ASSI { 1924}
   (( segid " 1SG" and resid 43   and name HB2 ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      3.400     3.400     2.600 peak  1924 spectrum    1 weight  0.10000E+01 volume  0.14383E-02 ppm1      1.237 ppm2      1.469 CV     1
 ASSI { 1936}
   (  segid " 1SG" and resid 39   and name HG2%)
   (  segid " 1SG" and resid 28   and name HG2%)
      2.900     1.000     1.000 peak  1936 spectrum    1 weight  0.10000E+01 volume  0.14320E-02 ppm1     -0.444 ppm2      0.644 CV     1
 ASSI { 1941}
   (  segid " 1SG" and resid 26   and name HB% )
   (  segid " 1SG" and resid 28   and name HG2%)
      2.900     1.100     1.100 peak  1941 spectrum    1 weight  0.10000E+01 volume  0.14253E-02 ppm1      1.468 ppm2      0.658 CV     1
 ASSI { 1950}
   (( segid " 1SG" and resid 24   and name HA  ))
   (( segid " 1SG" and resid 12   and name HG2 ))
      2.500     2.500     3.500 peak  1950 spectrum    1 weight  0.10000E+01 volume  0.14190E-02 ppm1      4.620 ppm2      2.453 CV     1
 OR { 1950}
   (( segid " 1SG" and resid 24   and name HA  ))
   (( segid " 1SG" and resid 12   and name HG1 ))
 ASSI { 1953}
   (  segid " 1SG" and resid 8    and name HG1%)
   (( segid " 1SG" and resid 27   and name HD2 ))
      3.100     1.200     1.200 peak  1953 spectrum    1 weight  0.10000E+01 volume  0.14173E-02 ppm1      0.980 ppm2      3.114 CV     1
 OR { 1953}
   (  segid " 1SG" and resid 8    and name HG1%)
   (( segid " 1SG" and resid 27   and name HD1 ))
 OR { 1953}
   (  segid " 1SG" and resid 8    and name HG2%)
   (( segid " 1SG" and resid 27   and name HD2 ))
 OR { 1953}
   (  segid " 1SG" and resid 8    and name HG2%)
   (( segid " 1SG" and resid 27   and name HD1 ))
 ASSI { 1956}
   (( segid " 1SG" and resid 83   and name HA  ))
   (( segid " 1SG" and resid 83   and name HB2 ))
      2.900     1.100     1.100 peak  1956 spectrum    1 weight  0.10000E+01 volume  0.14157E-02 ppm1      4.609 ppm2      3.190 CV     1
 ASSI { 1958}
   (( segid " 1SG" and resid 40   and name HA  ))
   (( segid " 1SG" and resid 40   and name HG2 ))
      3.400     1.400     1.400 peak  1958 spectrum    1 weight  0.10000E+01 volume  0.14115E-02 ppm1      4.545 ppm2      1.245 CV     1
 OR { 1958}
   (( segid " 1SG" and resid 40   and name HA  ))
   (( segid " 1SG" and resid 40   and name HG1 ))
 ASSI { 1965}
   (( segid " 1SG" and resid 83   and name HA  ))
   (( segid " 1SG" and resid 44   and name HA2 ))
      3.200     3.200     2.800 peak  1965 spectrum    1 weight  0.10000E+01 volume  0.14075E-02 ppm1      4.568 ppm2      3.808 CV     1
 ASSI { 1969}
   (( segid " 1SG" and resid 12   and name HB2 ))
   (  segid " 1SG" and resid 22   and name HD1%)
      3.000     3.000     3.000 peak  1969 spectrum    1 weight  0.10000E+01 volume  0.14029E-02 ppm1      1.944 ppm2      0.544 CV     1
 ASSI { 1970}
   (  segid " 1SG" and resid 91   and name HG2%)
   (( segid " 1SG" and resid 38   and name HA  ))
      3.300     1.400     1.400 peak  1970 spectrum    1 weight  0.10000E+01 volume  0.14011E-02 ppm1      0.115 ppm2      3.907 CV     1
 ASSI { 1977}
   (  segid " 1SG" and resid 38   and name HG2%)
   (( segid " 1SG" and resid 35   and name HD1 ))
      3.000     1.100     1.100 peak  1977 spectrum    1 weight  0.10000E+01 volume  0.13962E-02 ppm1      0.817 ppm2      1.643 CV     1
 OR { 1977}
   (  segid " 1SG" and resid 38   and name HG2%)
   (( segid " 1SG" and resid 35   and name HD2 ))
 OR { 1977}
   (  segid " 1SG" and resid 38   and name HG1%)
   (( segid " 1SG" and resid 35   and name HD1 ))
 OR { 1977}
   (  segid " 1SG" and resid 38   and name HG1%)
   (( segid " 1SG" and resid 35   and name HD2 ))
 ASSI { 1987}
   (( segid " 1SG" and resid 36   and name HD2 ))
   (( segid " 1SG" and resid 35   and name HB2 ))
      2.700     0.900     0.900 peak  1987 spectrum    1 weight  0.10000E+01 volume  0.13835E-02 ppm1      3.509 ppm2      1.780 CV     1
 OR { 1987}
   (( segid " 1SG" and resid 36   and name HD2 ))
   (( segid " 1SG" and resid 35   and name HB1 ))
 ASSI { 1991}
   (  segid " 1SG" and resid 18   and name HG1%)
   (( segid " 1SG" and resid 81   and name HD2 ))
      3.800     1.800     1.800 peak  1991 spectrum    1 weight  0.10000E+01 volume  0.13792E-02 ppm1      1.013 ppm2      3.582 CV     1
 ASSI { 1993}
   (( segid " 1SG" and resid 71   and name HA  ))
   (( segid " 1SG" and resid 71   and name HB2 ))
      2.600     0.800     0.800 peak  1993 spectrum    1 weight  0.10000E+01 volume  0.13772E-02 ppm1      5.070 ppm2      1.269 CV     1
 ASSI { 1994}
   (( segid " 1SG" and resid 103  and name HA  ))
   (( segid " 1SG" and resid 86   and name HA2 ))
      2.700     0.900     0.900 peak  1994 spectrum    1 weight  0.10000E+01 volume  0.13768E-02 ppm1      5.554 ppm2      4.675 CV     1
 ASSI { 1996}
   (( segid " 1SG" and resid 81   and name HD2 ))
   (( segid " 1SG" and resid 80   and name HG2 ))
      2.700     0.900     0.900 peak  1996 spectrum    1 weight  0.10000E+01 volume  0.13756E-02 ppm1      3.576 ppm2      2.181 CV     1
 OR { 1996}
   (( segid " 1SG" and resid 81   and name HD2 ))
   (( segid " 1SG" and resid 80   and name HG1 ))
 ASSI { 2006}
   (( segid " 1SG" and resid 22   and name HA  ))
   (  segid " 1SG" and resid 22   and name HD1%)
      2.800     1.000     1.000 peak  2006 spectrum    1 weight  0.10000E+01 volume  0.13645E-02 ppm1      4.352 ppm2      0.547 CV     1
 ASSI { 2016}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 22   and name HA  ))
      3.200     1.300     1.300 peak  2016 spectrum    1 weight  0.10000E+01 volume  0.13582E-02 ppm1      0.604 ppm2      4.356 CV     1
 ASSI { 2017}
   (( segid " 1SG" and resid 90   and name HA  ))
   (( segid " 1SG" and resid 99   and name HA  ))
      2.800     1.000     1.000 peak  2017 spectrum    1 weight  0.10000E+01 volume  0.13578E-02 ppm1      4.768 ppm2      5.709 CV     1
 ASSI { 2018}
   (( segid " 1SG" and resid 68   and name HE2 ))
   (( segid " 1SG" and resid 37   and name HG2 ))
      2.500     2.500     3.500 peak  2018 spectrum    1 weight  0.10000E+01 volume  0.13566E-02 ppm1      3.019 ppm2      1.361 CV     1
 OR { 2018}
   (( segid " 1SG" and resid 68   and name HE1 ))
   (( segid " 1SG" and resid 37   and name HG2 ))
 OR { 2018}
   (( segid " 1SG" and resid 68   and name HE2 ))
   (( segid " 1SG" and resid 37   and name HB2 ))
 OR { 2018}
   (( segid " 1SG" and resid 68   and name HE1 ))
   (( segid " 1SG" and resid 37   and name HB2 ))
 ASSI { 2024}
   (  segid " 1SG" and resid 49   and name HD2%)
   (  segid " 1SG" and resid 87   and name HD% )
      2.800     1.000     1.000 peak  2024 spectrum    1 weight  0.10000E+01 volume  0.13501E-02 ppm1      1.029 ppm2      6.809 CV     1
 ASSI { 2025}
   (( segid " 1SG" and resid 4    and name HA  ))
   (( segid " 1SG" and resid 4    and name HG12))
      3.800     1.800     1.800 peak  2025 spectrum    1 weight  0.10000E+01 volume  0.13495E-02 ppm1      4.024 ppm2      1.245 CV     1
 ASSI { 2029}
   (( segid " 1SG" and resid 56   and name HA  ))
   (  segid " 1SG" and resid 77   and name HG2%)
      3.200     1.300     1.300 peak  2029 spectrum    1 weight  0.10000E+01 volume  0.13485E-02 ppm1      4.981 ppm2      1.049 CV     1
 ASSI { 2030}
   (  segid " 1SG" and resid 104  and name HD1%)
   (( segid " 1SG" and resid 15   and name HA  ))
      3.000     1.100     1.100 peak  2030 spectrum    1 weight  0.10000E+01 volume  0.13482E-02 ppm1      0.983 ppm2      5.499 CV     1
 ASSI { 2047}
   (( segid " 1SG" and resid 40   and name HB2 ))
   (( segid " 1SG" and resid 40   and name HD1 ))
      2.800     1.000     1.000 peak  2047 spectrum    1 weight  0.10000E+01 volume  0.13334E-02 ppm1      1.370 ppm2      1.689 CV     1
 OR { 2047}
   (( segid " 1SG" and resid 40   and name HB2 ))
   (( segid " 1SG" and resid 40   and name HD2 ))
 ASSI { 2066}
   (( segid " 1SG" and resid 10   and name HB2 ))
   (  segid " 1SG" and resid 26   and name HB% )
      3.400     3.400     2.600 peak  2066 spectrum    1 weight  0.10000E+01 volume  0.13149E-02 ppm1      1.238 ppm2      1.481 CV     1
 ASSI { 2073}
   (  segid " 1SG" and resid 76   and name HD1%)
   (  segid " 1SG" and resid 24   and name HE% )
      2.800     1.000     1.000 peak  2073 spectrum    1 weight  0.10000E+01 volume  0.13083E-02 ppm1      0.676 ppm2      7.166 CV     1
 ASSI { 2078}
   (  segid " 1SG" and resid 69   and name HG1%)
   (( segid " 1SG" and resid 27   and name HA  ))
      3.100     1.200     1.200 peak  2078 spectrum    1 weight  0.10000E+01 volume  0.13043E-02 ppm1      0.856 ppm2      5.839 CV     1
 ASSI { 2079}
   (  segid " 1SG" and resid 77   and name HG2%)
   (( segid " 1SG" and resid 21   and name HB2 ))
      3.000     1.100     1.100 peak  2079 spectrum    1 weight  0.10000E+01 volume  0.13034E-02 ppm1      1.049 ppm2      3.757 CV     1
 ASSI { 2082}
   (( segid " 1SG" and resid 21   and name HA  ))
   (( segid " 1SG" and resid 20   and name HN  ))
      3.100     3.100     2.900 peak  2082 spectrum    1 weight  0.10000E+01 volume  0.13020E-02 ppm1      5.517 ppm2      8.843 CV     1
 ASSI { 2087}
   (( segid " 1SG" and resid 58   and name HG2 ))
   (( segid " 1SG" and resid 75   and name HB2 ))
      3.200     1.300     1.300 peak  2087 spectrum    1 weight  0.10000E+01 volume  0.12962E-02 ppm1      1.816 ppm2      2.887 CV     1
 OR { 2087}
   (( segid " 1SG" and resid 58   and name HG2 ))
   (( segid " 1SG" and resid 75   and name HB1 ))
 ASSI { 2091}
   (( segid " 1SG" and resid 38   and name HA  ))
   (( segid " 1SG" and resid 38   and name HB  ))
      3.000     1.100     1.100 peak  2091 spectrum    1 weight  0.10000E+01 volume  0.12942E-02 ppm1      3.896 ppm2      1.900 CV     1
 ASSI { 2110}
   (( segid " 1SG" and resid 37   and name HD2 ))
   (( segid " 1SG" and resid 37   and name HG2 ))
      2.800     0.900     0.900 peak  2110 spectrum    1 weight  0.10000E+01 volume  0.12813E-02 ppm1      2.368 ppm2      1.373 CV     1
 OR { 2110}
   (( segid " 1SG" and resid 37   and name HD2 ))
   (( segid " 1SG" and resid 37   and name HB2 ))
 ASSI { 2121}
   (( segid " 1SG" and resid 76   and name HA  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      3.000     1.100     1.100 peak  2121 spectrum    1 weight  0.10000E+01 volume  0.12741E-02 ppm1      5.017 ppm2      1.434 CV     1
 ASSI { 2125}
   (( segid " 1SG" and resid 73   and name HB2 ))
   (  segid " 1SG" and resid 23   and name HG2%)
      3.100     1.200     1.200 peak  2125 spectrum    1 weight  0.10000E+01 volume  0.12709E-02 ppm1      1.540 ppm2      0.786 CV     1
 ASSI { 2158}
   (( segid " 1SG" and resid 22   and name HA  ))
   (( segid " 1SG" and resid 22   and name HG12))
      3.500     1.500     1.500 peak  2158 spectrum    1 weight  0.10000E+01 volume  0.12519E-02 ppm1      4.352 ppm2      0.101 CV     1
 ASSI { 2171}
   (( segid " 1SG" and resid 83   and name HA  ))
   (  segid " 1SG" and resid 83   and name HD% )
      2.700     0.900     0.900 peak  2171 spectrum    1 weight  0.10000E+01 volume  0.12436E-02 ppm1      4.623 ppm2      7.128 CV     1
 ASSI { 2173}
   (( segid " 1SG" and resid 48   and name HA  ))
   (( segid " 1SG" and resid 42   and name HA  ))
      2.900     1.100     1.100 peak  2173 spectrum    1 weight  0.10000E+01 volume  0.12408E-02 ppm1      4.223 ppm2      5.804 CV     1
 ASSI { 2179}
   (( segid " 1SG" and resid 102  and name HB2 ))
   (( segid " 1SG" and resid 100  and name HB2 ))
      3.600     3.600     2.400 peak  2179 spectrum    1 weight  0.10000E+01 volume  0.12382E-02 ppm1      2.746 ppm2      2.972 CV     1
 ASSI { 2183}
   (( segid " 1SG" and resid 77   and name HA  ))
   (( segid " 1SG" and resid 21   and name HB2 ))
      3.300     1.400     1.400 peak  2183 spectrum    1 weight  0.10000E+01 volume  0.12354E-02 ppm1      4.660 ppm2      3.760 CV     1
 ASSI { 2186}
   (( segid " 1SG" and resid 80   and name HG2 ))
   (( segid " 1SG" and resid 106  and name HB  ))
      3.300     3.300     2.700 peak  2186 spectrum    1 weight  0.10000E+01 volume  0.12339E-02 ppm1      2.159 ppm2      1.868 CV     1
 OR { 2186}
   (( segid " 1SG" and resid 80   and name HG1 ))
   (( segid " 1SG" and resid 106  and name HB  ))
 ASSI { 2192}
   (  segid " 1SG" and resid 76   and name HG2%)
   (  segid " 1SG" and resid 83   and name HD% )
      3.000     1.100     1.100 peak  2192 spectrum    1 weight  0.10000E+01 volume  0.12281E-02 ppm1      0.821 ppm2      7.134 CV     1
 ASSI { 2197}
   (( segid " 1SG" and resid 27   and name HD1 ))
   (( segid " 1SG" and resid 9    and name HB2 ))
      2.800     1.000     1.000 peak  2197 spectrum    1 weight  0.10000E+01 volume  0.12254E-02 ppm1      3.125 ppm2      1.911 CV     1
 OR { 2197}
   (( segid " 1SG" and resid 27   and name HD2 ))
   (( segid " 1SG" and resid 9    and name HB2 ))
 ASSI { 2202}
   (  segid " 1SG" and resid 39   and name HG1%)
   (  segid " 1SG" and resid 91   and name HG2%)
      3.600     1.600     1.600 peak  2202 spectrum    1 weight  0.10000E+01 volume  0.12232E-02 ppm1     -0.058 ppm2      0.160 CV     1
 ASSI { 2207}
   (( segid " 1SG" and resid 65   and name HA  ))
   (( segid " 1SG" and resid 68   and name HA  ))
      3.000     1.100     1.100 peak  2207 spectrum    1 weight  0.10000E+01 volume  0.12187E-02 ppm1      3.454 ppm2      3.592 CV     1
 ASSI { 2222}
   (( segid " 1SG" and resid 48   and name HA  ))
   (( segid " 1SG" and resid 48   and name HB2 ))
      3.000     1.100     1.100 peak  2222 spectrum    1 weight  0.10000E+01 volume  0.12069E-02 ppm1      4.212 ppm2      2.933 CV     1
 ASSI { 2227}
   (( segid " 1SG" and resid 104  and name HA  ))
   (( segid " 1SG" and resid 104  and name HG  ))
      3.000     1.100     1.100 peak  2227 spectrum    1 weight  0.10000E+01 volume  0.12031E-02 ppm1      5.435 ppm2      1.354 CV     1
 ASSI { 2232}
   (  segid " 1SG" and resid 22   and name HD1%)
   (( segid " 1SG" and resid 22   and name HA  ))
      2.900     1.100     1.100 peak  2232 spectrum    1 weight  0.10000E+01 volume  0.11994E-02 ppm1      0.551 ppm2      4.359 CV     1
 OR { 2232}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 22   and name HA  ))
 ASSI { 2236}
   (  segid " 1SG" and resid 16   and name HG1%)
   (( segid " 1SG" and resid 22   and name HG12))
      3.400     1.500     1.500 peak  2236 spectrum    1 weight  0.10000E+01 volume  0.11970E-02 ppm1      0.978 ppm2      0.115 CV     1
 ASSI { 2241}
   (( segid " 1SG" and resid 27   and name HD1 ))
   (( segid " 1SG" and resid 9    and name HG2 ))
      3.100     1.200     1.200 peak  2241 spectrum    1 weight  0.10000E+01 volume  0.11953E-02 ppm1      3.123 ppm2      2.513 CV     1
 OR { 2241}
   (( segid " 1SG" and resid 27   and name HD2 ))
   (( segid " 1SG" and resid 9    and name HG2 ))
 ASSI { 2243}
   (( segid " 1SG" and resid 28   and name HB  ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      2.800     1.000     1.000 peak  2243 spectrum    1 weight  0.10000E+01 volume  0.11943E-02 ppm1      1.975 ppm2      2.823 CV     1
 ASSI { 2255}
   (  segid " 1SG" and resid 77   and name HG2%)
   (( segid " 1SG" and resid 75   and name HB1 ))
      2.800     1.000     1.000 peak  2255 spectrum    1 weight  0.10000E+01 volume  0.11891E-02 ppm1      1.046 ppm2      2.909 CV     1
 ASSI { 2258}
   (( segid " 1SG" and resid 6    and name HB2 ))
   (  segid " 1SG" and resid 6    and name HD1%)
      2.800     1.000     1.000 peak  2258 spectrum    1 weight  0.10000E+01 volume  0.11878E-02 ppm1      0.963 ppm2      0.668 CV     1
 ASSI { 2267}
   (( segid " 1SG" and resid 49   and name HA  ))
   (( segid " 1SG" and resid 52   and name HG2 ))
      3.600     1.700     1.700 peak  2267 spectrum    1 weight  0.10000E+01 volume  0.11829E-02 ppm1      3.862 ppm2      1.350 CV     1
 OR { 2267}
   (( segid " 1SG" and resid 49   and name HA  ))
   (( segid " 1SG" and resid 52   and name HG1 ))
 ASSI { 2271}
   (( segid " 1SG" and resid 76   and name HB  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      3.600     1.600     1.600 peak  2271 spectrum    1 weight  0.10000E+01 volume  0.11798E-02 ppm1      1.936 ppm2      1.428 CV     1
 ASSI { 2279}
   (( segid " 1SG" and resid 88   and name HA  ))
   (( segid " 1SG" and resid 99   and name HB2 ))
      3.300     3.300     2.700 peak  2279 spectrum    1 weight  0.10000E+01 volume  0.11731E-02 ppm1      5.350 ppm2      2.743 CV     1
 ASSI { 2289}
   (  segid " 1SG" and resid 28   and name HG2%)
   (( segid " 1SG" and resid 37   and name HB2 ))
      3.200     1.300     1.300 peak  2289 spectrum    1 weight  0.10000E+01 volume  0.11669E-02 ppm1      0.647 ppm2      1.378 CV     1
 OR { 2289}
   (  segid " 1SG" and resid 28   and name HG2%)
   (( segid " 1SG" and resid 37   and name HG2 ))
 ASSI { 2293}
   (( segid " 1SG" and resid 31   and name HA  ))
   (( segid " 1SG" and resid 68   and name HG2 ))
      3.300     1.400     1.400 peak  2293 spectrum    1 weight  0.10000E+01 volume  0.11646E-02 ppm1      4.171 ppm2      1.264 CV     1
 OR { 2293}
   (( segid " 1SG" and resid 31   and name HA  ))
   (( segid " 1SG" and resid 68   and name HG1 ))
 ASSI { 2296}
   (  segid " 1SG" and resid 59   and name HD2%)
   (( segid " 1SG" and resid 41   and name HD1 ))
      3.100     1.200     1.200 peak  2296 spectrum    1 weight  0.10000E+01 volume  0.11620E-02 ppm1      0.713 ppm2      7.136 CV     1
 ASSI { 2297}
   (( segid " 1SG" and resid 33   and name HB2 ))
   (( segid " 1SG" and resid 93   and name HA  ))
      3.400     3.400     2.600 peak  2297 spectrum    1 weight  0.10000E+01 volume  0.11614E-02 ppm1      1.752 ppm2      4.754 CV     1
 ASSI { 2301}
   (( segid " 1SG" and resid 91   and name HB  ))
   (  segid " 1SG" and resid 39   and name HG2%)
      2.900     1.000     1.000 peak  2301 spectrum    1 weight  0.10000E+01 volume  0.11590E-02 ppm1      1.137 ppm2     -0.446 CV     1
 ASSI { 2305}
   (( segid " 1SG" and resid 6    and name HG  ))
   (( segid " 1SG" and resid 96   and name HB2 ))
      3.800     1.800     1.800 peak  2305 spectrum    1 weight  0.10000E+01 volume  0.11562E-02 ppm1      1.340 ppm2      1.586 CV     1
 ASSI { 2310}
   (( segid " 1SG" and resid 70   and name HA  ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      3.300     1.300     1.300 peak  2310 spectrum    1 weight  0.10000E+01 volume  0.11530E-02 ppm1      4.744 ppm2      2.830 CV     1
 ASSI { 2317}
   (( segid " 1SG" and resid 93   and name HB  ))
   (  segid " 1SG" and resid 33   and name HD1%)
      3.400     1.400     1.400 peak  2317 spectrum    1 weight  0.10000E+01 volume  0.11502E-02 ppm1      4.559 ppm2      0.871 CV     1
 OR { 2317}
   (( segid " 1SG" and resid 93   and name HB  ))
   (  segid " 1SG" and resid 33   and name HD2%)
 ASSI { 2322}
   (( segid " 1SG" and resid 52   and name HD1 ))
   (  segid " 1SG" and resid 47   and name HG2%)
      3.300     1.400     1.400 peak  2322 spectrum    1 weight  0.10000E+01 volume  0.11478E-02 ppm1      1.614 ppm2      0.759 CV     1
 OR { 2322}
   (( segid " 1SG" and resid 52   and name HD2 ))
   (  segid " 1SG" and resid 47   and name HG2%)
 ASSI { 2331}
   (  segid " 1SG" and resid 106  and name HG1%)
   (( segid " 1SG" and resid 81   and name HA  ))
      2.800     1.000     1.000 peak  2331 spectrum    1 weight  0.10000E+01 volume  0.11438E-02 ppm1      0.693 ppm2      4.008 CV     1
 ASSI { 2335}
   (( segid " 1SG" and resid 39   and name HA  ))
   (( segid " 1SG" and resid 39   and name HB  ))
      3.000     1.100     1.100 peak  2335 spectrum    1 weight  0.10000E+01 volume  0.11394E-02 ppm1      4.804 ppm2      0.587 CV     1
 ASSI { 2340}
   (( segid " 1SG" and resid 98   and name HA  ))
   (( segid " 1SG" and resid 98   and name HB2 ))
      3.200     1.200     1.200 peak  2340 spectrum    1 weight  0.10000E+01 volume  0.11374E-02 ppm1      4.694 ppm2      2.296 CV     1
 ASSI { 2346}
   (( segid " 1SG" and resid 6    and name HB2 ))
   (  segid " 1SG" and resid 6    and name HD2%)
      2.900     1.100     1.100 peak  2346 spectrum    1 weight  0.10000E+01 volume  0.11335E-02 ppm1      0.963 ppm2      0.486 CV     1
 ASSI { 2362}
   (( segid " 1SG" and resid 7    and name HA  ))
   (( segid " 1SG" and resid 7    and name HB2 ))
      3.000     1.100     1.100 peak  2362 spectrum    1 weight  0.10000E+01 volume  0.11270E-02 ppm1      4.637 ppm2      2.585 CV     1
 ASSI { 2363}
   (( segid " 1SG" and resid 36   and name HA  ))
   (( segid " 1SG" and resid 36   and name HG2 ))
      3.700     1.700     1.700 peak  2363 spectrum    1 weight  0.10000E+01 volume  0.11263E-02 ppm1      4.009 ppm2      1.986 CV     1
 ASSI { 2364}
   (( segid " 1SG" and resid 81   and name HD2 ))
   (( segid " 1SG" and resid 80   and name HB1 ))
      3.100     1.200     1.200 peak  2364 spectrum    1 weight  0.10000E+01 volume  0.11261E-02 ppm1      3.586 ppm2      1.952 CV     1
 OR { 2364}
   (( segid " 1SG" and resid 81   and name HD2 ))
   (( segid " 1SG" and resid 80   and name HB2 ))
 ASSI { 2366}
   (  segid " 1SG" and resid 59   and name HD1%)
   (( segid " 1SG" and resid 59   and name HA  ))
      3.700     1.700     1.700 peak  2366 spectrum    1 weight  0.10000E+01 volume  0.11250E-02 ppm1      0.860 ppm2      5.189 CV     1
 ASSI { 2378}
   (( segid " 1SG" and resid 104  and name HA  ))
   (( segid " 1SG" and resid 104  and name HB2 ))
      2.700     0.900     0.900 peak  2378 spectrum    1 weight  0.10000E+01 volume  0.11148E-02 ppm1      5.436 ppm2      1.226 CV     1
 ASSI { 2379}
   (( segid " 1SG" and resid 13   and name HB2 ))
   (( segid " 1SG" and resid 12   and name HB2 ))
      3.400     3.400     2.600 peak  2379 spectrum    1 weight  0.10000E+01 volume  0.11140E-02 ppm1      2.629 ppm2      1.972 CV     1
 ASSI { 2382}
   (  segid " 1SG" and resid 76   and name HD1%)
   (( segid " 1SG" and resid 76   and name HA  ))
      3.600     1.600     1.600 peak  2382 spectrum    1 weight  0.10000E+01 volume  0.11120E-02 ppm1      0.679 ppm2      5.010 CV     1
 ASSI { 2392}
   (( segid " 1SG" and resid 43   and name HA  ))
   (( segid " 1SG" and resid 43   and name HB2 ))
      2.700     0.900     0.900 peak  2392 spectrum    1 weight  0.10000E+01 volume  0.11069E-02 ppm1      4.138 ppm2      1.232 CV     1
 ASSI { 2397}
   (( segid " 1SG" and resid 6    and name HA  ))
   (  segid " 1SG" and resid 29   and name HB% )
      2.900     1.100     1.100 peak  2397 spectrum    1 weight  0.10000E+01 volume  0.11054E-02 ppm1      4.459 ppm2      1.524 CV     1
 ASSI { 2402}
   (( segid " 1SG" and resid 101  and name HA  ))
   (( segid " 1SG" and resid 101  and name HB2 ))
      3.000     1.200     1.200 peak  2402 spectrum    1 weight  0.10000E+01 volume  0.11006E-02 ppm1      5.518 ppm2      2.697 CV     1
 ASSI { 2404}
   (  segid " 1SG" and resid 106  and name HG1%)
   (( segid " 1SG" and resid 83   and name HB2 ))
      3.000     1.100     1.100 peak  2404 spectrum    1 weight  0.10000E+01 volume  0.10999E-02 ppm1      0.689 ppm2      3.185 CV     1
 ASSI { 2405}
   (  segid " 1SG" and resid 26   and name HB% )
   (( segid " 1SG" and resid 72   and name HB2 ))
      3.000     1.100     1.100 peak  2405 spectrum    1 weight  0.10000E+01 volume  0.10994E-02 ppm1      1.468 ppm2      2.900 CV     1
 ASSI { 2415}
   (( segid " 1SG" and resid 43   and name HB2 ))
   (( segid " 1SG" and resid 43   and name HD2 ))
      2.800     1.000     1.000 peak  2415 spectrum    1 weight  0.10000E+01 volume  0.10910E-02 ppm1      1.235 ppm2      1.303 CV     1
 OR { 2415}
   (( segid " 1SG" and resid 43   and name HB2 ))
   (( segid " 1SG" and resid 43   and name HD1 ))
 ASSI { 2419}
   (( segid " 1SG" and resid 68   and name HA  ))
   (( segid " 1SG" and resid 68   and name HD2 ))
      3.400     1.500     1.500 peak  2419 spectrum    1 weight  0.10000E+01 volume  0.10897E-02 ppm1      3.611 ppm2      1.688 CV     1
 OR { 2419}
   (( segid " 1SG" and resid 68   and name HA  ))
   (( segid " 1SG" and resid 68   and name HD1 ))
 ASSI { 2422}
   (( segid " 1SG" and resid 77   and name HB  ))
   (( segid " 1SG" and resid 20   and name HA1 ))
      3.700     3.700     2.300 peak  2422 spectrum    1 weight  0.10000E+01 volume  0.10879E-02 ppm1      4.020 ppm2      3.721 CV     1
 ASSI { 2432}
   (( segid " 1SG" and resid 9    and name HB2 ))
   (( segid " 1SG" and resid 27   and name HB2 ))
      3.000     1.200     1.200 peak  2432 spectrum    1 weight  0.10000E+01 volume  0.10815E-02 ppm1      1.915 ppm2      1.587 CV     1
 OR { 2432}
   (( segid " 1SG" and resid 9    and name HB2 ))
   (( segid " 1SG" and resid 27   and name HB1 ))
 ASSI { 2438}
   (( segid " 1SG" and resid 41   and name HB2 ))
   (  segid " 1SG" and resid 49   and name HD2%)
      3.300     1.400     1.400 peak  2438 spectrum    1 weight  0.10000E+01 volume  0.10774E-02 ppm1      3.149 ppm2      1.032 CV     1
 ASSI { 2472}
   (( segid " 1SG" and resid 41   and name HA  ))
   (( segid " 1SG" and resid 41   and name HB2 ))
      3.100     1.200     1.200 peak  2472 spectrum    1 weight  0.10000E+01 volume  0.10549E-02 ppm1      5.478 ppm2      3.157 CV     1
 ASSI { 2478}
   (  segid " 1SG" and resid 49   and name HD2%)
   (( segid " 1SG" and resid 53   and name HN  ))
      3.600     1.600     1.600 peak  2478 spectrum    1 weight  0.10000E+01 volume  0.10478E-02 ppm1      1.042 ppm2      6.757 CV     1
 ASSI { 2484}
   (( segid " 1SG" and resid 103  and name HA  ))
   (( segid " 1SG" and resid 86   and name HA1 ))
      4.000     2.000     2.000 peak  2484 spectrum    1 weight  0.10000E+01 volume  0.10460E-02 ppm1      5.555 ppm2      3.498 CV     1
 ASSI { 2491}
   (( segid " 1SG" and resid 76   and name HA  ))
   (( segid " 1SG" and resid 76   and name HG12))
      2.700     0.900     0.900 peak  2491 spectrum    1 weight  0.10000E+01 volume  0.10422E-02 ppm1      5.014 ppm2      1.107 CV     1
 ASSI { 2498}
   (( segid " 1SG" and resid 69   and name HA  ))
   (( segid " 1SG" and resid 69   and name HB  ))
      3.000     1.200     1.200 peak  2498 spectrum    1 weight  0.10000E+01 volume  0.10358E-02 ppm1      4.599 ppm2      1.771 CV     1
 ASSI { 2500}
   (( segid " 1SG" and resid 3    and name HD2 ))
   (( segid " 1SG" and resid 3    and name HB2 ))
      3.500     1.500     1.500 peak  2500 spectrum    1 weight  0.10000E+01 volume  0.10330E-02 ppm1      3.865 ppm2      2.293 CV     1
 OR { 2500}
   (( segid " 1SG" and resid 3    and name HD1 ))
   (( segid " 1SG" and resid 3    and name HB1 ))
 OR { 2500}
   (( segid " 1SG" and resid 3    and name HD2 ))
   (( segid " 1SG" and resid 3    and name HB1 ))
 OR { 2500}
   (( segid " 1SG" and resid 3    and name HD1 ))
   (( segid " 1SG" and resid 3    and name HB2 ))
 ASSI { 2501}
   (( segid " 1SG" and resid 42   and name HA  ))
   (  segid " 1SG" and resid 49   and name HD1%)
      2.900     1.100     1.100 peak  2501 spectrum    1 weight  0.10000E+01 volume  0.10328E-02 ppm1      5.813 ppm2      1.783 CV     1
 ASSI { 2511}
   (( segid " 1SG" and resid 16   and name HB  ))
   (( segid " 1SG" and resid 22   and name HB  ))
      3.400     1.400     1.400 peak  2511 spectrum    1 weight  0.10000E+01 volume  0.10214E-02 ppm1      1.814 ppm2      1.533 CV     1
 ASSI { 2523}
   (  segid " 1SG" and resid 53   and name HG2%)
   (( segid " 1SG" and resid 43   and name HB2 ))
      3.900     1.900     1.900 peak  2523 spectrum    1 weight  0.10000E+01 volume  0.10168E-02 ppm1      1.111 ppm2      1.209 CV     1
 OR { 2523}
   (  segid " 1SG" and resid 53   and name HG1%)
   (( segid " 1SG" and resid 43   and name HB2 ))
 ASSI { 2528}
   (( segid " 1SG" and resid 6    and name HA  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.700     1.700     1.700 peak  2528 spectrum    1 weight  0.10000E+01 volume  0.10138E-02 ppm1      4.452 ppm2      0.493 CV     1
 ASSI { 2549}
   (  segid " 1SG" and resid 39   and name HG2%)
   (( segid " 1SG" and resid 37   and name HB2 ))
      2.900     1.100     1.100 peak  2549 spectrum    1 weight  0.10000E+01 volume  0.10003E-02 ppm1     -0.453 ppm2      1.391 CV     1
 ASSI { 2550}
   (( segid " 1SG" and resid 85   and name HA2 ))
   (( segid " 1SG" and resid 44   and name HA2 ))
      3.200     1.300     1.300 peak  2550 spectrum    1 weight  0.10000E+01 volume  0.10002E-02 ppm1      4.537 ppm2      3.813 CV     1
 ASSI { 2580}
   (  segid " 1SG" and resid 59   and name HD1%)
   (( segid " 1SG" and resid 41   and name HD1 ))
      3.000     1.100     1.100 peak  2580 spectrum    1 weight  0.10000E+01 volume  0.97766E-03 ppm1      0.866 ppm2      7.141 CV     1
 ASSI { 2591}
   (( segid " 1SG" and resid 43   and name HA  ))
   (( segid " 1SG" and resid 43   and name HG2 ))
      3.300     1.400     1.400 peak  2591 spectrum    1 weight  0.10000E+01 volume  0.96981E-03 ppm1      4.134 ppm2      0.081 CV     1
 ASSI { 2595}
   (( segid " 1SG" and resid 108  and name HA  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      4.000     2.000     2.000 peak  2595 spectrum    1 weight  0.10000E+01 volume  0.96831E-03 ppm1      4.150 ppm2      0.398 CV     1
 ASSI { 2607}
   (  segid " 1SG" and resid 104  and name HD2%)
   (( segid " 1SG" and resid 104  and name HA  ))
      3.900     1.900     1.900 peak  2607 spectrum    1 weight  0.10000E+01 volume  0.95879E-03 ppm1      0.833 ppm2      5.446 CV     1
 ASSI {   29}
   (  segid " 1SG" and resid 97   and name HD% )
   (  segid " 1SG" and resid 97   and name HE% )
      2.100     0.600     0.600 peak    29 spectrum    1 weight  0.10000E+01 volume  0.76572E-02 ppm1      7.085 ppm2      7.264 CV     1
 ASSI {   35}
   (  segid " 1SG" and resid 42   and name HE% )
   (( segid " 1SG" and resid 42   and name HZ  ))
      2.200     0.600     0.600 peak    35 spectrum    1 weight  0.10000E+01 volume  0.65966E-02 ppm1      7.079 ppm2      7.178 CV     1
 ASSI {   46}
   (  segid " 1SG" and resid 70   and name HD% )
   (( segid " 1SG" and resid 70   and name HB2 ))
      2.100     0.600     0.600 peak    46 spectrum    1 weight  0.10000E+01 volume  0.69578E-02 ppm1      7.029 ppm2      2.797 CV     1
 ASSI {   51}
   (  segid " 1SG" and resid 87   and name HD% )
   (  segid " 1SG" and resid 76   and name HD1%)
      2.200     2.200     3.800 peak    51 spectrum    1 weight  0.10000E+01 volume  0.69578E-02 ppm1      6.766 ppm2      0.633 CV     1
 ASSI {   53}
   (  segid " 1SG" and resid 42   and name HD% )
   (  segid " 1SG" and resid 42   and name HE% )
      2.400     0.700     0.700 peak    53 spectrum    1 weight  0.10000E+01 volume  0.34173E-02 ppm1      6.664 ppm2      7.098 CV     1
 ASSI {   62}
   (  segid " 1SG" and resid 87   and name HE% )
   (  segid " 1SG" and resid 104  and name HD1%)
      2.500     2.500     3.500 peak    62 spectrum    1 weight  0.10000E+01 volume  0.69578E-02 ppm1      6.552 ppm2      0.945 CV     1
 ASSI {   63}
   (  segid " 1SG" and resid 87   and name HE% )
   (( segid " 1SG" and resid 57   and name HG  ))
      2.100     2.100     3.900 peak    63 spectrum    1 weight  0.10000E+01 volume  0.69578E-02 ppm1      6.553 ppm2      0.751 CV     1
 ASSI {   66}
   (  segid " 1SG" and resid 83   and name HE% )
   (( segid " 1SG" and resid 46   and name HZ2 ))
      2.100     2.100     3.900 peak    66 spectrum    1 weight  0.10000E+01 volume  0.25166E-02 ppm1      7.259 ppm2      7.400 CV     1
 ASSI {   77}
   (  segid " 1SG" and resid 63   and name HE% )
   (  segid " 1SG" and resid 63   and name HD% )
      2.700     0.900     0.900 peak    77 spectrum    1 weight  0.10000E+01 volume  0.19400E-02 ppm1      6.071 ppm2      5.874 CV     1
 ASSI {   85}
   (  segid " 1SG" and resid 42   and name HE% )
   (( segid " 1SG" and resid 46   and name HD1 ))
      3.200     3.200     2.800 peak    85 spectrum    1 weight  0.10000E+01 volume  0.16737E-02 ppm1      7.117 ppm2      7.129 CV     1
 ASSI {   87}
   (( segid " 1SG" and resid 46   and name HH2 ))
   (( segid " 1SG" and resid 46   and name HZ2 ))
      2.800     1.000     1.000 peak    87 spectrum    1 weight  0.10000E+01 volume  0.16389E-02 ppm1      7.111 ppm2      7.374 CV     1
 ASSI {   97}
   (  segid " 1SG" and resid 70   and name HE% )
   (  segid " 1SG" and resid 70   and name HD% )
      2.800     1.000     1.000 peak    97 spectrum    1 weight  0.10000E+01 volume  0.13870E-02 ppm1      6.595 ppm2      7.034 CV     1
 ASSI {  102}
   (  segid " 1SG" and resid 87   and name HE% )
   (  segid " 1SG" and resid 102  and name HD% )
      3.000     3.000     3.000 peak   102 spectrum    1 weight  0.10000E+01 volume  0.13394E-02 ppm1      6.552 ppm2      6.764 CV     1
 ASSI {  104}
   (( segid " 1SG" and resid 46   and name HD1 ))
   (( segid " 1SG" and resid 46   and name HB2 ))
      2.100     2.100     3.900 peak   104 spectrum    1 weight  0.10000E+01 volume  0.69578E-02 ppm1      7.109 ppm2      3.051 CV     1
 ASSI {  109}
   (  segid " 1SG" and resid 87   and name HD% )
   (  segid " 1SG" and resid 87   and name HE% )
      2.600     0.900     0.900 peak   109 spectrum    1 weight  0.10000E+01 volume  0.12410E-02 ppm1      6.767 ppm2      6.573 CV     1
 ASSI {  120}
   (  segid " 1SG" and resid 102  and name HD% )
   (  segid " 1SG" and resid 102  and name HE% )
      2.100     0.500     0.500 peak   120 spectrum    1 weight  0.10000E+01 volume  0.69578E-02 ppm1      6.778 ppm2      7.092 CV     1
 ASSI {  125}
   (( segid " 1SG" and resid 56   and name HE1 ))
   (( segid " 1SG" and resid 57   and name HG  ))
      3.200     1.300     1.300 peak   125 spectrum    1 weight  0.10000E+01 volume  0.10513E-02 ppm1      7.630 ppm2      0.738 CV     1
 ASSI {  168}
   (  segid " 1SG" and resid 83   and name HD% )
   (( segid " 1SG" and resid 80   and name HN  ))
      2.100     0.500     0.500 peak   168 spectrum    1 weight  0.10000E+01 volume  0.69578E-02 ppm1      7.090 ppm2      5.565 CV     1
 ASSI {  180}
   (( segid " 1SG" and resid 75   and name HE1 ))
   (( segid " 1SG" and resid 75   and name HB2 ))
      1.800     1.800     4.200 peak   180 spectrum    1 weight  0.10000E+01 volume  0.68372E-02 ppm1      8.255 ppm2      2.876 CV     1
 OR {  180}
   (( segid " 1SG" and resid 75   and name HE1 ))
   (( segid " 1SG" and resid 75   and name HB1 ))
 ASSI {  185}
   (  segid " 1SG" and resid 70   and name HE% )
   (( segid " 1SG" and resid 28   and name HB  ))
      1.800     1.800     4.200 peak   185 spectrum    1 weight  0.10000E+01 volume  0.68372E-02 ppm1      6.589 ppm2      1.945 CV     1
 ASSI {  187}
   (  segid " 1SG" and resid 24   and name HD% )
   (  segid " 1SG" and resid 24   and name HE% )
      2.100     0.500     0.500 peak   187 spectrum    1 weight  0.10000E+01 volume  0.68372E-02 ppm1      6.951 ppm2      7.189 CV     1
 ASSI {  189}
   (  segid " 1SG" and resid 83   and name HE% )
   (( segid " 1SG" and resid 57   and name HG  ))
      1.800     1.800     4.200 peak   189 spectrum    1 weight  0.10000E+01 volume  0.68372E-02 ppm1      7.258 ppm2      0.724 CV     1
 ASSI {  190}
   (  segid " 1SG" and resid 83   and name HD% )
   (  segid " 1SG" and resid 83   and name HE% )
      2.100     0.500     0.500 peak   190 spectrum    1 weight  0.10000E+01 volume  0.68655E-02 ppm1      7.090 ppm2      7.269 CV     1
 ASSI {  192}
   (  segid " 1SG" and resid 63   and name HE% )
   (( segid " 1SG" and resid 65   and name HG1 ))
      2.200     0.600     0.600 peak   192 spectrum    1 weight  0.10000E+01 volume  0.68655E-02 ppm1      6.071 ppm2      1.670 CV     1
 OR {  192}
   (  segid " 1SG" and resid 63   and name HE% )
   (( segid " 1SG" and resid 65   and name HG2 ))
 ASSI {  195}
   (( segid " 1SG" and resid 41   and name HZ2 ))
   (( segid " 1SG" and resid 41   and name HH2 ))
      2.100     0.500     0.500 peak   195 spectrum    1 weight  0.10000E+01 volume  0.68655E-02 ppm1      7.080 ppm2      6.606 CV     1
 ASSI {    8}
   (( segid " 1SG" and resid 12   and name HE21))
   (( segid " 1SG" and resid 12   and name HE22))
      1.500     0.300     0.700 peak     8 spectrum    1 weight  0.10000E+01 volume  0.60301E-01 ppm1      7.451 ppm2      6.922 CV     1
 ASSI {   15}
   (( segid " 1SG" and resid 103  and name HD21))
   (( segid " 1SG" and resid 103  and name HD22))
      1.600     0.300     0.600 peak    15 spectrum    1 weight  0.10000E+01 volume  0.32029E-01 ppm1      7.722 ppm2      6.746 CV     1
 ASSI {   22}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 58   and name HE22))
      1.600     0.300     0.600 peak    22 spectrum    1 weight  0.10000E+01 volume  0.25238E-01 ppm1      7.438 ppm2      6.684 CV     1
 ASSI {   41}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 107  and name HA  ))
      2.000     0.500     0.500 peak    41 spectrum    1 weight  0.10000E+01 volume  0.18230E-01 ppm1      8.564 ppm2      4.843 CV     1
 ASSI {   45}
   (( segid " 1SG" and resid 80   and name HE22))
   (( segid " 1SG" and resid 80   and name HE21))
      1.800     0.400     0.400 peak    45 spectrum    1 weight  0.10000E+01 volume  0.17587E-01 ppm1      6.645 ppm2      6.985 CV     1
 ASSI {   51}
   (( segid " 1SG" and resid 66   and name HN  ))
   (  segid " 1SG" and resid 66   and name HB% )
      2.200     0.600     0.600 peak    51 spectrum    1 weight  0.10000E+01 volume  0.16301E-01 ppm1      8.106 ppm2      1.408 CV     1
 ASSI {   59}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 46   and name HD1 ))
      2.200     0.600     0.600 peak    59 spectrum    1 weight  0.10000E+01 volume  0.14257E-01 ppm1     10.116 ppm2      7.133 CV     1
 ASSI {   60}
   (( segid " 1SG" and resid 61   and name HN  ))
   (( segid " 1SG" and resid 60   and name HA  ))
      2.200     0.600     0.600 peak    60 spectrum    1 weight  0.10000E+01 volume  0.14004E-01 ppm1      8.180 ppm2      5.068 CV     1
 ASSI {   62}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 38   and name HA  ))
      2.000     0.500     0.500 peak    62 spectrum    1 weight  0.10000E+01 volume  0.13825E-01 ppm1      7.892 ppm2      3.893 CV     1
 ASSI {   64}
   (( segid " 1SG" and resid 17   and name HN  ))
   (( segid " 1SG" and resid 16   and name HA  ))
      2.200     0.600     0.600 peak    64 spectrum    1 weight  0.10000E+01 volume  0.13515E-01 ppm1      7.900 ppm2      4.580 CV     1
 ASSI {   67}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (( segid " 1SG" and resid 41   and name HD1 ))
      2.200     0.600     0.600 peak    67 spectrum    1 weight  0.10000E+01 volume  0.12990E-01 ppm1     10.780 ppm2      7.129 CV     1
 ASSI {   72}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 12   and name HA  ))
      2.200     0.600     0.600 peak    72 spectrum    1 weight  0.10000E+01 volume  0.11870E-01 ppm1      8.312 ppm2      4.679 CV     1
 ASSI {   80}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 95   and name HA  ))
      2.100     2.100     3.900 peak    80 spectrum    1 weight  0.10000E+01 volume  0.11160E-01 ppm1      7.969 ppm2      4.735 CV     1
 ASSI {   81}
   (( segid " 1SG" and resid 53   and name HN  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      2.100     0.500     0.500 peak    81 spectrum    1 weight  0.10000E+01 volume  0.10987E-01 ppm1      6.764 ppm2      1.067 CV     1
 ASSI {   84}
   (( segid " 1SG" and resid 21   and name HN  ))
   (( segid " 1SG" and resid 20   and name HA1 ))
      2.100     0.600     0.600 peak    84 spectrum    1 weight  0.10000E+01 volume  0.10303E-01 ppm1      8.170 ppm2      3.727 CV     1
 ASSI {   85}
   (( segid " 1SG" and resid 79   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      2.300     0.700     0.700 peak    85 spectrum    1 weight  0.10000E+01 volume  0.10261E-01 ppm1      8.974 ppm2      1.174 CV     1
 ASSI {   95}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 53   and name HA  ))
      2.100     0.600     0.600 peak    95 spectrum    1 weight  0.10000E+01 volume  0.93781E-02 ppm1      9.019 ppm2      4.049 CV     1
 ASSI {  102}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 93   and name HA  ))
      2.700     2.700     3.300 peak   102 spectrum    1 weight  0.10000E+01 volume  0.91635E-02 ppm1      7.511 ppm2      4.762 CV     1
 ASSI {  111}
   (( segid " 1SG" and resid 93   and name HN  ))
   (( segid " 1SG" and resid 92   and name HA  ))
      2.300     0.600     0.600 peak   111 spectrum    1 weight  0.10000E+01 volume  0.86725E-02 ppm1      8.557 ppm2      5.243 CV     1
 ASSI {  112}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 58   and name HA  ))
      2.100     0.600     0.600 peak   112 spectrum    1 weight  0.10000E+01 volume  0.86178E-02 ppm1      8.381 ppm2      4.632 CV     1
 ASSI {  114}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 64   and name HA  ))
      2.200     0.600     0.600 peak   114 spectrum    1 weight  0.10000E+01 volume  0.83952E-02 ppm1      8.306 ppm2      4.576 CV     1
 ASSI {  116}
   (( segid " 1SG" and resid 48   and name HN  ))
   (( segid " 1SG" and resid 47   and name HA  ))
      2.300     0.700     0.700 peak   116 spectrum    1 weight  0.10000E+01 volume  0.82568E-02 ppm1      8.397 ppm2      4.057 CV     1
 ASSI {  117}
   (( segid " 1SG" and resid 21   and name HN  ))
   (( segid " 1SG" and resid 20   and name HA2 ))
      3.000     1.100     1.100 peak   117 spectrum    1 weight  0.10000E+01 volume  0.82558E-02 ppm1      8.169 ppm2      4.378 CV     1
 ASSI {  120}
   (( segid " 1SG" and resid 23   and name HN  ))
   (( segid " 1SG" and resid 22   and name HA  ))
      2.200     0.600     0.600 peak   120 spectrum    1 weight  0.10000E+01 volume  0.81901E-02 ppm1      7.914 ppm2      4.342 CV     1
 ASSI {  122}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 59   and name HA  ))
      2.200     0.600     0.600 peak   122 spectrum    1 weight  0.10000E+01 volume  0.81444E-02 ppm1      8.687 ppm2      5.184 CV     1
 ASSI {  123}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 21   and name HA  ))
      2.100     0.600     0.600 peak   123 spectrum    1 weight  0.10000E+01 volume  0.80832E-02 ppm1      8.888 ppm2      5.491 CV     1
 ASSI {  125}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 57   and name HA  ))
      2.000     0.500     0.500 peak   125 spectrum    1 weight  0.10000E+01 volume  0.80321E-02 ppm1      8.940 ppm2      5.399 CV     1
 ASSI {  126}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 61   and name HA  ))
      2.000     0.500     0.500 peak   126 spectrum    1 weight  0.10000E+01 volume  0.80110E-02 ppm1      8.849 ppm2      5.560 CV     1
 ASSI {  128}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 53   and name HB  ))
      2.300     0.700     0.700 peak   128 spectrum    1 weight  0.10000E+01 volume  0.79333E-02 ppm1      6.764 ppm2      2.128 CV     1
 ASSI {  130}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 4    and name HB  ))
      2.100     0.600     0.600 peak   130 spectrum    1 weight  0.10000E+01 volume  0.78320E-02 ppm1      8.264 ppm2      2.024 CV     1
 ASSI {  133}
   (( segid " 1SG" and resid 77   and name HN  ))
   (( segid " 1SG" and resid 76   and name HA  ))
      2.100     0.600     0.600 peak   133 spectrum    1 weight  0.10000E+01 volume  0.76855E-02 ppm1      8.717 ppm2      4.983 CV     1
 ASSI {  135}
   (( segid " 1SG" and resid 85   and name HN  ))
   (( segid " 1SG" and resid 84   and name HA  ))
      2.300     0.700     0.700 peak   135 spectrum    1 weight  0.10000E+01 volume  0.76359E-02 ppm1      9.407 ppm2      4.227 CV     1
 OR {  135}
   (( segid " 1SG" and resid 85   and name HN  ))
   (( segid " 1SG" and resid 84   and name HB  ))
 ASSI {  137}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 66   and name HA  ))
      2.500     0.800     0.800 peak   137 spectrum    1 weight  0.10000E+01 volume  0.76163E-02 ppm1      8.106 ppm2      4.123 CV     1
 ASSI {  140}
   (( segid " 1SG" and resid 29   and name HN  ))
   (  segid " 1SG" and resid 29   and name HB% )
      2.300     0.700     0.700 peak   140 spectrum    1 weight  0.10000E+01 volume  0.73882E-02 ppm1      8.854 ppm2      1.508 CV     1
 ASSI {  142}
   (( segid " 1SG" and resid 47   and name HN  ))
   (  segid " 1SG" and resid 47   and name HG1%)
      2.900     1.000     1.000 peak   142 spectrum    1 weight  0.10000E+01 volume  0.73586E-02 ppm1      7.291 ppm2      0.977 CV     1
 ASSI {  145}
   (( segid " 1SG" and resid 18   and name HN  ))
   (  segid " 1SG" and resid 18   and name HG2%)
      2.300     0.600     0.600 peak   145 spectrum    1 weight  0.10000E+01 volume  0.72929E-02 ppm1      8.005 ppm2      0.939 CV     1
 ASSI {  147}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 96   and name HA  ))
      2.300     0.600     0.600 peak   147 spectrum    1 weight  0.10000E+01 volume  0.72543E-02 ppm1      8.065 ppm2      4.772 CV     1
 ASSI {  148}
   (( segid " 1SG" and resid 12   and name HE21))
   (( segid " 1SG" and resid 12   and name HG2 ))
      2.500     0.800     0.800 peak   148 spectrum    1 weight  0.10000E+01 volume  0.72272E-02 ppm1      7.451 ppm2      2.471 CV     1
 OR {  148}
   (( segid " 1SG" and resid 12   and name HE21))
   (( segid " 1SG" and resid 12   and name HG1 ))
 ASSI {  150}
   (( segid " 1SG" and resid 101  and name HD22))
   (( segid " 1SG" and resid 12   and name HE21))
      2.000     2.000     4.000 peak   150 spectrum    1 weight  0.10000E+01 volume  0.71840E-02 ppm1      6.723 ppm2      7.459 CV     1
 ASSI {  152}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 108  and name HB2 ))
      2.400     0.700     0.700 peak   152 spectrum    1 weight  0.10000E+01 volume  0.71540E-02 ppm1      8.564 ppm2      1.911 CV     1
 ASSI {  155}
   (( segid " 1SG" and resid 19   and name HN  ))
   (( segid " 1SG" and resid 18   and name HA  ))
      2.200     0.600     0.600 peak   155 spectrum    1 weight  0.10000E+01 volume  0.70025E-02 ppm1      9.827 ppm2      3.479 CV     1
 ASSI {  156}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 14   and name HA2 ))
      2.400     0.700     0.700 peak   156 spectrum    1 weight  0.10000E+01 volume  0.69614E-02 ppm1      8.504 ppm2      4.931 CV     1
 ASSI {  159}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 78   and name HA  ))
      2.400     0.700     0.700 peak   159 spectrum    1 weight  0.10000E+01 volume  0.68531E-02 ppm1      8.974 ppm2      4.103 CV     1
 ASSI {  160}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 39   and name HA  ))
      2.100     0.500     0.500 peak   160 spectrum    1 weight  0.10000E+01 volume  0.66906E-02 ppm1      8.694 ppm2      4.799 CV     1
 ASSI {  161}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 37   and name HA  ))
      2.100     0.600     0.600 peak   161 spectrum    1 weight  0.10000E+01 volume  0.66449E-02 ppm1      8.374 ppm2      4.490 CV     1
 ASSI {  164}
   (( segid " 1SG" and resid 29   and name HN  ))
   (( segid " 1SG" and resid 28   and name HA  ))
      2.100     0.600     0.600 peak   164 spectrum    1 weight  0.10000E+01 volume  0.65782E-02 ppm1      8.854 ppm2      4.898 CV     1
 ASSI {  166}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 1    and name HA  ))
      2.200     0.600     0.600 peak   166 spectrum    1 weight  0.10000E+01 volume  0.64764E-02 ppm1      8.116 ppm2      4.614 CV     1
 ASSI {  167}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 24   and name HA  ))
      2.500     0.800     0.800 peak   167 spectrum    1 weight  0.10000E+01 volume  0.64258E-02 ppm1      8.399 ppm2      4.620 CV     1
 ASSI {  169}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 40   and name HA  ))
      2.200     0.600     0.600 peak   169 spectrum    1 weight  0.10000E+01 volume  0.64037E-02 ppm1      9.308 ppm2      4.547 CV     1
 ASSI {  170}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 107  and name HB2 ))
      3.100     1.200     1.200 peak   170 spectrum    1 weight  0.10000E+01 volume  0.63606E-02 ppm1      8.564 ppm2      3.074 CV     1
 OR {  170}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 107  and name HB1 ))
 ASSI {  175}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 23   and name HA  ))
      2.300     0.700     0.700 peak   175 spectrum    1 weight  0.10000E+01 volume  0.62347E-02 ppm1      9.240 ppm2      5.100 CV     1
 ASSI {  176}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 91   and name HA  ))
      2.200     0.600     0.600 peak   176 spectrum    1 weight  0.10000E+01 volume  0.61896E-02 ppm1      8.734 ppm2      4.747 CV     1
 ASSI {  177}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 78   and name HA  ))
      2.400     0.700     0.700 peak   177 spectrum    1 weight  0.10000E+01 volume  0.60837E-02 ppm1      8.053 ppm2      4.102 CV     1
 ASSI {  179}
   (( segid " 1SG" and resid 67   and name HN  ))
   (  segid " 1SG" and resid 66   and name HB% )
      2.700     0.900     0.900 peak   179 spectrum    1 weight  0.10000E+01 volume  0.60747E-02 ppm1      7.421 ppm2      1.408 CV     1
 ASSI {  180}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 3    and name HA  ))
      2.400     0.700     0.700 peak   180 spectrum    1 weight  0.10000E+01 volume  0.60185E-02 ppm1      8.264 ppm2      4.443 CV     1
 ASSI {  181}
   (( segid " 1SG" and resid 101  and name HD21))
   (( segid " 1SG" and resid 101  and name HD22))
      2.100     0.600     0.600 peak   181 spectrum    1 weight  0.10000E+01 volume  0.60020E-02 ppm1      7.438 ppm2      6.719 CV     1
 ASSI {  184}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 108  and name HA  ))
      2.500     0.800     0.800 peak   184 spectrum    1 weight  0.10000E+01 volume  0.58751E-02 ppm1      8.564 ppm2      4.141 CV     1
 ASSI {  186}
   (( segid " 1SG" and resid 30   and name HN  ))
   (( segid " 1SG" and resid 29   and name HA  ))
      2.300     0.600     0.600 peak   186 spectrum    1 weight  0.10000E+01 volume  0.58220E-02 ppm1      8.591 ppm2      4.384 CV     1
 ASSI {  189}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 77   and name HA  ))
      2.200     0.600     0.600 peak   189 spectrum    1 weight  0.10000E+01 volume  0.57046E-02 ppm1      8.053 ppm2      4.655 CV     1
 ASSI {  191}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 20   and name HA1 ))
      2.400     0.700     0.700 peak   191 spectrum    1 weight  0.10000E+01 volume  0.56153E-02 ppm1      8.825 ppm2      3.727 CV     1
 ASSI {  192}
   (( segid " 1SG" and resid 68   and name HN  ))
   (( segid " 1SG" and resid 68   and name HA  ))
      2.300     0.700     0.700 peak   192 spectrum    1 weight  0.10000E+01 volume  0.55873E-02 ppm1      7.877 ppm2      3.593 CV     1
 ASSI {  193}
   (( segid " 1SG" and resid 17   and name HN  ))
   (( segid " 1SG" and resid 17   and name HB  ))
      2.600     0.800     0.800 peak   193 spectrum    1 weight  0.10000E+01 volume  0.55722E-02 ppm1      7.899 ppm2      4.062 CV     1
 ASSI {  194}
   (( segid " 1SG" and resid 69   and name HN  ))
   (  segid " 1SG" and resid 69   and name HG2%)
      2.600     0.900     0.900 peak   194 spectrum    1 weight  0.10000E+01 volume  0.55642E-02 ppm1      6.899 ppm2      0.850 CV     1
 OR {  194}
   (( segid " 1SG" and resid 69   and name HN  ))
   (  segid " 1SG" and resid 69   and name HG1%)
 ASSI {  197}
   (( segid " 1SG" and resid 39   and name HN  ))
   (  segid " 1SG" and resid 38   and name HG2%)
      3.500     1.500     1.500 peak   197 spectrum    1 weight  0.10000E+01 volume  0.55065E-02 ppm1      7.892 ppm2      0.789 CV     1
 ASSI {  198}
   (( segid " 1SG" and resid 63   and name HN  ))
   (( segid " 1SG" and resid 62   and name HA  ))
      2.500     0.800     0.800 peak   198 spectrum    1 weight  0.10000E+01 volume  0.54624E-02 ppm1      8.517 ppm2      4.602 CV     1
 ASSI {  199}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 13   and name HA  ))
      2.600     0.900     0.900 peak   199 spectrum    1 weight  0.10000E+01 volume  0.54433E-02 ppm1      9.183 ppm2      5.338 CV     1
 ASSI {  200}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 72   and name HA  ))
      2.200     0.600     0.600 peak   200 spectrum    1 weight  0.10000E+01 volume  0.54167E-02 ppm1      9.450 ppm2      5.366 CV     1
 ASSI {  201}
   (( segid " 1SG" and resid 12   and name HN  ))
   (( segid " 1SG" and resid 11   and name HA  ))
      2.500     0.800     0.800 peak   201 spectrum    1 weight  0.10000E+01 volume  0.54122E-02 ppm1      8.345 ppm2      4.804 CV     1
 ASSI {  202}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 46   and name HZ2 ))
      2.700     0.900     0.900 peak   202 spectrum    1 weight  0.10000E+01 volume  0.54077E-02 ppm1     10.116 ppm2      7.380 CV     1
 ASSI {  203}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 52   and name HN  ))
      2.500     0.800     0.800 peak   203 spectrum    1 weight  0.10000E+01 volume  0.53821E-02 ppm1      6.764 ppm2      7.787 CV     1
 ASSI {  204}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 20   and name HA2 ))
      2.800     1.000     1.000 peak   204 spectrum    1 weight  0.10000E+01 volume  0.53606E-02 ppm1      8.825 ppm2      4.373 CV     1
 ASSI {  206}
   (( segid " 1SG" and resid 26   and name HN  ))
   (( segid " 1SG" and resid 25   and name HA  ))
      2.300     0.700     0.700 peak   206 spectrum    1 weight  0.10000E+01 volume  0.52593E-02 ppm1      9.497 ppm2      5.685 CV     1
 ASSI {  208}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 105  and name HA  ))
      2.400     0.700     0.700 peak   208 spectrum    1 weight  0.10000E+01 volume  0.52382E-02 ppm1      8.151 ppm2      4.533 CV     1
 ASSI {  211}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 14   and name HA1 ))
      2.800     1.000     1.000 peak   211 spectrum    1 weight  0.10000E+01 volume  0.52076E-02 ppm1      8.504 ppm2      3.743 CV     1
 ASSI {  212}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HB1 ))
      2.600     0.800     0.800 peak   212 spectrum    1 weight  0.10000E+01 volume  0.52026E-02 ppm1      8.305 ppm2      1.753 CV     1
 OR {  212}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HB2 ))
 ASSI {  216}
   (( segid " 1SG" and resid 12   and name HE22))
   (( segid " 1SG" and resid 12   and name HG2 ))
      3.200     1.300     1.300 peak   216 spectrum    1 weight  0.10000E+01 volume  0.51580E-02 ppm1      6.922 ppm2      2.472 CV     1
 OR {  216}
   (( segid " 1SG" and resid 12   and name HE22))
   (( segid " 1SG" and resid 12   and name HG1 ))
 ASSI {  217}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 76   and name HG12))
      3.300     3.300     2.700 peak   217 spectrum    1 weight  0.10000E+01 volume  0.51394E-02 ppm1      9.019 ppm2      1.097 CV     1
 ASSI {  218}
   (( segid " 1SG" and resid 16   and name HN  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      2.600     0.800     0.800 peak   218 spectrum    1 weight  0.10000E+01 volume  0.51324E-02 ppm1      8.593 ppm2      0.602 CV     1
 ASSI {  219}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 67   and name HN  ))
      2.300     0.700     0.700 peak   219 spectrum    1 weight  0.10000E+01 volume  0.51158E-02 ppm1      8.106 ppm2      7.421 CV     1
 ASSI {  220}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 2    and name HB2 ))
      2.200     0.600     0.600 peak   220 spectrum    1 weight  0.10000E+01 volume  0.50587E-02 ppm1      8.116 ppm2      2.658 CV     1
 ASSI {  221}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 39   and name HB  ))
      2.600     0.800     0.800 peak   221 spectrum    1 weight  0.10000E+01 volume  0.49762E-02 ppm1      7.890 ppm2      0.582 CV     1
 ASSI {  222}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 35   and name HA  ))
      2.500     0.800     0.800 peak   222 spectrum    1 weight  0.10000E+01 volume  0.49389E-02 ppm1      7.511 ppm2      4.664 CV     1
 ASSI {  223}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 74   and name HA  ))
      2.300     0.700     0.700 peak   223 spectrum    1 weight  0.10000E+01 volume  0.49314E-02 ppm1      9.151 ppm2      4.330 CV     1
 ASSI {  228}
   (( segid " 1SG" and resid 15   and name HN  ))
   (  segid " 1SG" and resid 22   and name HD1%)
      3.000     1.100     1.100 peak   228 spectrum    1 weight  0.10000E+01 volume  0.47931E-02 ppm1      8.505 ppm2      0.527 CV     1
 ASSI {  229}
   (( segid " 1SG" and resid 85   and name HN  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      3.100     1.200     1.200 peak   229 spectrum    1 weight  0.10000E+01 volume  0.47787E-02 ppm1      9.407 ppm2      1.494 CV     1
 ASSI {  230}
   (( segid " 1SG" and resid 22   and name HN  ))
   (  segid " 1SG" and resid 22   and name HG2%)
      2.500     0.800     0.800 peak   230 spectrum    1 weight  0.10000E+01 volume  0.47512E-02 ppm1      8.888 ppm2      0.583 CV     1
 ASSI {  231}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 68   and name HN  ))
      2.100     0.600     0.600 peak   231 spectrum    1 weight  0.10000E+01 volume  0.47261E-02 ppm1      7.422 ppm2      7.877 CV     1
 ASSI {  232}
   (( segid " 1SG" and resid 38   and name HN  ))
   (  segid " 1SG" and resid 38   and name HG1%)
      3.300     1.300     1.300 peak   232 spectrum    1 weight  0.10000E+01 volume  0.47210E-02 ppm1      8.373 ppm2      0.842 CV     1
 ASSI {  235}
   (( segid " 1SG" and resid 18   and name HN  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      2.600     0.800     0.800 peak   235 spectrum    1 weight  0.10000E+01 volume  0.46548E-02 ppm1      8.004 ppm2      1.281 CV     1
 ASSI {  236}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 108  and name HG1 ))
      3.500     1.600     1.600 peak   236 spectrum    1 weight  0.10000E+01 volume  0.46463E-02 ppm1      8.564 ppm2      2.233 CV     1
 OR {  236}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 108  and name HG2 ))
 ASSI {  240}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 26   and name HA  ))
      2.500     0.800     0.800 peak   240 spectrum    1 weight  0.10000E+01 volume  0.45375E-02 ppm1      8.891 ppm2      4.916 CV     1
 ASSI {  243}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 47   and name HB  ))
      2.800     1.000     1.000 peak   243 spectrum    1 weight  0.10000E+01 volume  0.44847E-02 ppm1      7.291 ppm2      2.508 CV     1
 ASSI {  244}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 13   and name HB2 ))
      2.900     1.100     1.100 peak   244 spectrum    1 weight  0.10000E+01 volume  0.44778E-02 ppm1      8.312 ppm2      2.683 CV     1
 ASSI {  245}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      3.000     1.100     1.100 peak   245 spectrum    1 weight  0.10000E+01 volume  0.44506E-02 ppm1      7.198 ppm2      1.453 CV     1
 ASSI {  246}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 103  and name HA  ))
      2.400     0.700     0.700 peak   246 spectrum    1 weight  0.10000E+01 volume  0.44498E-02 ppm1      8.793 ppm2      5.542 CV     1
 ASSI {  247}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 98   and name HA  ))
      2.700     0.900     0.900 peak   247 spectrum    1 weight  0.10000E+01 volume  0.44487E-02 ppm1      9.228 ppm2      4.702 CV     1
 ASSI {  248}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 38   and name HB  ))
      2.700     0.900     0.900 peak   248 spectrum    1 weight  0.10000E+01 volume  0.44414E-02 ppm1      8.373 ppm2      1.890 CV     1
 ASSI {  250}
   (( segid " 1SG" and resid 70   and name HN  ))
   (( segid " 1SG" and resid 69   and name HA  ))
      2.400     0.700     0.700 peak   250 spectrum    1 weight  0.10000E+01 volume  0.43605E-02 ppm1      9.273 ppm2      4.579 CV     1
 ASSI {  251}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 84   and name HN  ))
      2.500     0.800     0.800 peak   251 spectrum    1 weight  0.10000E+01 volume  0.43531E-02 ppm1      8.255 ppm2      7.866 CV     1
 ASSI {  253}
   (( segid " 1SG" and resid 10   and name HN  ))
   (( segid " 1SG" and resid 9    and name HA  ))
      2.600     0.800     0.800 peak   253 spectrum    1 weight  0.10000E+01 volume  0.43039E-02 ppm1      8.853 ppm2      4.646 CV     1
 ASSI {  256}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 102  and name HA  ))
      2.500     0.800     0.800 peak   256 spectrum    1 weight  0.10000E+01 volume  0.42729E-02 ppm1      9.243 ppm2      4.989 CV     1
 ASSI {  259}
   (( segid " 1SG" and resid 23   and name HN  ))
   (( segid " 1SG" and resid 23   and name HB  ))
      2.600     0.900     0.900 peak   259 spectrum    1 weight  0.10000E+01 volume  0.41796E-02 ppm1      7.914 ppm2      3.583 CV     1
 ASSI {  265}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 35   and name HG1 ))
      2.500     0.800     0.800 peak   265 spectrum    1 weight  0.10000E+01 volume  0.40475E-02 ppm1      7.511 ppm2      1.348 CV     1
 OR {  265}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 35   and name HG2 ))
 ASSI {  266}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 79   and name HA  ))
      2.700     0.900     0.900 peak   266 spectrum    1 weight  0.10000E+01 volume  0.39991E-02 ppm1      8.973 ppm2      3.661 CV     1
 ASSI {  267}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HG1 ))
      2.600     0.900     0.900 peak   267 spectrum    1 weight  0.10000E+01 volume  0.39859E-02 ppm1      8.306 ppm2      1.685 CV     1
 OR {  267}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HG2 ))
 ASSI {  268}
   (( segid " 1SG" and resid 72   and name HN  ))
   (( segid " 1SG" and resid 71   and name HA  ))
      2.200     0.600     0.600 peak   268 spectrum    1 weight  0.10000E+01 volume  0.39709E-02 ppm1      9.295 ppm2      5.062 CV     1
 ASSI {  269}
   (( segid " 1SG" and resid 17   and name HN  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      3.200     1.300     1.300 peak   269 spectrum    1 weight  0.10000E+01 volume  0.39642E-02 ppm1      7.900 ppm2      1.280 CV     1
 ASSI {  270}
   (( segid " 1SG" and resid 29   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG2%)
      2.400     0.700     0.700 peak   270 spectrum    1 weight  0.10000E+01 volume  0.39514E-02 ppm1      8.855 ppm2      0.945 CV     1
 OR {  270}
   (( segid " 1SG" and resid 29   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG1%)
 ASSI {  271}
   (( segid " 1SG" and resid 94   and name HN  ))
   (( segid " 1SG" and resid 93   and name HA  ))
      2.500     0.800     0.800 peak   271 spectrum    1 weight  0.10000E+01 volume  0.39467E-02 ppm1      8.339 ppm2      4.764 CV     1
 ASSI {  272}
   (( segid " 1SG" and resid 93   and name HN  ))
   (( segid " 1SG" and resid 92   and name HB2 ))
      3.400     1.400     1.400 peak   272 spectrum    1 weight  0.10000E+01 volume  0.39338E-02 ppm1      8.558 ppm2      3.937 CV     1
 OR {  272}
   (( segid " 1SG" and resid 93   and name HN  ))
   (( segid " 1SG" and resid 92   and name HB1 ))
 ASSI {  273}
   (( segid " 1SG" and resid 77   and name HN  ))
   (  segid " 1SG" and resid 76   and name HG2%)
      3.000     1.100     1.100 peak   273 spectrum    1 weight  0.10000E+01 volume  0.38507E-02 ppm1      8.717 ppm2      0.785 CV     1
 ASSI {  274}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 95   and name HN  ))
      1.800     0.400     0.400 peak   274 spectrum    1 weight  0.10000E+01 volume  0.38335E-02 ppm1      7.549 ppm2      7.973 CV     1
 ASSI {  275}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB1 ))
      2.500     0.800     0.800 peak   275 spectrum    1 weight  0.10000E+01 volume  0.38204E-02 ppm1      8.381 ppm2      1.692 CV     1
 OR {  275}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB2 ))
 ASSI {  276}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 96   and name HB2 ))
      3.400     3.400     2.600 peak   276 spectrum    1 weight  0.10000E+01 volume  0.37951E-02 ppm1      8.263 ppm2      1.571 CV     1
 ASSI {  278}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 5    and name HN  ))
      2.400     0.700     0.700 peak   278 spectrum    1 weight  0.10000E+01 volume  0.37777E-02 ppm1      8.263 ppm2      8.143 CV     1
 ASSI {  279}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 68   and name HN  ))
      2.600     0.800     0.800 peak   279 spectrum    1 weight  0.10000E+01 volume  0.37672E-02 ppm1      6.899 ppm2      7.876 CV     1
 ASSI {  281}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 104  and name HA  ))
      2.500     0.800     0.800 peak   281 spectrum    1 weight  0.10000E+01 volume  0.37578E-02 ppm1      8.399 ppm2      5.431 CV     1
 ASSI {  285}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 4    and name HA  ))
      2.700     0.900     0.900 peak   285 spectrum    1 weight  0.10000E+01 volume  0.37311E-02 ppm1      8.264 ppm2      4.015 CV     1
 ASSI {  287}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 78   and name HN  ))
      2.700     0.900     0.900 peak   287 spectrum    1 weight  0.10000E+01 volume  0.36644E-02 ppm1      8.974 ppm2      8.055 CV     1
 ASSI {  288}
   (( segid " 1SG" and resid 86   and name HN  ))
   (( segid " 1SG" and resid 85   and name HA2 ))
      2.500     0.800     0.800 peak   288 spectrum    1 weight  0.10000E+01 volume  0.36606E-02 ppm1      7.948 ppm2      4.508 CV     1
 ASSI {  290}
   (( segid " 1SG" and resid 48   and name HN  ))
   (( segid " 1SG" and resid 48   and name HB2 ))
      2.800     1.000     1.000 peak   290 spectrum    1 weight  0.10000E+01 volume  0.36307E-02 ppm1      8.397 ppm2      2.936 CV     1
 ASSI {  291}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 65   and name HB1 ))
      3.000     1.100     1.100 peak   291 spectrum    1 weight  0.10000E+01 volume  0.36281E-02 ppm1      8.106 ppm2      1.756 CV     1
 OR {  291}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 65   and name HB2 ))
 ASSI {  294}
   (( segid " 1SG" and resid 98   and name HN  ))
   (( segid " 1SG" and resid 97   and name HA  ))
      2.700     0.900     0.900 peak   294 spectrum    1 weight  0.10000E+01 volume  0.35802E-02 ppm1      8.417 ppm2      5.247 CV     1
 ASSI {  295}
   (( segid " 1SG" and resid 86   and name HN  ))
   (( segid " 1SG" and resid 85   and name HA1 ))
      3.100     1.200     1.200 peak   295 spectrum    1 weight  0.10000E+01 volume  0.35795E-02 ppm1      7.948 ppm2      3.928 CV     1
 ASSI {  297}
   (( segid " 1SG" and resid 19   and name HN  ))
   (( segid " 1SG" and resid 19   and name HA1 ))
      3.000     1.100     1.100 peak   297 spectrum    1 weight  0.10000E+01 volume  0.35382E-02 ppm1      9.829 ppm2      4.250 CV     1
 ASSI {  298}
   (( segid " 1SG" and resid 19   and name HN  ))
   (  segid " 1SG" and resid 18   and name HG1%)
      3.200     1.300     1.300 peak   298 spectrum    1 weight  0.10000E+01 volume  0.35374E-02 ppm1      9.828 ppm2      0.981 CV     1
 ASSI {  300}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 27   and name HA  ))
      2.500     0.800     0.800 peak   300 spectrum    1 weight  0.10000E+01 volume  0.34827E-02 ppm1      9.673 ppm2      5.831 CV     1
 ASSI {  302}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 53   and name HA  ))
      2.300     0.700     0.700 peak   302 spectrum    1 weight  0.10000E+01 volume  0.34800E-02 ppm1      6.765 ppm2      4.049 CV     1
 ASSI {  303}
   (( segid " 1SG" and resid 84   and name HN  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      3.500     1.600     1.600 peak   303 spectrum    1 weight  0.10000E+01 volume  0.34647E-02 ppm1      7.866 ppm2      1.494 CV     1
 ASSI {  304}
   (( segid " 1SG" and resid 30   and name HN  ))
   (  segid " 1SG" and resid 29   and name HB% )
      3.400     1.400     1.400 peak   304 spectrum    1 weight  0.10000E+01 volume  0.34599E-02 ppm1      8.591 ppm2      1.513 CV     1
 ASSI {  305}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 51   and name HN  ))
      2.500     0.800     0.800 peak   305 spectrum    1 weight  0.10000E+01 volume  0.34488E-02 ppm1      7.784 ppm2      7.881 CV     1
 ASSI {  306}
   (( segid " 1SG" and resid 24   and name HN  ))
   (  segid " 1SG" and resid 23   and name HG2%)
      2.900     1.100     1.100 peak   306 spectrum    1 weight  0.10000E+01 volume  0.34365E-02 ppm1      9.240 ppm2      0.769 CV     1
 ASSI {  307}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 34   and name HA  ))
      2.900     1.100     1.100 peak   307 spectrum    1 weight  0.10000E+01 volume  0.34279E-02 ppm1      7.511 ppm2      4.289 CV     1
 ASSI {  308}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 2    and name HA  ))
      2.700     0.900     0.900 peak   308 spectrum    1 weight  0.10000E+01 volume  0.34258E-02 ppm1      8.115 ppm2      4.899 CV     1
 ASSI {  309}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 68   and name HA  ))
      2.700     0.900     0.900 peak   309 spectrum    1 weight  0.10000E+01 volume  0.34252E-02 ppm1      6.899 ppm2      3.593 CV     1
 ASSI {  310}
   (( segid " 1SG" and resid 90   and name HN  ))
   (( segid " 1SG" and resid 89   and name HA  ))
      2.600     0.900     0.900 peak   310 spectrum    1 weight  0.10000E+01 volume  0.34178E-02 ppm1      9.489 ppm2      4.946 CV     1
 ASSI {  311}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (  segid " 1SG" and resid 39   and name HG1%)
      2.800     1.000     1.000 peak   311 spectrum    1 weight  0.10000E+01 volume  0.34176E-02 ppm1     10.780 ppm2     -0.081 CV     1
 ASSI {  312}
   (( segid " 1SG" and resid 93   and name HN  ))
   (( segid " 1SG" and resid 93   and name HA  ))
      2.700     0.900     0.900 peak   312 spectrum    1 weight  0.10000E+01 volume  0.34023E-02 ppm1      8.558 ppm2      4.778 CV     1
 ASSI {  314}
   (( segid " 1SG" and resid 72   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD1%)
      2.800     1.000     1.000 peak   314 spectrum    1 weight  0.10000E+01 volume  0.33743E-02 ppm1      9.295 ppm2      0.842 CV     1
 ASSI {  315}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 67   and name HA  ))
      2.800     1.000     1.000 peak   315 spectrum    1 weight  0.10000E+01 volume  0.33341E-02 ppm1      7.421 ppm2      4.297 CV     1
 ASSI {  316}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 83   and name HA  ))
      2.700     0.900     0.900 peak   316 spectrum    1 weight  0.10000E+01 volume  0.33252E-02 ppm1      8.255 ppm2      4.603 CV     1
 ASSI {  318}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      3.400     1.500     1.500 peak   318 spectrum    1 weight  0.10000E+01 volume  0.33035E-02 ppm1      8.940 ppm2      1.448 CV     1
 ASSI {  319}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 48   and name HA  ))
      2.500     0.800     0.800 peak   319 spectrum    1 weight  0.10000E+01 volume  0.33017E-02 ppm1      9.288 ppm2      4.192 CV     1
 ASSI {  320}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 58   and name HB2 ))
      3.300     1.400     1.400 peak   320 spectrum    1 weight  0.10000E+01 volume  0.32994E-02 ppm1      7.438 ppm2      2.396 CV     1
 OR {  320}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 58   and name HB1 ))
 ASSI {  321}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 73   and name HA  ))
      2.500     0.800     0.800 peak   321 spectrum    1 weight  0.10000E+01 volume  0.32990E-02 ppm1      8.470 ppm2      5.470 CV     1
 ASSI {  322}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 52   and name HA  ))
      2.800     1.000     1.000 peak   322 spectrum    1 weight  0.10000E+01 volume  0.32982E-02 ppm1      7.785 ppm2      4.613 CV     1
 ASSI {  323}
   (( segid " 1SG" and resid 40   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG1%)
      3.000     1.100     1.100 peak   323 spectrum    1 weight  0.10000E+01 volume  0.32570E-02 ppm1      8.694 ppm2     -0.080 CV     1
 ASSI {  324}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 43   and name HA  ))
      2.500     0.800     0.800 peak   324 spectrum    1 weight  0.10000E+01 volume  0.32553E-02 ppm1      8.211 ppm2      4.128 CV     1
 ASSI {  326}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 83   and name HB2 ))
      2.600     0.800     0.800 peak   326 spectrum    1 weight  0.10000E+01 volume  0.32252E-02 ppm1      8.255 ppm2      3.172 CV     1
 ASSI {  327}
   (( segid " 1SG" and resid 75   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD1%)
      3.400     1.500     1.500 peak   327 spectrum    1 weight  0.10000E+01 volume  0.32080E-02 ppm1      9.151 ppm2      0.400 CV     1
 OR {  327}
   (( segid " 1SG" and resid 75   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD2%)
 ASSI {  328}
   (( segid " 1SG" and resid 107  and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      2.900     1.100     1.100 peak   328 spectrum    1 weight  0.10000E+01 volume  0.32057E-02 ppm1      8.822 ppm2      0.372 CV     1
 ASSI {  329}
   (( segid " 1SG" and resid 64   and name HN  ))
   (( segid " 1SG" and resid 64   and name HB2 ))
      2.800     1.000     1.000 peak   329 spectrum    1 weight  0.10000E+01 volume  0.32054E-02 ppm1      7.752 ppm2      2.335 CV     1
 ASSI {  330}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 5    and name HA2 ))
      3.300     1.400     1.400 peak   330 spectrum    1 weight  0.10000E+01 volume  0.31966E-02 ppm1      8.264 ppm2      3.842 CV     1
 OR {  330}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 5    and name HA1 ))
 ASSI {  332}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 75   and name HB2 ))
      2.800     1.000     1.000 peak   332 spectrum    1 weight  0.10000E+01 volume  0.31546E-02 ppm1      9.150 ppm2      2.889 CV     1
 OR {  332}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 75   and name HB1 ))
 ASSI {  333}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 15   and name HB2 ))
      2.900     1.000     1.000 peak   333 spectrum    1 weight  0.10000E+01 volume  0.31499E-02 ppm1      8.504 ppm2      2.013 CV     1
 OR {  333}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 15   and name HB1 ))
 ASSI {  335}
   (( segid " 1SG" and resid 5    and name HN  ))
   (( segid " 1SG" and resid 5    and name HA2 ))
      2.700     0.900     0.900 peak   335 spectrum    1 weight  0.10000E+01 volume  0.31113E-02 ppm1      8.144 ppm2      3.857 CV     1
 OR {  335}
   (( segid " 1SG" and resid 5    and name HN  ))
   (( segid " 1SG" and resid 5    and name HA1 ))
 ASSI {  336}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (  segid " 1SG" and resid 59   and name HD2%)
      2.900     1.000     1.000 peak   336 spectrum    1 weight  0.10000E+01 volume  0.31053E-02 ppm1     10.780 ppm2      0.692 CV     1
 ASSI {  339}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 19   and name HN  ))
      2.600     0.900     0.900 peak   339 spectrum    1 weight  0.10000E+01 volume  0.30813E-02 ppm1      8.825 ppm2      9.828 CV     1
 ASSI {  340}
   (( segid " 1SG" and resid 80   and name HE21))
   (( segid " 1SG" and resid 80   and name HG2 ))
      2.800     1.000     1.000 peak   340 spectrum    1 weight  0.10000E+01 volume  0.30765E-02 ppm1      6.984 ppm2      2.164 CV     1
 OR {  340}
   (( segid " 1SG" and resid 80   and name HE21))
   (( segid " 1SG" and resid 80   and name HG1 ))
 ASSI {  342}
   (( segid " 1SG" and resid 18   and name HN  ))
   (( segid " 1SG" and resid 17   and name HB  ))
      3.100     1.200     1.200 peak   342 spectrum    1 weight  0.10000E+01 volume  0.30685E-02 ppm1      8.006 ppm2      4.061 CV     1
 ASSI {  344}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 107  and name HB1 ))
      2.800     1.000     1.000 peak   344 spectrum    1 weight  0.10000E+01 volume  0.30584E-02 ppm1      8.825 ppm2      3.076 CV     1
 OR {  344}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 107  and name HB2 ))
 ASSI {  346}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HA  ))
      2.800     1.000     1.000 peak   346 spectrum    1 weight  0.10000E+01 volume  0.30449E-02 ppm1      8.305 ppm2      3.450 CV     1
 ASSI {  348}
   (( segid " 1SG" and resid 21   and name HN  ))
   (( segid " 1SG" and resid 20   and name HN  ))
      3.400     1.500     1.500 peak   348 spectrum    1 weight  0.10000E+01 volume  0.30235E-02 ppm1      8.168 ppm2      8.828 CV     1
 ASSI {  350}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 42   and name HA  ))
      2.700     0.900     0.900 peak   350 spectrum    1 weight  0.10000E+01 volume  0.30081E-02 ppm1      8.632 ppm2      5.786 CV     1
 ASSI {  351}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 54   and name HN  ))
      2.700     0.900     0.900 peak   351 spectrum    1 weight  0.10000E+01 volume  0.29910E-02 ppm1      7.198 ppm2      9.022 CV     1
 ASSI {  352}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 15   and name HB1 ))
      3.300     1.400     1.400 peak   352 spectrum    1 weight  0.10000E+01 volume  0.29898E-02 ppm1      8.593 ppm2      2.019 CV     1
 OR {  352}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 15   and name HB2 ))
 ASSI {  353}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 4    and name HG12))
      3.700     1.700     1.700 peak   353 spectrum    1 weight  0.10000E+01 volume  0.29898E-02 ppm1      8.263 ppm2      1.225 CV     1
 ASSI {  354}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 16   and name HA  ))
      2.800     1.000     1.000 peak   354 spectrum    1 weight  0.10000E+01 volume  0.29868E-02 ppm1      8.593 ppm2      4.581 CV     1
 ASSI {  355}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 52   and name HA  ))
      3.200     1.300     1.300 peak   355 spectrum    1 weight  0.10000E+01 volume  0.29850E-02 ppm1      6.764 ppm2      4.611 CV     1
 ASSI {  356}
   (( segid " 1SG" and resid 48   and name HN  ))
   (  segid " 1SG" and resid 47   and name HG2%)
      3.600     1.600     1.600 peak   356 spectrum    1 weight  0.10000E+01 volume  0.29776E-02 ppm1      8.397 ppm2      0.779 CV     1
 ASSI {  357}
   (( segid " 1SG" and resid 23   and name HN  ))
   (( segid " 1SG" and resid 22   and name HG12))
      3.500     1.500     1.500 peak   357 spectrum    1 weight  0.10000E+01 volume  0.29752E-02 ppm1      7.913 ppm2      0.071 CV     1
 ASSI {  358}
   (( segid " 1SG" and resid 39   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG2%)
      2.700     0.900     0.900 peak   358 spectrum    1 weight  0.10000E+01 volume  0.29741E-02 ppm1      7.891 ppm2     -0.459 CV     1
 ASSI {  361}
   (( segid " 1SG" and resid 83   and name HN  ))
   (  segid " 1SG" and resid 82   and name HB% )
      3.300     1.300     1.300 peak   361 spectrum    1 weight  0.10000E+01 volume  0.29401E-02 ppm1      8.256 ppm2      1.312 CV     1
 ASSI {  362}
   (( segid " 1SG" and resid 18   and name HN  ))
   (( segid " 1SG" and resid 18   and name HA  ))
      2.700     0.900     0.900 peak   362 spectrum    1 weight  0.10000E+01 volume  0.29359E-02 ppm1      8.005 ppm2      3.479 CV     1
 ASSI {  363}
   (( segid " 1SG" and resid 47   and name HN  ))
   (  segid " 1SG" and resid 47   and name HG2%)
      2.600     2.600     3.400 peak   363 spectrum    1 weight  0.10000E+01 volume  0.29131E-02 ppm1      7.291 ppm2      0.780 CV     1
 ASSI {  364}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 65   and name HN  ))
      2.600     0.800     0.800 peak   364 spectrum    1 weight  0.10000E+01 volume  0.29077E-02 ppm1      8.106 ppm2      8.306 CV     1
 ASSI {  367}
   (( segid " 1SG" and resid 17   and name HN  ))
   (( segid " 1SG" and resid 16   and name HB  ))
      2.800     1.000     1.000 peak   367 spectrum    1 weight  0.10000E+01 volume  0.28936E-02 ppm1      7.901 ppm2      1.791 CV     1
 ASSI {  368}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 67   and name HB1 ))
      2.800     1.000     1.000 peak   368 spectrum    1 weight  0.10000E+01 volume  0.28908E-02 ppm1      7.421 ppm2      3.728 CV     1
 OR {  368}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 67   and name HB2 ))
 ASSI {  370}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 61   and name HB2 ))
      3.300     1.300     1.300 peak   370 spectrum    1 weight  0.10000E+01 volume  0.28831E-02 ppm1      8.849 ppm2      2.303 CV     1
 ASSI {  371}
   (( segid " 1SG" and resid 92   and name HN  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      2.700     0.900     0.900 peak   371 spectrum    1 weight  0.10000E+01 volume  0.28793E-02 ppm1      8.734 ppm2      0.173 CV     1
 ASSI {  372}
   (( segid " 1SG" and resid 64   and name HN  ))
   (( segid " 1SG" and resid 64   and name HA  ))
      2.800     1.000     1.000 peak   372 spectrum    1 weight  0.10000E+01 volume  0.28760E-02 ppm1      7.752 ppm2      4.579 CV     1
 ASSI {  373}
   (( segid " 1SG" and resid 64   and name HN  ))
   (  segid " 1SG" and resid 63   and name HD% )
      3.200     1.300     1.300 peak   373 spectrum    1 weight  0.10000E+01 volume  0.28653E-02 ppm1      7.752 ppm2      5.902 CV     1
 ASSI {  374}
   (( segid " 1SG" and resid 77   and name HN  ))
   (  segid " 1SG" and resid 77   and name HG2%)
      2.800     1.000     1.000 peak   374 spectrum    1 weight  0.10000E+01 volume  0.28525E-02 ppm1      8.717 ppm2      1.030 CV     1
 ASSI {  376}
   (( segid " 1SG" and resid 42   and name HN  ))
   (( segid " 1SG" and resid 41   and name HA  ))
      2.700     0.900     0.900 peak   376 spectrum    1 weight  0.10000E+01 volume  0.28446E-02 ppm1      9.447 ppm2      5.468 CV     1
 ASSI {  378}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 12   and name HB2 ))
      3.100     1.200     1.200 peak   378 spectrum    1 weight  0.10000E+01 volume  0.28359E-02 ppm1      8.312 ppm2      1.966 CV     1
 ASSI {  379}
   (( segid " 1SG" and resid 58   and name HE22))
   (( segid " 1SG" and resid 58   and name HB2 ))
      3.700     1.700     1.700 peak   379 spectrum    1 weight  0.10000E+01 volume  0.28288E-02 ppm1      6.684 ppm2      2.396 CV     1
 OR {  379}
   (( segid " 1SG" and resid 58   and name HE22))
   (( segid " 1SG" and resid 58   and name HB1 ))
 ASSI {  382}
   (( segid " 1SG" and resid 76   and name HN  ))
   (( segid " 1SG" and resid 76   and name HB  ))
      2.700     0.900     0.900 peak   382 spectrum    1 weight  0.10000E+01 volume  0.28098E-02 ppm1      8.925 ppm2      1.902 CV     1
 ASSI {  383}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 12   and name HG1 ))
      3.800     1.800     1.800 peak   383 spectrum    1 weight  0.10000E+01 volume  0.28067E-02 ppm1      8.312 ppm2      2.471 CV     1
 OR {  383}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 12   and name HG2 ))
 ASSI {  384}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 96   and name HG1 ))
      3.100     1.200     1.200 peak   384 spectrum    1 weight  0.10000E+01 volume  0.28038E-02 ppm1      7.548 ppm2      1.318 CV     1
 OR {  384}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 96   and name HG2 ))
 ASSI {  388}
   (( segid " 1SG" and resid 106  and name HN  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      3.300     1.400     1.400 peak   388 spectrum    1 weight  0.10000E+01 volume  0.27755E-02 ppm1      8.150 ppm2      1.495 CV     1
 ASSI {  389}
   (( segid " 1SG" and resid 26   and name HN  ))
   (  segid " 1SG" and resid 26   and name HB% )
      2.800     1.000     1.000 peak   389 spectrum    1 weight  0.10000E+01 volume  0.27726E-02 ppm1      9.497 ppm2      1.455 CV     1
 ASSI {  390}
   (( segid " 1SG" and resid 20   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      3.100     1.200     1.200 peak   390 spectrum    1 weight  0.10000E+01 volume  0.27693E-02 ppm1      8.825 ppm2      1.174 CV     1
 ASSI {  391}
   (( segid " 1SG" and resid 21   and name HN  ))
   (( segid " 1SG" and resid 21   and name HA  ))
      2.600     0.900     0.900 peak   391 spectrum    1 weight  0.10000E+01 volume  0.27652E-02 ppm1      8.169 ppm2      5.493 CV     1
 ASSI {  392}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 59   and name HG  ))
      3.500     1.500     1.500 peak   392 spectrum    1 weight  0.10000E+01 volume  0.27623E-02 ppm1      8.382 ppm2      1.425 CV     1
 ASSI {  393}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 57   and name HA  ))
      2.700     0.900     0.900 peak   393 spectrum    1 weight  0.10000E+01 volume  0.27622E-02 ppm1      7.198 ppm2      5.399 CV     1
 ASSI {  395}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 107  and name HA  ))
      2.700     0.900     0.900 peak   395 spectrum    1 weight  0.10000E+01 volume  0.27533E-02 ppm1      8.825 ppm2      4.841 CV     1
 ASSI {  396}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 53   and name HB  ))
      3.600     1.600     1.600 peak   396 spectrum    1 weight  0.10000E+01 volume  0.27448E-02 ppm1      9.019 ppm2      2.127 CV     1
 ASSI {  397}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 52   and name HG2 ))
      3.700     1.700     1.700 peak   397 spectrum    1 weight  0.10000E+01 volume  0.27433E-02 ppm1      7.786 ppm2      1.324 CV     1
 OR {  397}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 52   and name HG1 ))
 ASSI {  398}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 13   and name HA  ))
      2.800     1.000     1.000 peak   398 spectrum    1 weight  0.10000E+01 volume  0.27412E-02 ppm1      8.312 ppm2      5.337 CV     1
 ASSI {  399}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 44   and name HA1 ))
      2.700     0.900     0.900 peak   399 spectrum    1 weight  0.10000E+01 volume  0.27288E-02 ppm1      8.211 ppm2      3.463 CV     1
 ASSI {  401}
   (( segid " 1SG" and resid 12   and name HN  ))
   (( segid " 1SG" and resid 12   and name HG2 ))
      3.000     1.100     1.100 peak   401 spectrum    1 weight  0.10000E+01 volume  0.27146E-02 ppm1      8.346 ppm2      2.468 CV     1
 OR {  401}
   (( segid " 1SG" and resid 12   and name HN  ))
   (( segid " 1SG" and resid 12   and name HG1 ))
 ASSI {  403}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB1 ))
      3.500     1.500     1.500 peak   403 spectrum    1 weight  0.10000E+01 volume  0.26991E-02 ppm1      8.686 ppm2      1.687 CV     1
 OR {  403}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB2 ))
 ASSI {  404}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 62   and name HA  ))
      2.800     1.000     1.000 peak   404 spectrum    1 weight  0.10000E+01 volume  0.26979E-02 ppm1      8.849 ppm2      4.602 CV     1
 ASSI {  407}
   (( segid " 1SG" and resid 60   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD2%)
      3.000     1.100     1.100 peak   407 spectrum    1 weight  0.10000E+01 volume  0.26792E-02 ppm1      8.689 ppm2      0.691 CV     1
 ASSI {  408}
   (( segid " 1SG" and resid 106  and name HN  ))
   (  segid " 1SG" and resid 106  and name HG1%)
      2.600     0.900     0.900 peak   408 spectrum    1 weight  0.10000E+01 volume  0.26654E-02 ppm1      8.151 ppm2      0.679 CV     1
 ASSI {  409}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 41   and name HD1 ))
      2.800     1.000     1.000 peak   409 spectrum    1 weight  0.10000E+01 volume  0.26531E-02 ppm1      9.308 ppm2      7.130 CV     1
 ASSI {  411}
   (( segid " 1SG" and resid 51   and name HN  ))
   (( segid " 1SG" and resid 51   and name HA  ))
      3.000     1.100     1.100 peak   411 spectrum    1 weight  0.10000E+01 volume  0.26071E-02 ppm1      7.877 ppm2      4.560 CV     1
 ASSI {  413}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 15   and name HG1 ))
      3.300     1.300     1.300 peak   413 spectrum    1 weight  0.10000E+01 volume  0.25981E-02 ppm1      8.506 ppm2      2.277 CV     1
 OR {  413}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 15   and name HG2 ))
 ASSI {  415}
   (( segid " 1SG" and resid 17   and name HN  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      3.100     1.200     1.200 peak   415 spectrum    1 weight  0.10000E+01 volume  0.25976E-02 ppm1      7.900 ppm2      0.602 CV     1
 ASSI {  416}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 15   and name HA  ))
      2.900     1.000     1.000 peak   416 spectrum    1 weight  0.10000E+01 volume  0.25905E-02 ppm1      8.504 ppm2      5.491 CV     1
 ASSI {  417}
   (( segid " 1SG" and resid 103  and name HD21))
   (( segid " 1SG" and resid 103  and name HB2 ))
      2.800     1.000     1.000 peak   417 spectrum    1 weight  0.10000E+01 volume  0.25875E-02 ppm1      7.721 ppm2      2.502 CV     1
 ASSI {  421}
   (( segid " 1SG" and resid 80   and name HE22))
   (( segid " 1SG" and resid 80   and name HG2 ))
      3.600     1.700     1.700 peak   421 spectrum    1 weight  0.10000E+01 volume  0.25766E-02 ppm1      6.645 ppm2      2.164 CV     1
 OR {  421}
   (( segid " 1SG" and resid 80   and name HE22))
   (( segid " 1SG" and resid 80   and name HG1 ))
 ASSI {  422}
   (( segid " 1SG" and resid 100  and name HN  ))
   (( segid " 1SG" and resid 99   and name HA  ))
      2.800     1.000     1.000 peak   422 spectrum    1 weight  0.10000E+01 volume  0.25647E-02 ppm1      8.896 ppm2      5.700 CV     1
 ASSI {  424}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 38   and name HA  ))
      2.800     1.000     1.000 peak   424 spectrum    1 weight  0.10000E+01 volume  0.25518E-02 ppm1      8.372 ppm2      3.897 CV     1
 ASSI {  425}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 53   and name HB  ))
      3.000     1.100     1.100 peak   425 spectrum    1 weight  0.10000E+01 volume  0.25434E-02 ppm1      7.785 ppm2      2.145 CV     1
 ASSI {  426}
   (( segid " 1SG" and resid 78   and name HN  ))
   (  segid " 1SG" and resid 77   and name HG2%)
      3.900     1.900     1.900 peak   426 spectrum    1 weight  0.10000E+01 volume  0.25430E-02 ppm1      8.054 ppm2      1.025 CV     1
 ASSI {  427}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 103  and name HB2 ))
      3.000     1.100     1.100 peak   427 spectrum    1 weight  0.10000E+01 volume  0.25417E-02 ppm1      9.242 ppm2      2.501 CV     1
 ASSI {  430}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 50   and name HA  ))
      3.000     1.100     1.100 peak   430 spectrum    1 weight  0.10000E+01 volume  0.25131E-02 ppm1      8.940 ppm2      3.956 CV     1
 ASSI {  431}
   (( segid " 1SG" and resid 23   and name HN  ))
   (  segid " 1SG" and resid 22   and name HD1%)
      2.900     1.100     1.100 peak   431 spectrum    1 weight  0.10000E+01 volume  0.25101E-02 ppm1      7.912 ppm2      0.534 CV     1
 ASSI {  432}
   (( segid " 1SG" and resid 30   and name HN  ))
   (( segid " 1SG" and resid 69   and name HA  ))
      2.700     0.900     0.900 peak   432 spectrum    1 weight  0.10000E+01 volume  0.25030E-02 ppm1      8.591 ppm2      4.580 CV     1
 ASSI {  433}
   (( segid " 1SG" and resid 87   and name HN  ))
   (( segid " 1SG" and resid 86   and name HA1 ))
      3.400     1.400     1.400 peak   433 spectrum    1 weight  0.10000E+01 volume  0.24926E-02 ppm1      9.115 ppm2      3.473 CV     1
 ASSI {  434}
   (( segid " 1SG" and resid 61   and name HN  ))
   (( segid " 1SG" and resid 61   and name HA  ))
      2.700     0.900     0.900 peak   434 spectrum    1 weight  0.10000E+01 volume  0.24915E-02 ppm1      8.180 ppm2      5.560 CV     1
 ASSI {  435}
   (( segid " 1SG" and resid 87   and name HN  ))
   (( segid " 1SG" and resid 86   and name HA2 ))
      2.600     0.900     0.900 peak   435 spectrum    1 weight  0.10000E+01 volume  0.24854E-02 ppm1      9.112 ppm2      4.658 CV     1
 ASSI {  437}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 13   and name HA  ))
      2.900     1.100     1.100 peak   437 spectrum    1 weight  0.10000E+01 volume  0.24797E-02 ppm1      9.242 ppm2      5.338 CV     1
 ASSI {  439}
   (( segid " 1SG" and resid 8    and name HN  ))
   (( segid " 1SG" and resid 7    and name HA  ))
      2.700     0.900     0.900 peak   439 spectrum    1 weight  0.10000E+01 volume  0.24745E-02 ppm1      9.052 ppm2      4.631 CV     1
 ASSI {  440}
   (( segid " 1SG" and resid 86   and name HN  ))
   (( segid " 1SG" and resid 86   and name HA2 ))
      3.100     1.200     1.200 peak   440 spectrum    1 weight  0.10000E+01 volume  0.24742E-02 ppm1      7.947 ppm2      4.658 CV     1
 ASSI {  443}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 77   and name HB  ))
      2.800     1.000     1.000 peak   443 spectrum    1 weight  0.10000E+01 volume  0.24456E-02 ppm1      8.053 ppm2      4.009 CV     1
 ASSI {  446}
   (( segid " 1SG" and resid 101  and name HN  ))
   (( segid " 1SG" and resid 100  and name HA  ))
      2.800     1.000     1.000 peak   446 spectrum    1 weight  0.10000E+01 volume  0.24091E-02 ppm1      9.045 ppm2      4.660 CV     1
 ASSI {  448}
   (( segid " 1SG" and resid 63   and name HN  ))
   (( segid " 1SG" and resid 62   and name HB2 ))
      3.400     1.500     1.500 peak   448 spectrum    1 weight  0.10000E+01 volume  0.24081E-02 ppm1      8.516 ppm2      3.810 CV     1
 ASSI {  449}
   (( segid " 1SG" and resid 8    and name HN  ))
   (  segid " 1SG" and resid 8    and name HG2%)
      2.700     0.900     0.900 peak   449 spectrum    1 weight  0.10000E+01 volume  0.24080E-02 ppm1      9.052 ppm2      0.947 CV     1
 OR {  449}
   (( segid " 1SG" and resid 8    and name HN  ))
   (  segid " 1SG" and resid 8    and name HG1%)
 ASSI {  450}
   (( segid " 1SG" and resid 9    and name HN  ))
   (  segid " 1SG" and resid 8    and name HG2%)
      3.700     1.700     1.700 peak   450 spectrum    1 weight  0.10000E+01 volume  0.23931E-02 ppm1      7.890 ppm2      0.950 CV     1
 OR {  450}
   (( segid " 1SG" and resid 9    and name HN  ))
   (  segid " 1SG" and resid 8    and name HG1%)
 ASSI {  453}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 52   and name HB2 ))
      2.600     0.900     0.900 peak   453 spectrum    1 weight  0.10000E+01 volume  0.23705E-02 ppm1      7.785 ppm2      1.718 CV     1
 ASSI {  454}
   (( segid " 1SG" and resid 39   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG1%)
      3.800     1.800     1.800 peak   454 spectrum    1 weight  0.10000E+01 volume  0.23661E-02 ppm1      7.892 ppm2     -0.081 CV     1
 ASSI {  456}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 37   and name HB2 ))
      3.200     1.300     1.300 peak   456 spectrum    1 weight  0.10000E+01 volume  0.23516E-02 ppm1      8.373 ppm2      1.365 CV     1
 OR {  456}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 37   and name HG2 ))
 ASSI {  458}
   (( segid " 1SG" and resid 48   and name HN  ))
   (  segid " 1SG" and resid 47   and name HG1%)
      3.200     1.300     1.300 peak   458 spectrum    1 weight  0.10000E+01 volume  0.23382E-02 ppm1      8.397 ppm2      0.978 CV     1
 ASSI {  460}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 54   and name HA1 ))
      2.900     1.000     1.000 peak   460 spectrum    1 weight  0.10000E+01 volume  0.23292E-02 ppm1      9.019 ppm2      3.910 CV     1
 ASSI {  461}
   (( segid " 1SG" and resid 93   and name HN  ))
   (  segid " 1SG" and resid 93   and name HG2%)
      3.500     1.500     1.500 peak   461 spectrum    1 weight  0.10000E+01 volume  0.23243E-02 ppm1      8.557 ppm2      1.024 CV     1
 ASSI {  463}
   (( segid " 1SG" and resid 84   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG1%)
      2.900     1.000     1.000 peak   463 spectrum    1 weight  0.10000E+01 volume  0.22846E-02 ppm1      7.866 ppm2      0.680 CV     1
 ASSI {  465}
   (( segid " 1SG" and resid 40   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG2%)
      3.900     1.900     1.900 peak   465 spectrum    1 weight  0.10000E+01 volume  0.22774E-02 ppm1      8.695 ppm2     -0.459 CV     1
 ASSI {  466}
   (( segid " 1SG" and resid 24   and name HN  ))
   (  segid " 1SG" and resid 24   and name HD% )
      3.100     1.200     1.200 peak   466 spectrum    1 weight  0.10000E+01 volume  0.22696E-02 ppm1      9.240 ppm2      6.937 CV     1
 ASSI {  468}
   (( segid " 1SG" and resid 83   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG1%)
      2.900     1.000     1.000 peak   468 spectrum    1 weight  0.10000E+01 volume  0.22675E-02 ppm1      8.255 ppm2      0.675 CV     1
 ASSI {  469}
   (( segid " 1SG" and resid 27   and name HN  ))
   (  segid " 1SG" and resid 26   and name HB% )
      3.400     1.400     1.400 peak   469 spectrum    1 weight  0.10000E+01 volume  0.22587E-02 ppm1      8.888 ppm2      1.455 CV     1
 ASSI {  470}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 47   and name HA  ))
      2.800     1.000     1.000 peak   470 spectrum    1 weight  0.10000E+01 volume  0.22551E-02 ppm1      7.291 ppm2      4.058 CV     1
 ASSI {  474}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 21   and name HB2 ))
      2.800     1.000     1.000 peak   474 spectrum    1 weight  0.10000E+01 volume  0.22474E-02 ppm1      8.888 ppm2      3.751 CV     1
 ASSI {  476}
   (( segid " 1SG" and resid 51   and name HN  ))
   (( segid " 1SG" and resid 50   and name HN  ))
      2.800     1.000     1.000 peak   476 spectrum    1 weight  0.10000E+01 volume  0.22397E-02 ppm1      7.880 ppm2      8.943 CV     1
 ASSI {  477}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 18   and name HA  ))
      4.000     2.000     2.000 peak   477 spectrum    1 weight  0.10000E+01 volume  0.22376E-02 ppm1      8.823 ppm2      3.479 CV     1
 ASSI {  478}
   (( segid " 1SG" and resid 85   and name HN  ))
   (( segid " 1SG" and resid 85   and name HA2 ))
      3.000     1.100     1.100 peak   478 spectrum    1 weight  0.10000E+01 volume  0.22344E-02 ppm1      9.408 ppm2      4.521 CV     1
 ASSI {  479}
   (( segid " 1SG" and resid 76   and name HN  ))
   (  segid " 1SG" and resid 23   and name HG2%)
      3.600     1.600     1.600 peak   479 spectrum    1 weight  0.10000E+01 volume  0.22339E-02 ppm1      8.927 ppm2      0.780 CV     1
 ASSI {  480}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 22   and name HA  ))
      2.800     1.000     1.000 peak   480 spectrum    1 weight  0.10000E+01 volume  0.22222E-02 ppm1      8.888 ppm2      4.342 CV     1
 ASSI {  482}
   (( segid " 1SG" and resid 49   and name HN  ))
   (  segid " 1SG" and resid 49   and name HD1%)
      2.800     1.000     1.000 peak   482 spectrum    1 weight  0.10000E+01 volume  0.22163E-02 ppm1      9.288 ppm2      1.750 CV     1
 ASSI {  483}
   (( segid " 1SG" and resid 30   and name HN  ))
   (( segid " 1SG" and resid 30   and name HA1 ))
      2.700     0.900     0.900 peak   483 spectrum    1 weight  0.10000E+01 volume  0.22090E-02 ppm1      8.591 ppm2      3.945 CV     1
 ASSI {  484}
   (( segid " 1SG" and resid 18   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.000     1.100     1.100 peak   484 spectrum    1 weight  0.10000E+01 volume  0.21869E-02 ppm1      8.006 ppm2      0.372 CV     1
 ASSI {  487}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 69   and name HB  ))
      3.000     3.000     3.000 peak   487 spectrum    1 weight  0.10000E+01 volume  0.21625E-02 ppm1      8.723 ppm2      1.750 CV     1
 ASSI {  489}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 97   and name HB2 ))
      3.200     1.300     1.300 peak   489 spectrum    1 weight  0.10000E+01 volume  0.21577E-02 ppm1      8.062 ppm2      2.677 CV     1
 ASSI {  490}
   (( segid " 1SG" and resid 83   and name HN  ))
   (  segid " 1SG" and resid 83   and name HD% )
      3.700     1.700     1.700 peak   490 spectrum    1 weight  0.10000E+01 volume  0.21576E-02 ppm1      8.256 ppm2      7.116 CV     1
 ASSI {  493}
   (( segid " 1SG" and resid 23   and name HN  ))
   (( segid " 1SG" and resid 22   and name HB  ))
      3.700     1.700     1.700 peak   493 spectrum    1 weight  0.10000E+01 volume  0.21498E-02 ppm1      7.914 ppm2      1.515 CV     1
 ASSI {  495}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 44   and name HA2 ))
      3.000     1.100     1.100 peak   495 spectrum    1 weight  0.10000E+01 volume  0.21383E-02 ppm1      8.211 ppm2      3.816 CV     1
 ASSI {  498}
   (( segid " 1SG" and resid 52   and name HN  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      3.200     1.300     1.300 peak   498 spectrum    1 weight  0.10000E+01 volume  0.21295E-02 ppm1      7.782 ppm2      1.075 CV     1
 ASSI {  500}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 66   and name HA  ))
      3.100     1.200     1.200 peak   500 spectrum    1 weight  0.10000E+01 volume  0.21258E-02 ppm1      7.422 ppm2      4.123 CV     1
 ASSI {  501}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 106  and name HB  ))
      3.000     1.100     1.100 peak   501 spectrum    1 weight  0.10000E+01 volume  0.21226E-02 ppm1      8.151 ppm2      1.850 CV     1
 ASSI {  503}
   (( segid " 1SG" and resid 87   and name HN  ))
   (  segid " 1SG" and resid 87   and name HD% )
      2.700     0.900     0.900 peak   503 spectrum    1 weight  0.10000E+01 volume  0.21000E-02 ppm1      9.115 ppm2      6.800 CV     1
 ASSI {  504}
   (( segid " 1SG" and resid 61   and name HN  ))
   (( segid " 1SG" and resid 60   and name HB2 ))
      3.800     1.800     1.800 peak   504 spectrum    1 weight  0.10000E+01 volume  0.20921E-02 ppm1      8.180 ppm2      2.991 CV     1
 ASSI {  506}
   (( segid " 1SG" and resid 82   and name HN  ))
   (  segid " 1SG" and resid 82   and name HB% )
      3.200     1.300     1.300 peak   506 spectrum    1 weight  0.10000E+01 volume  0.20772E-02 ppm1      8.017 ppm2      1.312 CV     1
 ASSI {  508}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 96   and name HB2 ))
      3.800     1.800     1.800 peak   508 spectrum    1 weight  0.10000E+01 volume  0.20687E-02 ppm1      8.059 ppm2      1.560 CV     1
 ASSI {  509}
   (( segid " 1SG" and resid 80   and name HE21))
   (( segid " 1SG" and resid 80   and name HB2 ))
      3.000     1.100     1.100 peak   509 spectrum    1 weight  0.10000E+01 volume  0.20653E-02 ppm1      6.985 ppm2      1.949 CV     1
 OR {  509}
   (( segid " 1SG" and resid 80   and name HE21))
   (( segid " 1SG" and resid 80   and name HB1 ))
 ASSI {  510}
   (( segid " 1SG" and resid 85   and name HN  ))
   (( segid " 1SG" and resid 85   and name HA1 ))
      2.800     1.000     1.000 peak   510 spectrum    1 weight  0.10000E+01 volume  0.20559E-02 ppm1      9.407 ppm2      3.930 CV     1
 ASSI {  511}
   (( segid " 1SG" and resid 12   and name HN  ))
   (( segid " 1SG" and resid 12   and name HB2 ))
      3.000     1.200     1.200 peak   511 spectrum    1 weight  0.10000E+01 volume  0.20453E-02 ppm1      8.347 ppm2      1.969 CV     1
 ASSI {  512}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 102  and name HB2 ))
      3.300     1.400     1.400 peak   512 spectrum    1 weight  0.10000E+01 volume  0.20453E-02 ppm1      9.242 ppm2      2.724 CV     1
 ASSI {  515}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 20   and name HN  ))
      3.100     1.200     1.200 peak   515 spectrum    1 weight  0.10000E+01 volume  0.20382E-02 ppm1      8.972 ppm2      8.828 CV     1
 ASSI {  516}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 8    and name HB  ))
      2.900     1.000     1.000 peak   516 spectrum    1 weight  0.10000E+01 volume  0.20291E-02 ppm1      7.887 ppm2      1.807 CV     1
 ASSI {  518}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 87   and name HA  ))
      2.900     1.100     1.100 peak   518 spectrum    1 weight  0.10000E+01 volume  0.20226E-02 ppm1      9.108 ppm2      4.962 CV     1
 ASSI {  522}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB1 ))
      3.700     1.700     1.700 peak   522 spectrum    1 weight  0.10000E+01 volume  0.20066E-02 ppm1      8.381 ppm2      2.395 CV     1
 OR {  522}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB2 ))
 ASSI {  526}
   (( segid " 1SG" and resid 29   and name HN  ))
   (( segid " 1SG" and resid 29   and name HA  ))
      2.800     1.000     1.000 peak   526 spectrum    1 weight  0.10000E+01 volume  0.19678E-02 ppm1      8.854 ppm2      4.390 CV     1
 ASSI {  527}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 49   and name HG  ))
      3.000     1.100     1.100 peak   527 spectrum    1 weight  0.10000E+01 volume  0.19598E-02 ppm1      9.289 ppm2      0.785 CV     1
 ASSI {  530}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 54   and name HA2 ))
      3.200     1.300     1.300 peak   530 spectrum    1 weight  0.10000E+01 volume  0.19464E-02 ppm1      9.019 ppm2      4.291 CV     1
 ASSI {  531}
   (( segid " 1SG" and resid 19   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      3.200     1.300     1.300 peak   531 spectrum    1 weight  0.10000E+01 volume  0.19328E-02 ppm1      9.828 ppm2      1.174 CV     1
 ASSI {  532}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 60   and name HB2 ))
      2.900     1.000     1.000 peak   532 spectrum    1 weight  0.10000E+01 volume  0.19310E-02 ppm1      8.687 ppm2      2.990 CV     1
 ASSI {  533}
   (( segid " 1SG" and resid 5    and name HN  ))
   (( segid " 1SG" and resid 4    and name HB  ))
      2.600     0.900     0.900 peak   533 spectrum    1 weight  0.10000E+01 volume  0.19221E-02 ppm1      8.144 ppm2      2.029 CV     1
 ASSI {  534}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 71   and name HN  ))
      2.900     1.100     1.100 peak   534 spectrum    1 weight  0.10000E+01 volume  0.19204E-02 ppm1      8.848 ppm2      8.722 CV     1
 ASSI {  535}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 105  and name HB  ))
      2.900     1.100     1.100 peak   535 spectrum    1 weight  0.10000E+01 volume  0.19112E-02 ppm1      8.398 ppm2      3.929 CV     1
 ASSI {  537}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 58   and name HA  ))
      2.900     1.000     1.000 peak   537 spectrum    1 weight  0.10000E+01 volume  0.19092E-02 ppm1      8.940 ppm2      4.631 CV     1
 ASSI {  539}
   (( segid " 1SG" and resid 28   and name HN  ))
   (  segid " 1SG" and resid 28   and name HG2%)
      3.000     1.100     1.100 peak   539 spectrum    1 weight  0.10000E+01 volume  0.19026E-02 ppm1      9.673 ppm2      0.631 CV     1
 ASSI {  540}
   (( segid " 1SG" and resid 48   and name HN  ))
   (( segid " 1SG" and resid 48   and name HA  ))
      3.000     1.100     1.100 peak   540 spectrum    1 weight  0.10000E+01 volume  0.18959E-02 ppm1      8.396 ppm2      4.191 CV     1
 ASSI {  541}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 40   and name HB2 ))
      3.700     1.700     1.700 peak   541 spectrum    1 weight  0.10000E+01 volume  0.18943E-02 ppm1      8.694 ppm2      1.340 CV     1
 ASSI {  542}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 59   and name HA  ))
      2.800     1.000     1.000 peak   542 spectrum    1 weight  0.10000E+01 volume  0.18929E-02 ppm1      8.380 ppm2      5.185 CV     1
 ASSI {  544}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 16   and name HN  ))
      3.200     1.300     1.300 peak   544 spectrum    1 weight  0.10000E+01 volume  0.18822E-02 ppm1      8.823 ppm2      8.584 CV     1
 ASSI {  545}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 93   and name HN  ))
      2.800     1.000     1.000 peak   545 spectrum    1 weight  0.10000E+01 volume  0.18808E-02 ppm1      7.548 ppm2      8.557 CV     1
 ASSI {  546}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 71   and name HB2 ))
      3.300     1.400     1.400 peak   546 spectrum    1 weight  0.10000E+01 volume  0.18757E-02 ppm1      8.723 ppm2      1.271 CV     1
 ASSI {  548}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 58   and name HG2 ))
      4.300     2.300     1.700 peak   548 spectrum    1 weight  0.10000E+01 volume  0.18691E-02 ppm1      8.378 ppm2      1.797 CV     1
 ASSI {  549}
   (( segid " 1SG" and resid 91   and name HN  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      3.700     1.800     1.800 peak   549 spectrum    1 weight  0.10000E+01 volume  0.18691E-02 ppm1      8.474 ppm2      0.179 CV     1
 ASSI {  550}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 14   and name HA2 ))
      3.000     1.100     1.100 peak   550 spectrum    1 weight  0.10000E+01 volume  0.18647E-02 ppm1      9.184 ppm2      4.939 CV     1
 ASSI {  551}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 40   and name HB2 ))
      3.500     1.500     1.500 peak   551 spectrum    1 weight  0.10000E+01 volume  0.18611E-02 ppm1      9.309 ppm2      1.344 CV     1
 ASSI {  554}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 88   and name HA  ))
      2.900     1.000     1.000 peak   554 spectrum    1 weight  0.10000E+01 volume  0.18522E-02 ppm1      8.977 ppm2      5.305 CV     1
 ASSI {  555}
   (( segid " 1SG" and resid 59   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD1%)
      3.900     1.900     1.900 peak   555 spectrum    1 weight  0.10000E+01 volume  0.18486E-02 ppm1      8.380 ppm2      0.859 CV     1
 ASSI {  558}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 49   and name HN  ))
      2.900     1.000     1.000 peak   558 spectrum    1 weight  0.10000E+01 volume  0.18324E-02 ppm1      8.941 ppm2      9.293 CV     1
 ASSI {  559}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 47   and name HB  ))
      3.300     1.300     1.300 peak   559 spectrum    1 weight  0.10000E+01 volume  0.18303E-02 ppm1      8.633 ppm2      2.501 CV     1
 ASSI {  560}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 92   and name HB1 ))
      3.100     1.200     1.200 peak   560 spectrum    1 weight  0.10000E+01 volume  0.18248E-02 ppm1      8.734 ppm2      3.936 CV     1
 OR {  560}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 92   and name HB2 ))
 ASSI {  561}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 96   and name HB2 ))
      2.500     0.800     0.800 peak   561 spectrum    1 weight  0.10000E+01 volume  0.18195E-02 ppm1      7.548 ppm2      1.566 CV     1
 ASSI {  563}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 64   and name HA  ))
      3.800     1.800     1.800 peak   563 spectrum    1 weight  0.10000E+01 volume  0.18100E-02 ppm1      8.107 ppm2      4.573 CV     1
 ASSI {  564}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 39   and name HA  ))
      2.900     1.000     1.000 peak   564 spectrum    1 weight  0.10000E+01 volume  0.18071E-02 ppm1      7.892 ppm2      4.799 CV     1
 ASSI {  565}
   (( segid " 1SG" and resid 72   and name HN  ))
   (  segid " 1SG" and resid 72   and name HD% )
      2.800     0.900     0.900 peak   565 spectrum    1 weight  0.10000E+01 volume  0.18060E-02 ppm1      9.296 ppm2      7.306 CV     1
 ASSI {  566}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 14   and name HA1 ))
      3.100     1.200     1.200 peak   566 spectrum    1 weight  0.10000E+01 volume  0.17973E-02 ppm1      9.184 ppm2      3.743 CV     1
 ASSI {  567}
   (( segid " 1SG" and resid 77   and name HN  ))
   (( segid " 1SG" and resid 77   and name HA  ))
      2.800     1.000     1.000 peak   567 spectrum    1 weight  0.10000E+01 volume  0.17972E-02 ppm1      8.715 ppm2      4.655 CV     1
 ASSI {  570}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 87   and name HA  ))
      3.200     1.300     1.300 peak   570 spectrum    1 weight  0.10000E+01 volume  0.17693E-02 ppm1      8.211 ppm2      4.972 CV     1
 ASSI {  571}
   (( segid " 1SG" and resid 30   and name HN  ))
   (( segid " 1SG" and resid 30   and name HA2 ))
      3.200     1.300     1.300 peak   571 spectrum    1 weight  0.10000E+01 volume  0.17673E-02 ppm1      8.590 ppm2      4.673 CV     1
 ASSI {  573}
   (( segid " 1SG" and resid 108  and name HN  ))
   (  segid " 1SG" and resid 18   and name HG2%)
      3.500     1.500     1.500 peak   573 spectrum    1 weight  0.10000E+01 volume  0.17450E-02 ppm1      8.565 ppm2      0.943 CV     1
 ASSI {  574}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 13   and name HB2 ))
      2.800     1.000     1.000 peak   574 spectrum    1 weight  0.10000E+01 volume  0.17436E-02 ppm1      9.184 ppm2      2.684 CV     1
 ASSI {  575}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 75   and name HB2 ))
      3.200     1.200     1.200 peak   575 spectrum    1 weight  0.10000E+01 volume  0.17431E-02 ppm1      8.941 ppm2      2.888 CV     1
 OR {  575}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 75   and name HB1 ))
 ASSI {  576}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 77   and name HA  ))
      3.000     1.100     1.100 peak   576 spectrum    1 weight  0.10000E+01 volume  0.17339E-02 ppm1      8.887 ppm2      4.655 CV     1
 ASSI {  578}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 40   and name HA  ))
      2.900     1.100     1.100 peak   578 spectrum    1 weight  0.10000E+01 volume  0.17334E-02 ppm1      8.696 ppm2      4.547 CV     1
 ASSI {  579}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 65   and name HA  ))
      3.300     1.400     1.400 peak   579 spectrum    1 weight  0.10000E+01 volume  0.17315E-02 ppm1      8.106 ppm2      3.452 CV     1
 ASSI {  581}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 84   and name HA  ))
      3.000     1.100     1.100 peak   581 spectrum    1 weight  0.10000E+01 volume  0.17140E-02 ppm1      8.151 ppm2      4.228 CV     1
 OR {  581}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 84   and name HB  ))
 ASSI {  582}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 56   and name HN  ))
      2.900     1.100     1.100 peak   582 spectrum    1 weight  0.10000E+01 volume  0.17138E-02 ppm1      7.199 ppm2      8.391 CV     1
 ASSI {  584}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 96   and name HG1 ))
      3.900     1.900     1.900 peak   584 spectrum    1 weight  0.10000E+01 volume  0.17125E-02 ppm1      8.062 ppm2      1.318 CV     1
 OR {  584}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 96   and name HG2 ))
 ASSI {  585}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HB2 ))
      3.100     1.200     1.200 peak   585 spectrum    1 weight  0.10000E+01 volume  0.17101E-02 ppm1      8.888 ppm2      1.573 CV     1
 OR {  585}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HB1 ))
 ASSI {  586}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 27   and name HN  ))
      3.100     1.200     1.200 peak   586 spectrum    1 weight  0.10000E+01 volume  0.17083E-02 ppm1      7.890 ppm2      8.886 CV     1
 ASSI {  587}
   (( segid " 1SG" and resid 79   and name HN  ))
   (  segid " 1SG" and resid 76   and name HG2%)
      3.200     3.200     2.800 peak   587 spectrum    1 weight  0.10000E+01 volume  0.17033E-02 ppm1      8.974 ppm2      0.787 CV     1
 ASSI {  590}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 53   and name HA  ))
      3.700     1.700     1.700 peak   590 spectrum    1 weight  0.10000E+01 volume  0.16814E-02 ppm1      7.198 ppm2      4.042 CV     1
 ASSI {  592}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 94   and name HA  ))
      3.100     1.200     1.200 peak   592 spectrum    1 weight  0.10000E+01 volume  0.16786E-02 ppm1      7.971 ppm2      4.045 CV     1
 ASSI {  593}
   (( segid " 1SG" and resid 63   and name HN  ))
   (( segid " 1SG" and resid 63   and name HB2 ))
      3.800     1.800     1.800 peak   593 spectrum    1 weight  0.10000E+01 volume  0.16776E-02 ppm1      8.518 ppm2      2.529 CV     1
 ASSI {  595}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 76   and name HB  ))
      3.200     1.300     1.300 peak   595 spectrum    1 weight  0.10000E+01 volume  0.16663E-02 ppm1      8.888 ppm2      1.901 CV     1
 ASSI {  596}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 104  and name HA  ))
      3.000     1.100     1.100 peak   596 spectrum    1 weight  0.10000E+01 volume  0.16644E-02 ppm1      9.184 ppm2      5.418 CV     1
 ASSI {  597}
   (( segid " 1SG" and resid 18   and name HN  ))
   (( segid " 1SG" and resid 108  and name HA  ))
      3.300     1.400     1.400 peak   597 spectrum    1 weight  0.10000E+01 volume  0.16644E-02 ppm1      8.006 ppm2      4.146 CV     1
 ASSI {  599}
   (( segid " 1SG" and resid 80   and name HN  ))
   (( segid " 1SG" and resid 79   and name HA  ))
      3.000     1.100     1.100 peak   599 spectrum    1 weight  0.10000E+01 volume  0.16508E-02 ppm1      5.579 ppm2      3.659 CV     1
 ASSI {  601}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      3.900     1.900     1.900 peak   601 spectrum    1 weight  0.10000E+01 volume  0.16397E-02 ppm1      9.018 ppm2      1.461 CV     1
 ASSI {  603}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 38   and name HN  ))
      2.900     1.100     1.100 peak   603 spectrum    1 weight  0.10000E+01 volume  0.16311E-02 ppm1      8.735 ppm2      8.378 CV     1
 ASSI {  604}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 46   and name HN  ))
      2.600     0.800     0.800 peak   604 spectrum    1 weight  0.10000E+01 volume  0.16296E-02 ppm1      7.293 ppm2      8.221 CV     1
 ASSI {  608}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 78   and name HB2 ))
      3.200     1.300     1.300 peak   608 spectrum    1 weight  0.10000E+01 volume  0.16148E-02 ppm1      8.054 ppm2      2.374 CV     1
 ASSI {  611}
   (( segid " 1SG" and resid 23   and name HN  ))
   (  segid " 1SG" and resid 23   and name HG2%)
      3.900     1.900     1.900 peak   611 spectrum    1 weight  0.10000E+01 volume  0.16071E-02 ppm1      7.914 ppm2      0.771 CV     1
 ASSI {  612}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 28   and name HB  ))
      3.000     1.100     1.100 peak   612 spectrum    1 weight  0.10000E+01 volume  0.15999E-02 ppm1      9.674 ppm2      1.955 CV     1
 ASSI {  613}
   (( segid " 1SG" and resid 107  and name HN  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      3.700     1.700     1.700 peak   613 spectrum    1 weight  0.10000E+01 volume  0.15979E-02 ppm1      8.823 ppm2      0.606 CV     1
 ASSI {  614}
   (( segid " 1SG" and resid 17   and name HN  ))
   (( segid " 1SG" and resid 18   and name HN  ))
      3.600     1.700     1.700 peak   614 spectrum    1 weight  0.10000E+01 volume  0.15924E-02 ppm1      7.899 ppm2      7.995 CV     1
 ASSI {  619}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 2    and name HB2 ))
      4.200     2.200     1.800 peak   619 spectrum    1 weight  0.10000E+01 volume  0.15545E-02 ppm1      7.971 ppm2      2.674 CV     1
 ASSI {  620}
   (( segid " 1SG" and resid 107  and name HN  ))
   (  segid " 1SG" and resid 106  and name HG1%)
      4.000     2.000     2.000 peak   620 spectrum    1 weight  0.10000E+01 volume  0.15520E-02 ppm1      8.823 ppm2      0.675 CV     1
 ASSI {  622}
   (( segid " 1SG" and resid 61   and name HN  ))
   (( segid " 1SG" and resid 61   and name HB2 ))
      3.300     1.400     1.400 peak   622 spectrum    1 weight  0.10000E+01 volume  0.15417E-02 ppm1      8.177 ppm2      2.298 CV     1
 ASSI {  623}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 58   and name HG2 ))
      3.300     1.400     1.400 peak   623 spectrum    1 weight  0.10000E+01 volume  0.15412E-02 ppm1      8.941 ppm2      1.805 CV     1
 ASSI {  626}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 92   and name HA  ))
      3.100     1.200     1.200 peak   626 spectrum    1 weight  0.10000E+01 volume  0.15376E-02 ppm1      8.735 ppm2      5.242 CV     1
 ASSI {  627}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 68   and name HN  ))
      4.000     2.000     2.000 peak   627 spectrum    1 weight  0.10000E+01 volume  0.15375E-02 ppm1      8.106 ppm2      7.877 CV     1
 ASSI {  630}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 16   and name HB  ))
      3.600     1.600     1.600 peak   630 spectrum    1 weight  0.10000E+01 volume  0.15221E-02 ppm1      8.594 ppm2      1.795 CV     1
 ASSI {  631}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 97   and name HA  ))
      3.200     1.300     1.300 peak   631 spectrum    1 weight  0.10000E+01 volume  0.15221E-02 ppm1      8.062 ppm2      5.253 CV     1
 ASSI {  632}
   (( segid " 1SG" and resid 58   and name HE22))
   (( segid " 1SG" and resid 76   and name HG12))
      4.000     2.000     2.000 peak   632 spectrum    1 weight  0.10000E+01 volume  0.15206E-02 ppm1      6.684 ppm2      1.101 CV     1
 ASSI {  635}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB2 ))
      3.200     1.300     1.300 peak   635 spectrum    1 weight  0.10000E+01 volume  0.15134E-02 ppm1      8.944 ppm2      2.395 CV     1
 OR {  635}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB1 ))
 ASSI {  636}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 25   and name HB2 ))
      3.300     1.400     1.400 peak   636 spectrum    1 weight  0.10000E+01 volume  0.15076E-02 ppm1      8.404 ppm2      3.599 CV     1
 ASSI {  637}
   (( segid " 1SG" and resid 7    and name HN  ))
   (  segid " 1SG" and resid 7    and name HD% )
      3.900     1.900     1.900 peak   637 spectrum    1 weight  0.10000E+01 volume  0.15033E-02 ppm1      8.878 ppm2      7.307 CV     1
 ASSI {  638}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 75   and name HA  ))
      3.100     1.200     1.200 peak   638 spectrum    1 weight  0.10000E+01 volume  0.15016E-02 ppm1      9.154 ppm2      5.086 CV     1
 ASSI {  639}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 107  and name HD2 ))
      3.300     1.400     1.400 peak   639 spectrum    1 weight  0.10000E+01 volume  0.14982E-02 ppm1      8.593 ppm2      6.922 CV     1
 ASSI {  642}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 35   and name HD1 ))
      3.400     1.400     1.400 peak   642 spectrum    1 weight  0.10000E+01 volume  0.14892E-02 ppm1      8.373 ppm2      1.622 CV     1
 OR {  642}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 35   and name HD2 ))
 ASSI {  643}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 75   and name HN  ))
      2.900     1.100     1.100 peak   643 spectrum    1 weight  0.10000E+01 volume  0.14880E-02 ppm1      8.939 ppm2      9.154 CV     1
 ASSI {  644}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 19   and name HN  ))
      3.200     1.300     1.300 peak   644 spectrum    1 weight  0.10000E+01 volume  0.14716E-02 ppm1      8.973 ppm2      9.828 CV     1
 ASSI {  645}
   (( segid " 1SG" and resid 59   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD2%)
      3.900     1.900     1.900 peak   645 spectrum    1 weight  0.10000E+01 volume  0.14686E-02 ppm1      8.381 ppm2      0.692 CV     1
 ASSI {  646}
   (( segid " 1SG" and resid 5    and name HN  ))
   (( segid " 1SG" and resid 4    and name HA  ))
      3.400     1.400     1.400 peak   646 spectrum    1 weight  0.10000E+01 volume  0.14655E-02 ppm1      8.144 ppm2      4.009 CV     1
 ASSI {  647}
   (( segid " 1SG" and resid 77   and name HN  ))
   (( segid " 1SG" and resid 57   and name HA  ))
      4.000     2.000     2.000 peak   647 spectrum    1 weight  0.10000E+01 volume  0.14643E-02 ppm1      8.715 ppm2      5.396 CV     1
 ASSI {  649}
   (( segid " 1SG" and resid 80   and name HE22))
   (( segid " 1SG" and resid 80   and name HB2 ))
      4.000     2.000     2.000 peak   649 spectrum    1 weight  0.10000E+01 volume  0.14585E-02 ppm1      6.645 ppm2      1.953 CV     1
 OR {  649}
   (( segid " 1SG" and resid 80   and name HE22))
   (( segid " 1SG" and resid 80   and name HB1 ))
 ASSI {  651}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 94   and name HB2 ))
      2.800     1.000     1.000 peak   651 spectrum    1 weight  0.10000E+01 volume  0.14478E-02 ppm1      7.971 ppm2      1.782 CV     1
 ASSI {  652}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 11   and name HA  ))
      3.300     1.400     1.400 peak   652 spectrum    1 weight  0.10000E+01 volume  0.14418E-02 ppm1      8.398 ppm2      4.795 CV     1
 ASSI {  653}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 64   and name HB2 ))
      3.400     1.400     1.400 peak   653 spectrum    1 weight  0.10000E+01 volume  0.14379E-02 ppm1      6.898 ppm2      2.337 CV     1
 ASSI {  654}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 59   and name HG  ))
      4.000     2.000     2.000 peak   654 spectrum    1 weight  0.10000E+01 volume  0.14362E-02 ppm1      8.699 ppm2      1.425 CV     1
 ASSI {  655}
   (( segid " 1SG" and resid 7    and name HN  ))
   (( segid " 1SG" and resid 6    and name HG  ))
      3.700     1.700     1.700 peak   655 spectrum    1 weight  0.10000E+01 volume  0.14347E-02 ppm1      8.878 ppm2      1.313 CV     1
 ASSI {  656}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 68   and name HA  ))
      4.600     2.700     1.400 peak   656 spectrum    1 weight  0.10000E+01 volume  0.14323E-02 ppm1      7.420 ppm2      3.594 CV     1
 ASSI {  658}
   (( segid " 1SG" and resid 26   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD1%)
      3.200     1.300     1.300 peak   658 spectrum    1 weight  0.10000E+01 volume  0.14312E-02 ppm1      9.497 ppm2      0.841 CV     1
 ASSI {  659}
   (( segid " 1SG" and resid 103  and name HD22))
   (( segid " 1SG" and resid 103  and name HB2 ))
      4.100     2.100     1.900 peak   659 spectrum    1 weight  0.10000E+01 volume  0.14291E-02 ppm1      6.747 ppm2      2.501 CV     1
 ASSI {  660}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 24   and name HB2 ))
      3.700     1.700     1.700 peak   660 spectrum    1 weight  0.10000E+01 volume  0.14284E-02 ppm1      8.399 ppm2      2.394 CV     1
 ASSI {  662}
   (( segid " 1SG" and resid 34   and name HN  ))
   (( segid " 1SG" and resid 93   and name HA  ))
      4.000     2.000     2.000 peak   662 spectrum    1 weight  0.10000E+01 volume  0.14211E-02 ppm1      8.673 ppm2      4.763 CV     1
 ASSI {  663}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 73   and name HN  ))
      3.200     1.200     1.200 peak   663 spectrum    1 weight  0.10000E+01 volume  0.14186E-02 ppm1      8.686 ppm2      9.449 CV     1
 ASSI {  664}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 61   and name HA  ))
      3.600     1.700     1.700 peak   664 spectrum    1 weight  0.10000E+01 volume  0.14180E-02 ppm1      9.450 ppm2      5.557 CV     1
 ASSI {  665}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 24   and name HA  ))
      3.100     1.200     1.200 peak   665 spectrum    1 weight  0.10000E+01 volume  0.14179E-02 ppm1      9.240 ppm2      4.615 CV     1
 ASSI {  666}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 27   and name HB1 ))
      3.400     1.400     1.400 peak   666 spectrum    1 weight  0.10000E+01 volume  0.14061E-02 ppm1      9.672 ppm2      1.578 CV     1
 OR {  666}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 27   and name HB2 ))
 ASSI {  667}
   (( segid " 1SG" and resid 104  and name HN  ))
   (  segid " 1SG" and resid 87   and name HD% )
      3.300     1.400     1.400 peak   667 spectrum    1 weight  0.10000E+01 volume  0.14049E-02 ppm1      8.792 ppm2      6.806 CV     1
 ASSI {  668}
   (( segid " 1SG" and resid 26   and name HN  ))
   (( segid " 1SG" and resid 25   and name HB2 ))
      3.700     1.700     1.700 peak   668 spectrum    1 weight  0.10000E+01 volume  0.14006E-02 ppm1      9.497 ppm2      3.598 CV     1
 ASSI {  669}
   (( segid " 1SG" and resid 58   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
      3.400     1.500     1.500 peak   669 spectrum    1 weight  0.10000E+01 volume  0.14003E-02 ppm1      8.941 ppm2      0.604 CV     1
 OR {  669}
   (( segid " 1SG" and resid 58   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI {  670}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 3    and name HD1 ))
      4.000     2.000     2.000 peak   670 spectrum    1 weight  0.10000E+01 volume  0.13925E-02 ppm1      8.118 ppm2      3.845 CV     1
 OR {  670}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 3    and name HD2 ))
 ASSI {  672}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 93   and name HA  ))
      3.400     1.500     1.500 peak   672 spectrum    1 weight  0.10000E+01 volume  0.13888E-02 ppm1      8.375 ppm2      4.772 CV     1
 ASSI {  673}
   (( segid " 1SG" and resid 25   and name HN  ))
   (  segid " 1SG" and resid 24   and name HD% )
      4.000     2.000     2.000 peak   673 spectrum    1 weight  0.10000E+01 volume  0.13871E-02 ppm1      8.400 ppm2      6.932 CV     1
 ASSI {  676}
   (( segid " 1SG" and resid 68   and name HN  ))
   (( segid " 1SG" and resid 67   and name HA  ))
      3.500     1.500     1.500 peak   676 spectrum    1 weight  0.10000E+01 volume  0.13807E-02 ppm1      7.874 ppm2      4.297 CV     1
 ASSI {  678}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 107  and name HD2 ))
      3.200     1.300     1.300 peak   678 spectrum    1 weight  0.10000E+01 volume  0.13786E-02 ppm1      8.821 ppm2      6.922 CV     1
 ASSI {  679}
   (( segid " 1SG" and resid 8    and name HN  ))
   (( segid " 1SG" and resid 8    and name HB  ))
      3.100     1.200     1.200 peak   679 spectrum    1 weight  0.10000E+01 volume  0.13753E-02 ppm1      9.052 ppm2      1.821 CV     1
 ASSI {  680}
   (( segid " 1SG" and resid 77   and name HN  ))
   (( segid " 1SG" and resid 77   and name HB  ))
      3.600     1.600     1.600 peak   680 spectrum    1 weight  0.10000E+01 volume  0.13744E-02 ppm1      8.717 ppm2      4.008 CV     1
 ASSI {  681}
   (( segid " 1SG" and resid 23   and name HN  ))
   (( segid " 1SG" and resid 23   and name HA  ))
      3.100     1.200     1.200 peak   681 spectrum    1 weight  0.10000E+01 volume  0.13723E-02 ppm1      7.913 ppm2      5.100 CV     1
 ASSI {  682}
   (( segid " 1SG" and resid 100  and name HN  ))
   (( segid " 1SG" and resid 90   and name HA  ))
      3.700     1.700     1.700 peak   682 spectrum    1 weight  0.10000E+01 volume  0.13710E-02 ppm1      8.897 ppm2      4.788 CV     1
 ASSI {  683}
   (( segid " 1SG" and resid 76   and name HN  ))
   (( segid " 1SG" and resid 75   and name HB1 ))
      4.000     2.000     2.000 peak   683 spectrum    1 weight  0.10000E+01 volume  0.13693E-02 ppm1      8.925 ppm2      2.891 CV     1
 OR {  683}
   (( segid " 1SG" and resid 76   and name HN  ))
   (( segid " 1SG" and resid 75   and name HB2 ))
 ASSI {  684}
   (( segid " 1SG" and resid 102  and name HN  ))
   (( segid " 1SG" and resid 102  and name HA  ))
      3.200     1.300     1.300 peak   684 spectrum    1 weight  0.10000E+01 volume  0.13682E-02 ppm1      8.557 ppm2      4.989 CV     1
 ASSI {  686}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 49   and name HB2 ))
      3.800     1.800     1.800 peak   686 spectrum    1 weight  0.10000E+01 volume  0.13664E-02 ppm1      7.786 ppm2      1.548 CV     1
 ASSI {  690}
   (( segid " 1SG" and resid 64   and name HN  ))
   (( segid " 1SG" and resid 69   and name HN  ))
      3.200     1.300     1.300 peak   690 spectrum    1 weight  0.10000E+01 volume  0.13557E-02 ppm1      7.751 ppm2      6.898 CV     1
 ASSI {  691}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 33   and name HA  ))
      4.000     2.000     2.000 peak   691 spectrum    1 weight  0.10000E+01 volume  0.13549E-02 ppm1      7.509 ppm2      4.450 CV     1
 ASSI {  694}
   (( segid " 1SG" and resid 74   and name HN  ))
   (  segid " 1SG" and resid 23   and name HG2%)
      3.400     1.400     1.400 peak   694 spectrum    1 weight  0.10000E+01 volume  0.13491E-02 ppm1      8.470 ppm2      0.765 CV     1
 ASSI {  696}
   (( segid " 1SG" and resid 68   and name HN  ))
   (( segid " 1SG" and resid 65   and name HA  ))
      3.100     1.200     1.200 peak   696 spectrum    1 weight  0.10000E+01 volume  0.13429E-02 ppm1      7.878 ppm2      3.451 CV     1
 ASSI {  698}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 45   and name HB2 ))
      3.200     1.300     1.300 peak   698 spectrum    1 weight  0.10000E+01 volume  0.13347E-02 ppm1     10.115 ppm2      0.595 CV     1
 ASSI {  699}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 38   and name HB  ))
      3.900     1.900     1.900 peak   699 spectrum    1 weight  0.10000E+01 volume  0.13313E-02 ppm1      7.893 ppm2      1.891 CV     1
 ASSI {  700}
   (( segid " 1SG" and resid 26   and name HN  ))
   (( segid " 1SG" and resid 26   and name HA  ))
      3.200     1.300     1.300 peak   700 spectrum    1 weight  0.10000E+01 volume  0.13283E-02 ppm1      9.494 ppm2      4.916 CV     1
 ASSI {  701}
   (( segid " 1SG" and resid 106  and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      4.100     2.100     1.900 peak   701 spectrum    1 weight  0.10000E+01 volume  0.13278E-02 ppm1      8.148 ppm2      0.372 CV     1
 ASSI {  702}
   (( segid " 1SG" and resid 50   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD1%)
      3.600     1.600     1.600 peak   702 spectrum    1 weight  0.10000E+01 volume  0.13276E-02 ppm1      8.941 ppm2      0.855 CV     1
 ASSI {  703}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 21   and name HA  ))
      3.000     1.100     1.100 peak   703 spectrum    1 weight  0.10000E+01 volume  0.13275E-02 ppm1      8.053 ppm2      5.494 CV     1
 ASSI {  704}
   (( segid " 1SG" and resid 38   and name HN  ))
   (  segid " 1SG" and resid 93   and name HG2%)
      4.100     2.100     1.900 peak   704 spectrum    1 weight  0.10000E+01 volume  0.13255E-02 ppm1      8.372 ppm2      1.022 CV     1
 ASSI {  706}
   (( segid " 1SG" and resid 87   and name HN  ))
   (( segid " 1SG" and resid 103  and name HA  ))
      3.200     1.300     1.300 peak   706 spectrum    1 weight  0.10000E+01 volume  0.13235E-02 ppm1      9.115 ppm2      5.535 CV     1
 ASSI {  707}
   (( segid " 1SG" and resid 33   and name HN  ))
   (( segid " 1SG" and resid 33   and name HB2 ))
      3.700     1.700     1.700 peak   707 spectrum    1 weight  0.10000E+01 volume  0.13211E-02 ppm1      7.611 ppm2      1.718 CV     1
 ASSI {  708}
   (( segid " 1SG" and resid 71   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD2%)
      4.300     2.300     1.700 peak   708 spectrum    1 weight  0.10000E+01 volume  0.13195E-02 ppm1      8.723 ppm2      0.733 CV     1
 ASSI {  709}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 27   and name HB2 ))
      3.400     1.400     1.400 peak   709 spectrum    1 weight  0.10000E+01 volume  0.13188E-02 ppm1      7.888 ppm2      1.570 CV     1
 OR {  709}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 27   and name HB1 ))
 ASSI {  710}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 72   and name HA  ))
      3.500     1.500     1.500 peak   710 spectrum    1 weight  0.10000E+01 volume  0.13155E-02 ppm1      8.849 ppm2      5.367 CV     1
 ASSI {  711}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 24   and name HB2 ))
      3.100     1.200     1.200 peak   711 spectrum    1 weight  0.10000E+01 volume  0.13141E-02 ppm1      9.240 ppm2      2.394 CV     1
 ASSI {  712}
   (( segid " 1SG" and resid 19   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.800     1.800     1.800 peak   712 spectrum    1 weight  0.10000E+01 volume  0.13121E-02 ppm1      9.827 ppm2      0.372 CV     1
 ASSI {  713}
   (( segid " 1SG" and resid 72   and name HN  ))
   (( segid " 1SG" and resid 72   and name HB2 ))
      2.700     0.900     0.900 peak   713 spectrum    1 weight  0.10000E+01 volume  0.13108E-02 ppm1      9.295 ppm2      2.892 CV     1
 ASSI {  715}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 49   and name HA  ))
      3.300     1.400     1.400 peak   715 spectrum    1 weight  0.10000E+01 volume  0.13103E-02 ppm1      8.940 ppm2      3.867 CV     1
 ASSI {  716}
   (( segid " 1SG" and resid 42   and name HN  ))
   (  segid " 1SG" and resid 42   and name HD% )
      4.100     2.100     1.900 peak   716 spectrum    1 weight  0.10000E+01 volume  0.13099E-02 ppm1      9.448 ppm2      6.695 CV     1
 ASSI {  718}
   (( segid " 1SG" and resid 85   and name HN  ))
   (( segid " 1SG" and resid 104  and name HN  ))
      3.400     1.400     1.400 peak   718 spectrum    1 weight  0.10000E+01 volume  0.13065E-02 ppm1      9.408 ppm2      8.792 CV     1
 ASSI {  720}
   (( segid " 1SG" and resid 54   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
      3.700     1.700     1.700 peak   720 spectrum    1 weight  0.10000E+01 volume  0.12981E-02 ppm1      9.023 ppm2      0.598 CV     1
 OR {  720}
   (( segid " 1SG" and resid 54   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI {  725}
   (( segid " 1SG" and resid 74   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD2%)
      3.300     1.400     1.400 peak   725 spectrum    1 weight  0.10000E+01 volume  0.12941E-02 ppm1      8.471 ppm2      0.409 CV     1
 OR {  725}
   (( segid " 1SG" and resid 74   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI {  728}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (  segid " 1SG" and resid 72   and name HD% )
      3.200     1.300     1.300 peak   728 spectrum    1 weight  0.10000E+01 volume  0.12815E-02 ppm1     10.780 ppm2      7.306 CV     1
 ASSI {  729}
   (( segid " 1SG" and resid 44   and name HN  ))
   (  segid " 1SG" and resid 47   and name HG1%)
      4.200     2.200     1.800 peak   729 spectrum    1 weight  0.10000E+01 volume  0.12772E-02 ppm1      8.212 ppm2      0.992 CV     1
 ASSI {  730}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 107  and name HN  ))
      3.800     1.800     1.800 peak   730 spectrum    1 weight  0.10000E+01 volume  0.12736E-02 ppm1      8.563 ppm2      8.822 CV     1
 ASSI {  732}
   (( segid " 1SG" and resid 6    and name HN  ))
   (( segid " 1SG" and resid 7    and name HN  ))
      3.100     1.200     1.200 peak   732 spectrum    1 weight  0.10000E+01 volume  0.12712E-02 ppm1      8.450 ppm2      8.878 CV     1
 ASSI {  733}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 103  and name HB2 ))
      3.700     1.700     1.700 peak   733 spectrum    1 weight  0.10000E+01 volume  0.12701E-02 ppm1      8.794 ppm2      2.502 CV     1
 ASSI {  734}
   (( segid " 1SG" and resid 49   and name HN  ))
   (  segid " 1SG" and resid 49   and name HD2%)
      4.300     2.300     1.700 peak   734 spectrum    1 weight  0.10000E+01 volume  0.12619E-02 ppm1      9.288 ppm2      1.014 CV     1
 ASSI {  735}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (( segid " 1SG" and resid 72   and name HB2 ))
      3.400     1.400     1.400 peak   735 spectrum    1 weight  0.10000E+01 volume  0.12613E-02 ppm1     10.779 ppm2      2.895 CV     1
 ASSI {  736}
   (( segid " 1SG" and resid 19   and name HN  ))
   (( segid " 1SG" and resid 18   and name HB  ))
      3.900     1.900     1.900 peak   736 spectrum    1 weight  0.10000E+01 volume  0.12595E-02 ppm1      9.827 ppm2      1.919 CV     1
 ASSI {  737}
   (( segid " 1SG" and resid 63   and name HN  ))
   (  segid " 1SG" and resid 63   and name HD% )
      4.000     2.000     2.000 peak   737 spectrum    1 weight  0.10000E+01 volume  0.12542E-02 ppm1      8.518 ppm2      5.900 CV     1
 ASSI {  742}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 15   and name HG2 ))
      4.300     2.300     1.700 peak   742 spectrum    1 weight  0.10000E+01 volume  0.12442E-02 ppm1      8.593 ppm2      2.271 CV     1
 OR {  742}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 15   and name HG1 ))
 ASSI {  745}
   (( segid " 1SG" and resid 53   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
      3.400     1.500     1.500 peak   745 spectrum    1 weight  0.10000E+01 volume  0.12321E-02 ppm1      6.764 ppm2      0.597 CV     1
 OR {  745}
   (( segid " 1SG" and resid 53   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI {  746}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 3    and name HB2 ))
      4.200     2.200     1.800 peak   746 spectrum    1 weight  0.10000E+01 volume  0.12314E-02 ppm1      8.263 ppm2      2.285 CV     1
 OR {  746}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 3    and name HB1 ))
 ASSI {  747}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 49   and name HA  ))
      3.200     1.300     1.300 peak   747 spectrum    1 weight  0.10000E+01 volume  0.12306E-02 ppm1      7.785 ppm2      3.862 CV     1
 ASSI {  748}
   (( segid " 1SG" and resid 73   and name HN  ))
   (  segid " 1SG" and resid 72   and name HD% )
      4.100     2.100     1.900 peak   748 spectrum    1 weight  0.10000E+01 volume  0.12305E-02 ppm1      9.449 ppm2      7.306 CV     1
 ASSI {  751}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 18   and name HN  ))
      3.700     1.700     1.700 peak   751 spectrum    1 weight  0.10000E+01 volume  0.12262E-02 ppm1      8.821 ppm2      8.005 CV     1
 ASSI {  753}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 25   and name HA  ))
      3.200     1.300     1.300 peak   753 spectrum    1 weight  0.10000E+01 volume  0.12218E-02 ppm1      8.399 ppm2      5.688 CV     1
 ASSI {  754}
   (( segid " 1SG" and resid 31   and name HN  ))
   (( segid " 1SG" and resid 31   and name HA  ))
      2.900     1.100     1.100 peak   754 spectrum    1 weight  0.10000E+01 volume  0.12214E-02 ppm1      8.418 ppm2      4.164 CV     1
 ASSI {  755}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 22   and name HB  ))
      3.200     1.300     1.300 peak   755 spectrum    1 weight  0.10000E+01 volume  0.12203E-02 ppm1      8.887 ppm2      1.514 CV     1
 ASSI {  758}
   (( segid " 1SG" and resid 57   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
      3.800     1.800     1.800 peak   758 spectrum    1 weight  0.10000E+01 volume  0.12172E-02 ppm1      7.199 ppm2      0.601 CV     1
 OR {  758}
   (( segid " 1SG" and resid 57   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI {  759}
   (( segid " 1SG" and resid 83   and name HN  ))
   (  segid " 1SG" and resid 104  and name HD2%)
      3.900     1.900     1.900 peak   759 spectrum    1 weight  0.10000E+01 volume  0.12141E-02 ppm1      8.256 ppm2      0.808 CV     1
 ASSI {  760}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 9    and name HB2 ))
      3.600     1.600     1.600 peak   760 spectrum    1 weight  0.10000E+01 volume  0.12110E-02 ppm1      8.888 ppm2      1.892 CV     1
 ASSI {  762}
   (( segid " 1SG" and resid 68   and name HN  ))
   (  segid " 1SG" and resid 66   and name HB% )
      2.700     2.700     3.300 peak   762 spectrum    1 weight  0.10000E+01 volume  0.12030E-02 ppm1      7.875 ppm2      1.403 CV     1
 ASSI {  764}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 74   and name HB2 ))
      2.900     1.100     1.100 peak   764 spectrum    1 weight  0.10000E+01 volume  0.11995E-02 ppm1      8.470 ppm2     -0.840 CV     1
 ASSI {  765}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 8    and name HA  ))
      3.600     1.600     1.600 peak   765 spectrum    1 weight  0.10000E+01 volume  0.11994E-02 ppm1      7.888 ppm2      4.174 CV     1
 ASSI {  767}
   (( segid " 1SG" and resid 91   and name HN  ))
   (( segid " 1SG" and resid 91   and name HB  ))
      3.300     1.300     1.300 peak   767 spectrum    1 weight  0.10000E+01 volume  0.11928E-02 ppm1      8.474 ppm2      1.131 CV     1
 ASSI {  770}
   (( segid " 1SG" and resid 102  and name HN  ))
   (( segid " 1SG" and resid 88   and name HA  ))
      3.500     1.600     1.600 peak   770 spectrum    1 weight  0.10000E+01 volume  0.11848E-02 ppm1      8.557 ppm2      5.305 CV     1
 ASSI {  771}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 57   and name HG  ))
      4.200     2.200     1.800 peak   771 spectrum    1 weight  0.10000E+01 volume  0.11842E-02 ppm1      7.198 ppm2      0.750 CV     1
 ASSI {  772}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 73   and name HA  ))
      3.100     1.200     1.200 peak   772 spectrum    1 weight  0.10000E+01 volume  0.11840E-02 ppm1      9.448 ppm2      5.466 CV     1
 ASSI {  773}
   (( segid " 1SG" and resid 6    and name HN  ))
   (( segid " 1SG" and resid 6    and name HA  ))
      3.000     1.100     1.100 peak   773 spectrum    1 weight  0.10000E+01 volume  0.11824E-02 ppm1      8.450 ppm2      4.448 CV     1
 ASSI {  774}
   (( segid " 1SG" and resid 12   and name HE21))
   (( segid " 1SG" and resid 12   and name HA  ))
      3.100     1.200     1.200 peak   774 spectrum    1 weight  0.10000E+01 volume  0.11824E-02 ppm1      7.451 ppm2      4.687 CV     1
 ASSI {  775}
   (( segid " 1SG" and resid 10   and name HN  ))
   (( segid " 1SG" and resid 10   and name HB2 ))
      3.600     1.600     1.600 peak   775 spectrum    1 weight  0.10000E+01 volume  0.11808E-02 ppm1      8.853 ppm2      1.250 CV     1
 ASSI {  776}
   (( segid " 1SG" and resid 102  and name HN  ))
   (( segid " 1SG" and resid 87   and name HN  ))
      3.200     1.200     1.200 peak   776 spectrum    1 weight  0.10000E+01 volume  0.11793E-02 ppm1      8.557 ppm2      9.117 CV     1
 ASSI {  777}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 94   and name HG1 ))
      3.500     1.500     1.500 peak   777 spectrum    1 weight  0.10000E+01 volume  0.11779E-02 ppm1      7.971 ppm2      1.402 CV     1
 OR {  777}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 94   and name HG2 ))
 ASSI {  778}
   (( segid " 1SG" and resid 75   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
      3.600     1.600     1.600 peak   778 spectrum    1 weight  0.10000E+01 volume  0.11761E-02 ppm1      9.152 ppm2      0.609 CV     1
 OR {  778}
   (( segid " 1SG" and resid 75   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI {  779}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 49   and name HA  ))
      3.100     1.200     1.200 peak   779 spectrum    1 weight  0.10000E+01 volume  0.11738E-02 ppm1      9.288 ppm2      3.859 CV     1
 ASSI {  783}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 56   and name HB2 ))
      3.600     1.600     1.600 peak   783 spectrum    1 weight  0.10000E+01 volume  0.11713E-02 ppm1      7.198 ppm2      3.101 CV     1
 ASSI {  790}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 104  and name HA  ))
      3.100     1.200     1.200 peak   790 spectrum    1 weight  0.10000E+01 volume  0.11587E-02 ppm1      8.792 ppm2      5.431 CV     1
 ASSI {  791}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 53   and name HN  ))
      3.900     1.900     1.900 peak   791 spectrum    1 weight  0.10000E+01 volume  0.11578E-02 ppm1      9.018 ppm2      6.764 CV     1
 ASSI {  792}
   (( segid " 1SG" and resid 104  and name HN  ))
   (  segid " 1SG" and resid 87   and name HE% )
      3.500     1.500     1.500 peak   792 spectrum    1 weight  0.10000E+01 volume  0.11567E-02 ppm1      8.791 ppm2      6.590 CV     1
 ASSI {  794}
   (( segid " 1SG" and resid 84   and name HN  ))
   (( segid " 1SG" and resid 85   and name HN  ))
      3.600     1.600     1.600 peak   794 spectrum    1 weight  0.10000E+01 volume  0.11540E-02 ppm1      7.865 ppm2      9.407 CV     1
 ASSI {  799}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (  segid " 1SG" and resid 39   and name HG2%)
      3.800     1.800     1.800 peak   799 spectrum    1 weight  0.10000E+01 volume  0.11430E-02 ppm1     10.779 ppm2     -0.462 CV     1
 ASSI {  802}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 103  and name HA  ))
      3.200     1.300     1.300 peak   802 spectrum    1 weight  0.10000E+01 volume  0.11364E-02 ppm1      9.242 ppm2      5.536 CV     1
 ASSI {  803}
   (( segid " 1SG" and resid 8    and name HN  ))
   (( segid " 1SG" and resid 8    and name HA  ))
      3.300     1.400     1.400 peak   803 spectrum    1 weight  0.10000E+01 volume  0.11306E-02 ppm1      9.052 ppm2      4.174 CV     1
 ASSI {  805}
   (( segid " 1SG" and resid 30   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG2%)
      4.400     2.400     1.600 peak   805 spectrum    1 weight  0.10000E+01 volume  0.11279E-02 ppm1      8.593 ppm2      0.934 CV     1
 OR {  805}
   (( segid " 1SG" and resid 30   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG1%)
 ASSI {  807}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 57   and name HG  ))
      4.000     2.000     2.000 peak   807 spectrum    1 weight  0.10000E+01 volume  0.11207E-02 ppm1      8.941 ppm2      0.750 CV     1
 ASSI {  808}
   (( segid " 1SG" and resid 80   and name HE22))
   (  segid " 1SG" and resid 18   and name HG1%)
      4.500     2.600     1.500 peak   808 spectrum    1 weight  0.10000E+01 volume  0.11202E-02 ppm1      6.644 ppm2      0.986 CV     1
 ASSI {  810}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 59   and name HA  ))
      3.800     1.800     1.800 peak   810 spectrum    1 weight  0.10000E+01 volume  0.11147E-02 ppm1      9.150 ppm2      5.181 CV     1
 ASSI {  811}
   (( segid " 1SG" and resid 93   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.300     1.400     1.400 peak   811 spectrum    1 weight  0.10000E+01 volume  0.11135E-02 ppm1      8.558 ppm2      0.475 CV     1
 ASSI {  812}
   (( segid " 1SG" and resid 19   and name HN  ))
   (( segid " 1SG" and resid 78   and name HA  ))
      3.300     1.400     1.400 peak   812 spectrum    1 weight  0.10000E+01 volume  0.11129E-02 ppm1      9.829 ppm2      4.106 CV     1
 ASSI {  813}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 38   and name HB  ))
      3.400     1.400     1.400 peak   813 spectrum    1 weight  0.10000E+01 volume  0.11115E-02 ppm1      8.735 ppm2      1.891 CV     1
 ASSI {  814}
   (( segid " 1SG" and resid 43   and name HN  ))
   (  segid " 1SG" and resid 49   and name HD1%)
      3.500     1.500     1.500 peak   814 spectrum    1 weight  0.10000E+01 volume  0.11112E-02 ppm1      8.631 ppm2      1.759 CV     1
 ASSI {  815}
   (( segid " 1SG" and resid 6    and name HN  ))
   (( segid " 1SG" and resid 5    and name HA2 ))
      3.400     1.500     1.500 peak   815 spectrum    1 weight  0.10000E+01 volume  0.11101E-02 ppm1      8.450 ppm2      3.861 CV     1
 OR {  815}
   (( segid " 1SG" and resid 6    and name HN  ))
   (( segid " 1SG" and resid 5    and name HA1 ))
 ASSI {  816}
   (( segid " 1SG" and resid 26   and name HN  ))
   (( segid " 1SG" and resid 72   and name HN  ))
      3.200     1.300     1.300 peak   816 spectrum    1 weight  0.10000E+01 volume  0.11086E-02 ppm1      9.497 ppm2      9.294 CV     1
 ASSI {  817}
   (( segid " 1SG" and resid 46   and name HN  ))
   (( segid " 1SG" and resid 45   and name HA  ))
      3.300     1.400     1.400 peak   817 spectrum    1 weight  0.10000E+01 volume  0.11084E-02 ppm1      8.215 ppm2      3.494 CV     1
 ASSI {  819}
   (( segid " 1SG" and resid 47   and name HN  ))
   (  segid " 1SG" and resid 42   and name HD% )
      3.500     1.500     1.500 peak   819 spectrum    1 weight  0.10000E+01 volume  0.11064E-02 ppm1      7.293 ppm2      6.695 CV     1
 ASSI {  820}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 49   and name HB2 ))
      2.900     1.100     1.100 peak   820 spectrum    1 weight  0.10000E+01 volume  0.11041E-02 ppm1      9.288 ppm2      1.557 CV     1
 ASSI {  822}
   (( segid " 1SG" and resid 29   and name HN  ))
   (( segid " 1SG" and resid 7    and name HA  ))
      4.000     2.000     2.000 peak   822 spectrum    1 weight  0.10000E+01 volume  0.10961E-02 ppm1      8.855 ppm2      4.626 CV     1
 ASSI {  823}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 74   and name HN  ))
      3.400     1.400     1.400 peak   823 spectrum    1 weight  0.10000E+01 volume  0.10958E-02 ppm1      9.240 ppm2      8.469 CV     1
 ASSI {  825}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 40   and name HG2 ))
      4.600     2.600     1.400 peak   825 spectrum    1 weight  0.10000E+01 volume  0.10947E-02 ppm1      9.308 ppm2      1.241 CV     1
 OR {  825}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 40   and name HG1 ))
 ASSI {  826}
   (( segid " 1SG" and resid 64   and name HN  ))
   (  segid " 1SG" and resid 69   and name HG2%)
      4.000     2.000     2.000 peak   826 spectrum    1 weight  0.10000E+01 volume  0.10938E-02 ppm1      7.752 ppm2      0.845 CV     1
 OR {  826}
   (( segid " 1SG" and resid 64   and name HN  ))
   (  segid " 1SG" and resid 69   and name HG1%)
 ASSI {  828}
   (( segid " 1SG" and resid 58   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD1%)
      3.900     1.900     1.900 peak   828 spectrum    1 weight  0.10000E+01 volume  0.10913E-02 ppm1      8.945 ppm2      0.402 CV     1
 OR {  828}
   (( segid " 1SG" and resid 58   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD2%)
 ASSI {  829}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 42   and name HA  ))
      3.300     1.300     1.300 peak   829 spectrum    1 weight  0.10000E+01 volume  0.10903E-02 ppm1      9.289 ppm2      5.784 CV     1
 ASSI {  830}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 78   and name HB2 ))
      4.200     2.200     1.800 peak   830 spectrum    1 weight  0.10000E+01 volume  0.10874E-02 ppm1      8.973 ppm2      2.375 CV     1
 ASSI {  831}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB2 ))
      4.100     2.100     1.900 peak   831 spectrum    1 weight  0.10000E+01 volume  0.10873E-02 ppm1      8.941 ppm2      1.687 CV     1
 OR {  831}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB1 ))
 ASSI {  832}
   (( segid " 1SG" and resid 70   and name HN  ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      3.000     1.200     1.200 peak   832 spectrum    1 weight  0.10000E+01 volume  0.10865E-02 ppm1      9.273 ppm2      2.816 CV     1
 ASSI {  833}
   (( segid " 1SG" and resid 87   and name HN  ))
   (( segid " 1SG" and resid 87   and name HB2 ))
      3.200     1.300     1.300 peak   833 spectrum    1 weight  0.10000E+01 volume  0.10837E-02 ppm1      9.112 ppm2      0.700 CV     1
 ASSI {  838}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 64   and name HB2 ))
      4.300     2.300     1.700 peak   838 spectrum    1 weight  0.10000E+01 volume  0.10781E-02 ppm1      8.307 ppm2      2.338 CV     1
 ASSI {  839}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 90   and name HN  ))
      3.200     1.300     1.300 peak   839 spectrum    1 weight  0.10000E+01 volume  0.10769E-02 ppm1      8.694 ppm2      9.477 CV     1
 ASSI {  840}
   (( segid " 1SG" and resid 92   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG2%)
      4.000     2.000     2.000 peak   840 spectrum    1 weight  0.10000E+01 volume  0.10759E-02 ppm1      8.735 ppm2     -0.459 CV     1
 ASSI {  843}
   (( segid " 1SG" and resid 7    and name HN  ))
   (( segid " 1SG" and resid 7    and name HB2 ))
      3.100     1.200     1.200 peak   843 spectrum    1 weight  0.10000E+01 volume  0.10715E-02 ppm1      8.878 ppm2      2.581 CV     1
 ASSI {  844}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 69   and name HN  ))
      4.000     2.000     2.000 peak   844 spectrum    1 weight  0.10000E+01 volume  0.10703E-02 ppm1      7.422 ppm2      6.897 CV     1
 ASSI {  847}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 4    and name HN  ))
      3.700     1.700     1.700 peak   847 spectrum    1 weight  0.10000E+01 volume  0.10656E-02 ppm1      8.112 ppm2      8.269 CV     1
 ASSI {  848}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 39   and name HB  ))
      3.800     1.800     1.800 peak   848 spectrum    1 weight  0.10000E+01 volume  0.10627E-02 ppm1      8.696 ppm2      0.582 CV     1
 ASSI {  852}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 71   and name HA  ))
      3.100     1.200     1.200 peak   852 spectrum    1 weight  0.10000E+01 volume  0.10536E-02 ppm1      8.722 ppm2      5.068 CV     1
 ASSI {  853}
   (( segid " 1SG" and resid 31   and name HN  ))
   (( segid " 1SG" and resid 30   and name HN  ))
      3.200     1.300     1.300 peak   853 spectrum    1 weight  0.10000E+01 volume  0.10533E-02 ppm1      8.414 ppm2      8.590 CV     1
 ASSI {  854}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 80   and name HN  ))
      3.900     1.900     1.900 peak   854 spectrum    1 weight  0.10000E+01 volume  0.10525E-02 ppm1      8.971 ppm2      5.576 CV     1
 ASSI {  859}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 41   and name HA  ))
      3.200     1.300     1.300 peak   859 spectrum    1 weight  0.10000E+01 volume  0.10443E-02 ppm1      9.309 ppm2      5.470 CV     1
 ASSI {  860}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 73   and name HB2 ))
      3.500     1.500     1.500 peak   860 spectrum    1 weight  0.10000E+01 volume  0.10419E-02 ppm1      9.449 ppm2      1.556 CV     1
 ASSI {  861}
   (( segid " 1SG" and resid 20   and name HN  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      3.900     1.900     1.900 peak   861 spectrum    1 weight  0.10000E+01 volume  0.10408E-02 ppm1      8.825 ppm2      1.280 CV     1
 ASSI {  863}
   (( segid " 1SG" and resid 16   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      4.200     2.200     1.800 peak   863 spectrum    1 weight  0.10000E+01 volume  0.10390E-02 ppm1      8.593 ppm2      0.375 CV     1
 ASSI {  864}
   (( segid " 1SG" and resid 26   and name HN  ))
   (( segid " 1SG" and resid 73   and name HA  ))
      3.600     1.600     1.600 peak   864 spectrum    1 weight  0.10000E+01 volume  0.10368E-02 ppm1      9.497 ppm2      5.471 CV     1
 ASSI {  865}
   (( segid " 1SG" and resid 46   and name HN  ))
   (  segid " 1SG" and resid 47   and name HG1%)
      4.800     2.900     1.200 peak   865 spectrum    1 weight  0.10000E+01 volume  0.10363E-02 ppm1      8.216 ppm2      0.967 CV     1
 ASSI {  866}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 46   and name HA  ))
      3.600     1.600     1.600 peak   866 spectrum    1 weight  0.10000E+01 volume  0.10348E-02 ppm1      7.291 ppm2      4.989 CV     1
 ASSI {  872}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 52   and name HB2 ))
      3.800     1.800     1.800 peak   872 spectrum    1 weight  0.10000E+01 volume  0.10290E-02 ppm1      6.764 ppm2      1.716 CV     1
 ASSI {  873}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 76   and name HG12))
      4.100     2.100     1.900 peak   873 spectrum    1 weight  0.10000E+01 volume  0.10281E-02 ppm1      7.198 ppm2      1.092 CV     1
 ASSI {  874}
   (( segid " 1SG" and resid 71   and name HN  ))
   (  segid " 1SG" and resid 63   and name HD% )
      2.700     2.700     3.300 peak   874 spectrum    1 weight  0.10000E+01 volume  0.10256E-02 ppm1      8.724 ppm2      5.900 CV     1
 ASSI {  875}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 104  and name HB2 ))
      3.800     1.800     1.800 peak   875 spectrum    1 weight  0.10000E+01 volume  0.10249E-02 ppm1      8.793 ppm2      1.229 CV     1
 ASSI {  877}
   (( segid " 1SG" and resid 24   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD2%)
      4.200     2.200     1.800 peak   877 spectrum    1 weight  0.10000E+01 volume  0.10224E-02 ppm1      9.239 ppm2      0.410 CV     1
 OR {  877}
   (( segid " 1SG" and resid 24   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI {  879}
   (( segid " 1SG" and resid 96   and name HN  ))
   (  segid " 1SG" and resid 93   and name HG2%)
      2.700     2.700     3.300 peak   879 spectrum    1 weight  0.10000E+01 volume  0.10195E-02 ppm1      7.548 ppm2      1.025 CV     1
 ASSI {  880}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 78   and name HA  ))
      3.500     1.500     1.500 peak   880 spectrum    1 weight  0.10000E+01 volume  0.10186E-02 ppm1      8.826 ppm2      4.088 CV     1
 ASSI {  881}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 41   and name HB2 ))
      3.000     1.100     1.100 peak   881 spectrum    1 weight  0.10000E+01 volume  0.10179E-02 ppm1      9.312 ppm2      3.155 CV     1
 ASSI {  885}
   (( segid " 1SG" and resid 86   and name HN  ))
   (( segid " 1SG" and resid 87   and name HN  ))
      3.400     1.400     1.400 peak   885 spectrum    1 weight  0.10000E+01 volume  0.10119E-02 ppm1      7.947 ppm2      9.112 CV     1
 ASSI {  886}
   (( segid " 1SG" and resid 24   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
      4.400     2.400     1.600 peak   886 spectrum    1 weight  0.10000E+01 volume  0.10113E-02 ppm1      9.239 ppm2      0.619 CV     1
 OR {  886}
   (( segid " 1SG" and resid 24   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI {  888}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 105  and name HA  ))
      3.300     1.300     1.300 peak   888 spectrum    1 weight  0.10000E+01 volume  0.10096E-02 ppm1      8.397 ppm2      4.536 CV     1
 ASSI {  889}
   (( segid " 1SG" and resid 58   and name HE22))
   (  segid " 1SG" and resid 77   and name HG2%)
      3.500     1.500     1.500 peak   889 spectrum    1 weight  0.10000E+01 volume  0.10065E-02 ppm1      6.684 ppm2      1.034 CV     1
 ASSI {  890}
   (( segid " 1SG" and resid 58   and name HN  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      3.900     1.900     1.900 peak   890 spectrum    1 weight  0.10000E+01 volume  0.10057E-02 ppm1      8.939 ppm2      1.056 CV     1
 ASSI {  891}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 38   and name HN  ))
      3.900     1.900     1.900 peak   891 spectrum    1 weight  0.10000E+01 volume  0.10045E-02 ppm1      7.893 ppm2      8.374 CV     1
 ASSI {  892}
   (( segid " 1SG" and resid 14   and name HN  ))
   (  segid " 1SG" and resid 22   and name HD1%)
      4.100     2.100     1.900 peak   892 spectrum    1 weight  0.10000E+01 volume  0.10041E-02 ppm1      9.186 ppm2      0.528 CV     1
 ASSI {  894}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 28   and name HA  ))
      3.200     1.300     1.300 peak   894 spectrum    1 weight  0.10000E+01 volume  0.10015E-02 ppm1      9.673 ppm2      4.901 CV     1
 ASSI {  896}
   (( segid " 1SG" and resid 98   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.600     1.600     1.600 peak   896 spectrum    1 weight  0.10000E+01 volume  0.10011E-02 ppm1      8.417 ppm2      0.476 CV     1
 ASSI {  897}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 45   and name HA  ))
      4.400     2.500     1.600 peak   897 spectrum    1 weight  0.10000E+01 volume  0.10007E-02 ppm1      7.291 ppm2      3.498 CV     1
 ASSI {  899}
   (( segid " 1SG" and resid 80   and name HE21))
   (  segid " 1SG" and resid 18   and name HG1%)
      4.100     2.100     1.900 peak   899 spectrum    1 weight  0.10000E+01 volume  0.99965E-03 ppm1      6.984 ppm2      0.990 CV     1
 ASSI {  900}
   (( segid " 1SG" and resid 85   and name HN  ))
   (  segid " 1SG" and resid 87   and name HE% )
      3.900     1.900     1.900 peak   900 spectrum    1 weight  0.10000E+01 volume  0.99910E-03 ppm1      9.408 ppm2      6.590 CV     1
 ASSI {  902}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 14   and name HN  ))
      4.000     2.000     2.000 peak   902 spectrum    1 weight  0.10000E+01 volume  0.99809E-03 ppm1      8.503 ppm2      9.185 CV     1
 ASSI {  905}
   (( segid " 1SG" and resid 8    and name HN  ))
   (( segid " 1SG" and resid 28   and name HA  ))
      3.300     1.400     1.400 peak   905 spectrum    1 weight  0.10000E+01 volume  0.99508E-03 ppm1      9.051 ppm2      4.900 CV     1
 ASSI {  906}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 61   and name HN  ))
      4.000     2.000     2.000 peak   906 spectrum    1 weight  0.10000E+01 volume  0.99398E-03 ppm1      8.846 ppm2      8.182 CV     1
 ASSI {  911}
   (( segid " 1SG" and resid 7    and name HN  ))
   (( segid " 1SG" and resid 7    and name HA  ))
      3.400     1.500     1.500 peak   911 spectrum    1 weight  0.10000E+01 volume  0.98666E-03 ppm1      8.874 ppm2      4.632 CV     1
 ASSI {  913}
   (( segid " 1SG" and resid 100  and name HN  ))
   (( segid " 1SG" and resid 90   and name HB2 ))
      2.700     2.700     3.300 peak   913 spectrum    1 weight  0.10000E+01 volume  0.98370E-03 ppm1      8.888 ppm2      2.040 CV     1
 ASSI {  914}
   (( segid " 1SG" and resid 100  and name HN  ))
   (( segid " 1SG" and resid 99   and name HB2 ))
      3.500     1.500     1.500 peak   914 spectrum    1 weight  0.10000E+01 volume  0.98129E-03 ppm1      8.896 ppm2      2.735 CV     1
 ASSI {  915}
   (( segid " 1SG" and resid 68   and name HN  ))
   (( segid " 1SG" and resid 67   and name HB1 ))
      3.900     1.900     1.900 peak   915 spectrum    1 weight  0.10000E+01 volume  0.97868E-03 ppm1      7.872 ppm2      3.727 CV     1
 OR {  915}
   (( segid " 1SG" and resid 68   and name HN  ))
   (( segid " 1SG" and resid 67   and name HB2 ))
 ASSI {  916}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 36   and name HD2 ))
      4.300     2.300     1.700 peak   916 spectrum    1 weight  0.10000E+01 volume  0.97718E-03 ppm1      7.511 ppm2      3.495 CV     1
 ASSI {  919}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 103  and name HD22))
      3.700     1.700     1.700 peak   919 spectrum    1 weight  0.10000E+01 volume  0.97382E-03 ppm1      9.241 ppm2      6.759 CV     1
 ASSI {  920}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 16   and name HN  ))
      3.900     1.900     1.900 peak   920 spectrum    1 weight  0.10000E+01 volume  0.97362E-03 ppm1      8.401 ppm2      8.591 CV     1
 ASSI {  922}
   (( segid " 1SG" and resid 84   and name HN  ))
   (( segid " 1SG" and resid 106  and name HB  ))
      4.200     2.200     1.800 peak   922 spectrum    1 weight  0.10000E+01 volume  0.97126E-03 ppm1      7.867 ppm2      1.848 CV     1
 ASSI {  929}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 62   and name HB2 ))
      3.300     1.300     1.300 peak   929 spectrum    1 weight  0.10000E+01 volume  0.96545E-03 ppm1      8.847 ppm2      3.809 CV     1
 ASSI {  930}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 43   and name HN  ))
      3.300     1.400     1.400 peak   930 spectrum    1 weight  0.10000E+01 volume  0.96459E-03 ppm1      7.291 ppm2      8.632 CV     1
 ASSI {  931}
   (( segid " 1SG" and resid 59   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
      3.600     1.600     1.600 peak   931 spectrum    1 weight  0.10000E+01 volume  0.96429E-03 ppm1      8.380 ppm2      0.601 CV     1
 OR {  931}
   (( segid " 1SG" and resid 59   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI {  936}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (( segid " 1SG" and resid 39   and name HB  ))
      3.500     1.500     1.500 peak   936 spectrum    1 weight  0.10000E+01 volume  0.96058E-03 ppm1     10.779 ppm2      0.593 CV     1
 ASSI {  939}
   (( segid " 1SG" and resid 84   and name HN  ))
   (( segid " 1SG" and resid 81   and name HA  ))
      4.300     2.400     1.700 peak   939 spectrum    1 weight  0.10000E+01 volume  0.95677E-03 ppm1      7.866 ppm2      3.996 CV     1
 ASSI {  940}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 96   and name HG1 ))
      3.200     1.300     1.300 peak   940 spectrum    1 weight  0.10000E+01 volume  0.95672E-03 ppm1      8.106 ppm2      1.324 CV     1
 OR {  940}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 96   and name HG2 ))
 ASSI {  941}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 25   and name HA  ))
      3.600     1.600     1.600 peak   941 spectrum    1 weight  0.10000E+01 volume  0.95597E-03 ppm1      8.472 ppm2      5.686 CV     1
 ASSI {  943}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 43   and name HG2 ))
      3.400     1.500     1.500 peak   943 spectrum    1 weight  0.10000E+01 volume  0.95045E-03 ppm1      8.211 ppm2      0.071 CV     1
 ASSI {  944}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 59   and name HN  ))
      3.800     1.800     1.800 peak   944 spectrum    1 weight  0.10000E+01 volume  0.94488E-03 ppm1      8.685 ppm2      8.389 CV     1
 ASSI {  946}
   (( segid " 1SG" and resid 90   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG2%)
      4.400     2.400     1.600 peak   946 spectrum    1 weight  0.10000E+01 volume  0.93877E-03 ppm1      9.489 ppm2     -0.473 CV     1
 ASSI {  947}
   (( segid " 1SG" and resid 23   and name HN  ))
   (( segid " 1SG" and resid 22   and name HN  ))
      4.000     2.000     2.000 peak   947 spectrum    1 weight  0.10000E+01 volume  0.93661E-03 ppm1      7.911 ppm2      8.899 CV     1
 ASSI {  951}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 73   and name HB2 ))
      3.900     1.900     1.900 peak   951 spectrum    1 weight  0.10000E+01 volume  0.93144E-03 ppm1      8.467 ppm2      1.552 CV     1
 ASSI {  952}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 72   and name HB2 ))
      4.000     2.000     2.000 peak   952 spectrum    1 weight  0.10000E+01 volume  0.93034E-03 ppm1      8.896 ppm2      2.884 CV     1
 ASSI {  953}
   (( segid " 1SG" and resid 82   and name HN  ))
   (( segid " 1SG" and resid 82   and name HA  ))
      3.500     1.600     1.600 peak   953 spectrum    1 weight  0.10000E+01 volume  0.92989E-03 ppm1      8.017 ppm2      4.202 CV     1
 ASSI {  955}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 91   and name HB  ))
      4.100     2.100     1.900 peak   955 spectrum    1 weight  0.10000E+01 volume  0.92889E-03 ppm1      8.733 ppm2      1.128 CV     1
 ASSI {  958}
   (( segid " 1SG" and resid 18   and name HN  ))
   (( segid " 1SG" and resid 19   and name HN  ))
      4.100     2.100     1.900 peak   958 spectrum    1 weight  0.10000E+01 volume  0.92337E-03 ppm1      8.005 ppm2      9.828 CV     1
 ASSI {  963}
   (( segid " 1SG" and resid 72   and name HN  ))
   (( segid " 1SG" and resid 72   and name HA  ))
      3.100     1.200     1.200 peak   963 spectrum    1 weight  0.10000E+01 volume  0.91886E-03 ppm1      9.295 ppm2      5.368 CV     1
 ASSI {  964}
   (( segid " 1SG" and resid 87   and name HN  ))
   (( segid " 1SG" and resid 87   and name HA  ))
      3.400     1.400     1.400 peak   964 spectrum    1 weight  0.10000E+01 volume  0.91750E-03 ppm1      9.110 ppm2      4.975 CV     1
 ASSI {  967}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 17   and name HN  ))
      4.100     2.100     1.900 peak   967 spectrum    1 weight  0.10000E+01 volume  0.91404E-03 ppm1      8.592 ppm2      7.900 CV     1
 ASSI {  968}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 40   and name HN  ))
      3.900     1.900     1.900 peak   968 spectrum    1 weight  0.10000E+01 volume  0.91168E-03 ppm1      7.893 ppm2      8.706 CV     1
 ASSI {  971}
   (( segid " 1SG" and resid 33   and name HN  ))
   (  segid " 1SG" and resid 33   and name HD2%)
      3.700     1.700     1.700 peak   971 spectrum    1 weight  0.10000E+01 volume  0.90893E-03 ppm1      7.611 ppm2      0.876 CV     1
 OR {  971}
   (( segid " 1SG" and resid 33   and name HN  ))
   (  segid " 1SG" and resid 33   and name HD1%)
 ASSI {  972}
   (( segid " 1SG" and resid 72   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD2%)
      4.200     2.200     1.800 peak   972 spectrum    1 weight  0.10000E+01 volume  0.90862E-03 ppm1      9.295 ppm2      0.738 CV     1
 ASSI {  973}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 104  and name HG  ))
      3.400     1.500     1.500 peak   973 spectrum    1 weight  0.10000E+01 volume  0.90832E-03 ppm1      8.401 ppm2      1.329 CV     1
 ASSI {  975}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 42   and name HN  ))
      3.400     1.400     1.400 peak   975 spectrum    1 weight  0.10000E+01 volume  0.90612E-03 ppm1      9.108 ppm2      9.450 CV     1
 ASSI {  976}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 74   and name HB2 ))
      4.000     2.000     2.000 peak   976 spectrum    1 weight  0.10000E+01 volume  0.90451E-03 ppm1      9.150 ppm2     -0.838 CV     1
 ASSI {  977}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 87   and name HB2 ))
      4.100     2.100     1.900 peak   977 spectrum    1 weight  0.10000E+01 volume  0.89980E-03 ppm1      9.107 ppm2      0.710 CV     1
 ASSI {  979}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 46   and name HB2 ))
      3.700     1.800     1.800 peak   979 spectrum    1 weight  0.10000E+01 volume  0.89554E-03 ppm1      7.292 ppm2      3.055 CV     1
 ASSI {  980}
   (( segid " 1SG" and resid 10   and name HN  ))
   (( segid " 1SG" and resid 9    and name HG2 ))
      3.900     1.900     1.900 peak   980 spectrum    1 weight  0.10000E+01 volume  0.89533E-03 ppm1      8.851 ppm2      2.507 CV     1
 ASSI {  984}
   (( segid " 1SG" and resid 107  and name HN  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      4.500     2.500     1.500 peak   984 spectrum    1 weight  0.10000E+01 volume  0.88851E-03 ppm1      8.820 ppm2      1.285 CV     1
 ASSI {  986}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 52   and name HG2 ))
      4.400     2.400     1.600 peak   986 spectrum    1 weight  0.10000E+01 volume  0.88576E-03 ppm1      6.765 ppm2      1.329 CV     1
 OR {  986}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 52   and name HG1 ))
 ASSI {  990}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 77   and name HN  ))
      4.000     2.000     2.000 peak   990 spectrum    1 weight  0.10000E+01 volume  0.88235E-03 ppm1      8.053 ppm2      8.718 CV     1
 ASSI {  991}
   (( segid " 1SG" and resid 97   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.800     1.800     1.800 peak   991 spectrum    1 weight  0.10000E+01 volume  0.88199E-03 ppm1      8.063 ppm2      0.474 CV     1
 ASSI {  992}
   (( segid " 1SG" and resid 90   and name HN  ))
   (( segid " 1SG" and resid 90   and name HB2 ))
      3.400     1.400     1.400 peak   992 spectrum    1 weight  0.10000E+01 volume  0.88164E-03 ppm1      9.489 ppm2      2.034 CV     1
 ASSI {  993}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 49   and name HG  ))
      4.200     2.200     1.800 peak   993 spectrum    1 weight  0.10000E+01 volume  0.88129E-03 ppm1      8.941 ppm2      0.789 CV     1
 ASSI {  994}
   (( segid " 1SG" and resid 22   and name HN  ))
   (  segid " 1SG" and resid 77   and name HG2%)
      3.800     1.800     1.800 peak   994 spectrum    1 weight  0.10000E+01 volume  0.87929E-03 ppm1      8.888 ppm2      1.018 CV     1
 ASSI {  996}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 43   and name HB2 ))
      3.600     1.600     1.600 peak   996 spectrum    1 weight  0.10000E+01 volume  0.87783E-03 ppm1      8.628 ppm2      1.216 CV     1
 ASSI {  997}
   (( segid " 1SG" and resid 20   and name HN  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      3.600     1.600     1.600 peak   997 spectrum    1 weight  0.10000E+01 volume  0.87688E-03 ppm1      8.825 ppm2      0.602 CV     1
 ASSI {  998}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 18   and name HA  ))
      4.000     2.000     2.000 peak   998 spectrum    1 weight  0.10000E+01 volume  0.87071E-03 ppm1      8.973 ppm2      3.481 CV     1
 ASSI { 1001}
   (( segid " 1SG" and resid 28   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG2%)
      3.900     1.900     1.900 peak  1001 spectrum    1 weight  0.10000E+01 volume  0.86765E-03 ppm1      9.673 ppm2      0.941 CV     1
 OR { 1001}
   (( segid " 1SG" and resid 28   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG1%)
 ASSI { 1002}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 2    and name HA  ))
      3.900     1.900     1.900 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.86630E-03 ppm1      8.264 ppm2      4.901 CV     1
 ASSI { 1003}
   (( segid " 1SG" and resid 105  and name HN  ))
   (  segid " 1SG" and resid 104  and name HD2%)
      4.400     2.400     1.600 peak  1003 spectrum    1 weight  0.10000E+01 volume  0.85943E-03 ppm1      8.399 ppm2      0.818 CV     1
 ASSI { 1004}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 57   and name HG  ))
      3.600     1.600     1.600 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.85878E-03 ppm1      6.764 ppm2      0.753 CV     1
 ASSI { 1008}
   (( segid " 1SG" and resid 78   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      4.200     2.200     1.800 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.85632E-03 ppm1      8.053 ppm2      1.176 CV     1
 ASSI { 1009}
   (( segid " 1SG" and resid 27   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG2%)
      4.400     2.400     1.600 peak  1009 spectrum    1 weight  0.10000E+01 volume  0.85617E-03 ppm1      8.893 ppm2      0.948 CV     1
 OR { 1009}
   (( segid " 1SG" and resid 27   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG1%)
 ASSI { 1010}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 61   and name HN  ))
      4.400     2.400     1.600 peak  1010 spectrum    1 weight  0.10000E+01 volume  0.85607E-03 ppm1      8.686 ppm2      8.184 CV     1
 ASSI { 1013}
   (( segid " 1SG" and resid 46   and name HN  ))
   (( segid " 1SG" and resid 46   and name HA  ))
      3.400     1.400     1.400 peak  1013 spectrum    1 weight  0.10000E+01 volume  0.85416E-03 ppm1      8.217 ppm2      4.976 CV     1
 ASSI { 1014}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 21   and name HN  ))
      4.100     2.100     1.900 peak  1014 spectrum    1 weight  0.10000E+01 volume  0.85371E-03 ppm1      8.891 ppm2      8.169 CV     1
 ASSI { 1015}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 74   and name HA  ))
      3.200     1.300     1.300 peak  1015 spectrum    1 weight  0.10000E+01 volume  0.85316E-03 ppm1      8.470 ppm2      4.333 CV     1
 ASSI { 1016}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (  segid " 1SG" and resid 47   and name HG1%)
      4.200     2.200     1.800 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.85185E-03 ppm1     10.115 ppm2      0.962 CV     1
 ASSI { 1017}
   (( segid " 1SG" and resid 38   and name HN  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      3.600     1.600     1.600 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.84905E-03 ppm1      8.375 ppm2      0.173 CV     1
 ASSI { 1018}
   (( segid " 1SG" and resid 98   and name HN  ))
   (  segid " 1SG" and resid 97   and name HD% )
      3.700     1.700     1.700 peak  1018 spectrum    1 weight  0.10000E+01 volume  0.84714E-03 ppm1      8.417 ppm2      7.087 CV     1
 ASSI { 1019}
   (( segid " 1SG" and resid 104  and name HN  ))
   (  segid " 1SG" and resid 104  and name HD2%)
      4.200     2.200     1.800 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.84463E-03 ppm1      8.795 ppm2      0.813 CV     1
 ASSI { 1020}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 57   and name HN  ))
      3.300     1.300     1.300 peak  1020 spectrum    1 weight  0.10000E+01 volume  0.84408E-03 ppm1      7.433 ppm2      7.207 CV     1
 ASSI { 1022}
   (( segid " 1SG" and resid 101  and name HN  ))
   (( segid " 1SG" and resid 101  and name HB2 ))
      4.000     2.000     2.000 peak  1022 spectrum    1 weight  0.10000E+01 volume  0.84248E-03 ppm1      9.044 ppm2      2.699 CV     1
 ASSI { 1023}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 58   and name HN  ))
      4.000     2.000     2.000 peak  1023 spectrum    1 weight  0.10000E+01 volume  0.84197E-03 ppm1      8.380 ppm2      8.945 CV     1
 ASSI { 1026}
   (( segid " 1SG" and resid 91   and name HN  ))
   (( segid " 1SG" and resid 99   and name HA  ))
      3.900     1.900     1.900 peak  1026 spectrum    1 weight  0.10000E+01 volume  0.83786E-03 ppm1      8.474 ppm2      5.702 CV     1
 ASSI { 1027}
   (( segid " 1SG" and resid 18   and name HN  ))
   (( segid " 1SG" and resid 107  and name HB1 ))
      4.200     2.300     1.800 peak  1027 spectrum    1 weight  0.10000E+01 volume  0.83736E-03 ppm1      8.006 ppm2      3.075 CV     1
 OR { 1027}
   (( segid " 1SG" and resid 18   and name HN  ))
   (( segid " 1SG" and resid 107  and name HB2 ))
 ASSI { 1028}
   (( segid " 1SG" and resid 12   and name HN  ))
   (( segid " 1SG" and resid 11   and name HB2 ))
      3.800     1.800     1.800 peak  1028 spectrum    1 weight  0.10000E+01 volume  0.83576E-03 ppm1      8.345 ppm2      0.920 CV     1
 ASSI { 1029}
   (( segid " 1SG" and resid 42   and name HN  ))
   (( segid " 1SG" and resid 42   and name HB2 ))
      3.600     1.600     1.600 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.83566E-03 ppm1      9.448 ppm2      2.466 CV     1
 ASSI { 1031}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 70   and name HN  ))
      4.000     2.000     2.000 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.83445E-03 ppm1      6.898 ppm2      9.268 CV     1
 ASSI { 1035}
   (( segid " 1SG" and resid 84   and name HN  ))
   (( segid " 1SG" and resid 106  and name HN  ))
      4.200     2.200     1.800 peak  1035 spectrum    1 weight  0.10000E+01 volume  0.82954E-03 ppm1      7.865 ppm2      8.160 CV     1
 ASSI { 1036}
   (( segid " 1SG" and resid 51   and name HN  ))
   (( segid " 1SG" and resid 49   and name HA  ))
      3.700     1.700     1.700 peak  1036 spectrum    1 weight  0.10000E+01 volume  0.82708E-03 ppm1      7.877 ppm2      3.864 CV     1
 ASSI { 1039}
   (( segid " 1SG" and resid 65   and name HN  ))
   (  segid " 1SG" and resid 66   and name HB% )
      4.700     2.800     1.300 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.82342E-03 ppm1      8.306 ppm2      1.408 CV     1
 ASSI { 1040}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      4.300     2.300     1.700 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.82277E-03 ppm1      8.721 ppm2      2.808 CV     1
 ASSI { 1041}
   (( segid " 1SG" and resid 70   and name HN  ))
   (( segid " 1SG" and resid 69   and name HB  ))
      4.000     2.000     2.000 peak  1041 spectrum    1 weight  0.10000E+01 volume  0.82026E-03 ppm1      9.274 ppm2      1.751 CV     1
 ASSI { 1042}
   (( segid " 1SG" and resid 84   and name HN  ))
   (( segid " 1SG" and resid 83   and name HB2 ))
      4.000     2.000     2.000 peak  1042 spectrum    1 weight  0.10000E+01 volume  0.81986E-03 ppm1      7.868 ppm2      3.172 CV     1
 ASSI { 1043}
   (( segid " 1SG" and resid 30   and name HN  ))
   (  segid " 1SG" and resid 70   and name HD% )
      3.700     1.800     1.800 peak  1043 spectrum    1 weight  0.10000E+01 volume  0.81871E-03 ppm1      8.592 ppm2      7.062 CV     1
 ASSI { 1045}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 81   and name HA  ))
      3.600     1.600     1.600 peak  1045 spectrum    1 weight  0.10000E+01 volume  0.81434E-03 ppm1      8.255 ppm2      3.992 CV     1
 ASSI { 1046}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 99   and name HA  ))
      3.500     1.500     1.500 peak  1046 spectrum    1 weight  0.10000E+01 volume  0.81128E-03 ppm1      9.230 ppm2      5.702 CV     1
 ASSI { 1047}
   (( segid " 1SG" and resid 84   and name HN  ))
   (  segid " 1SG" and resid 104  and name HD2%)
      3.900     1.900     1.900 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.81098E-03 ppm1      7.867 ppm2      0.812 CV     1
 ASSI { 1049}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 54   and name HN  ))
      3.600     1.600     1.600 peak  1049 spectrum    1 weight  0.10000E+01 volume  0.80847E-03 ppm1      7.434 ppm2      9.012 CV     1
 ASSI { 1051}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 19   and name HA1 ))
      4.600     2.700     1.400 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.80677E-03 ppm1      8.051 ppm2      4.254 CV     1
 ASSI { 1052}
   (( segid " 1SG" and resid 46   and name HN  ))
   (( segid " 1SG" and resid 46   and name HB2 ))
      4.000     2.000     2.000 peak  1052 spectrum    1 weight  0.10000E+01 volume  0.80542E-03 ppm1      8.216 ppm2      3.056 CV     1
 ASSI { 1054}
   (( segid " 1SG" and resid 62   and name HN  ))
   (  segid " 1SG" and resid 72   and name HD% )
      4.200     2.200     1.800 peak  1054 spectrum    1 weight  0.10000E+01 volume  0.80291E-03 ppm1      8.848 ppm2      7.306 CV     1
 ASSI { 1055}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HD2 ))
      4.200     2.200     1.800 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.80246E-03 ppm1      8.305 ppm2      3.228 CV     1
 OR { 1055}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HD1 ))
 ASSI { 1057}
   (( segid " 1SG" and resid 72   and name HN  ))
   (  segid " 1SG" and resid 26   and name HB% )
      3.900     1.900     1.900 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.80080E-03 ppm1      9.293 ppm2      1.455 CV     1
 ASSI { 1059}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 23   and name HB  ))
      4.400     2.400     1.600 peak  1059 spectrum    1 weight  0.10000E+01 volume  0.79749E-03 ppm1      9.239 ppm2      3.585 CV     1
 ASSI { 1060}
   (( segid " 1SG" and resid 70   and name HN  ))
   (( segid " 1SG" and resid 28   and name HN  ))
      3.300     1.400     1.400 peak  1060 spectrum    1 weight  0.10000E+01 volume  0.79709E-03 ppm1      9.269 ppm2      9.678 CV     1
 ASSI { 1061}
   (( segid " 1SG" and resid 46   and name HN  ))
   (( segid " 1SG" and resid 45   and name HB2 ))
      3.600     1.600     1.600 peak  1061 spectrum    1 weight  0.10000E+01 volume  0.79604E-03 ppm1      8.213 ppm2      0.596 CV     1
 OR { 1061}
   (( segid " 1SG" and resid 46   and name HN  ))
   (( segid " 1SG" and resid 45   and name HG2 ))
 ASSI { 1062}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 74   and name HA  ))
      3.500     1.600     1.600 peak  1062 spectrum    1 weight  0.10000E+01 volume  0.79488E-03 ppm1      8.687 ppm2      4.333 CV     1
 ASSI { 1064}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 48   and name HN  ))
      4.300     2.300     1.700 peak  1064 spectrum    1 weight  0.10000E+01 volume  0.79213E-03 ppm1      7.293 ppm2      8.400 CV     1
 ASSI { 1065}
   (( segid " 1SG" and resid 85   and name HN  ))
   (( segid " 1SG" and resid 104  and name HG  ))
      3.600     1.600     1.600 peak  1065 spectrum    1 weight  0.10000E+01 volume  0.79067E-03 ppm1      9.407 ppm2      1.334 CV     1
 ASSI { 1071}
   (( segid " 1SG" and resid 7    and name HN  ))
   (( segid " 1SG" and resid 6    and name HA  ))
      3.600     1.600     1.600 peak  1071 spectrum    1 weight  0.10000E+01 volume  0.78415E-03 ppm1      8.878 ppm2      4.443 CV     1
 ASSI { 1077}
   (( segid " 1SG" and resid 62   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD2%)
      4.200     2.200     1.800 peak  1077 spectrum    1 weight  0.10000E+01 volume  0.77538E-03 ppm1      8.848 ppm2      0.735 CV     1
 ASSI { 1078}
   (( segid " 1SG" and resid 72   and name HN  ))
   (( segid " 1SG" and resid 27   and name HA  ))
      3.900     1.900     1.900 peak  1078 spectrum    1 weight  0.10000E+01 volume  0.77477E-03 ppm1      9.296 ppm2      5.831 CV     1
 ASSI { 1079}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 67   and name HB1 ))
      3.900     1.900     1.900 peak  1079 spectrum    1 weight  0.10000E+01 volume  0.77362E-03 ppm1      6.900 ppm2      3.732 CV     1
 OR { 1079}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 67   and name HB2 ))
 ASSI { 1080}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 55   and name HA  ))
      3.600     1.600     1.600 peak  1080 spectrum    1 weight  0.10000E+01 volume  0.77282E-03 ppm1      7.434 ppm2      3.988 CV     1
 ASSI { 1081}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 105  and name HB  ))
      4.000     2.000     2.000 peak  1081 spectrum    1 weight  0.10000E+01 volume  0.77252E-03 ppm1      8.593 ppm2      3.930 CV     1
 ASSI { 1082}
   (( segid " 1SG" and resid 77   and name HN  ))
   (( segid " 1SG" and resid 76   and name HB  ))
      4.200     2.200     1.800 peak  1082 spectrum    1 weight  0.10000E+01 volume  0.77227E-03 ppm1      8.711 ppm2      1.910 CV     1
 ASSI { 1083}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 21   and name HA  ))
      3.700     1.700     1.700 peak  1083 spectrum    1 weight  0.10000E+01 volume  0.77166E-03 ppm1      8.972 ppm2      5.495 CV     1
 ASSI { 1084}
   (( segid " 1SG" and resid 80   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      3.900     1.900     1.900 peak  1084 spectrum    1 weight  0.10000E+01 volume  0.77141E-03 ppm1      5.579 ppm2      1.174 CV     1
 ASSI { 1086}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 58   and name HA  ))
      3.500     1.500     1.500 peak  1086 spectrum    1 weight  0.10000E+01 volume  0.77041E-03 ppm1      9.017 ppm2      4.624 CV     1
 ASSI { 1088}
   (( segid " 1SG" and resid 85   and name HN  ))
   (  segid " 1SG" and resid 104  and name HD2%)
      3.400     1.400     1.400 peak  1088 spectrum    1 weight  0.10000E+01 volume  0.76860E-03 ppm1      9.407 ppm2      0.814 CV     1
 ASSI { 1092}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 72   and name HB2 ))
      4.200     2.200     1.800 peak  1092 spectrum    1 weight  0.10000E+01 volume  0.76424E-03 ppm1      9.451 ppm2      2.893 CV     1
 ASSI { 1095}
   (( segid " 1SG" and resid 90   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG1%)
      2.800     1.000     1.000 peak  1095 spectrum    1 weight  0.10000E+01 volume  0.35562E-02 ppm1      9.489 ppm2     -0.081 CV     1
 ASSI { 1099}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 46   and name HD1 ))
      3.700     1.700     1.700 peak  1099 spectrum    1 weight  0.10000E+01 volume  0.75351E-03 ppm1      7.291 ppm2      7.129 CV     1
 ASSI { 1101}
   (( segid " 1SG" and resid 43   and name HN  ))
   (  segid " 1SG" and resid 42   and name HD% )
      3.600     1.600     1.600 peak  1101 spectrum    1 weight  0.10000E+01 volume  0.75206E-03 ppm1      8.628 ppm2      6.700 CV     1
 ASSI { 1102}
   (( segid " 1SG" and resid 93   and name HN  ))
   (( segid " 1SG" and resid 92   and name HN  ))
      4.000     2.000     2.000 peak  1102 spectrum    1 weight  0.10000E+01 volume  0.75155E-03 ppm1      8.556 ppm2      8.734 CV     1
 ASSI { 1103}
   (( segid " 1SG" and resid 76   and name HN  ))
   (( segid " 1SG" and resid 24   and name HN  ))
      4.300     2.300     1.700 peak  1103 spectrum    1 weight  0.10000E+01 volume  0.74498E-03 ppm1      8.925 ppm2      9.242 CV     1
 ASSI { 1105}
   (( segid " 1SG" and resid 48   and name HN  ))
   (  segid " 1SG" and resid 42   and name HD% )
      4.100     2.100     1.900 peak  1105 spectrum    1 weight  0.10000E+01 volume  0.74408E-03 ppm1      8.396 ppm2      6.693 CV     1
 ASSI { 1106}
   (( segid " 1SG" and resid 90   and name HN  ))
   (( segid " 1SG" and resid 89   and name HB2 ))
      4.300     2.300     1.700 peak  1106 spectrum    1 weight  0.10000E+01 volume  0.74398E-03 ppm1      9.488 ppm2      2.324 CV     1
 ASSI { 1109}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 89   and name HB2 ))
      3.400     1.500     1.500 peak  1109 spectrum    1 weight  0.10000E+01 volume  0.74187E-03 ppm1      8.977 ppm2      2.309 CV     1
 ASSI { 1114}
   (( segid " 1SG" and resid 40   and name HN  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      5.000     3.100     1.000 peak  1114 spectrum    1 weight  0.10000E+01 volume  0.73515E-03 ppm1      8.695 ppm2      0.172 CV     1
 ASSI { 1115}
   (( segid " 1SG" and resid 96   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.700     1.700     1.700 peak  1115 spectrum    1 weight  0.10000E+01 volume  0.73169E-03 ppm1      7.545 ppm2      0.466 CV     1
 ASSI { 1116}
   (( segid " 1SG" and resid 78   and name HN  ))
   (  segid " 1SG" and resid 76   and name HG2%)
      4.000     2.000     2.000 peak  1116 spectrum    1 weight  0.10000E+01 volume  0.72828E-03 ppm1      8.055 ppm2      0.789 CV     1
 ASSI { 1117}
   (( segid " 1SG" and resid 64   and name HN  ))
   (( segid " 1SG" and resid 63   and name HB2 ))
      4.900     3.000     1.100 peak  1117 spectrum    1 weight  0.10000E+01 volume  0.72683E-03 ppm1      7.754 ppm2      2.540 CV     1
 ASSI { 1118}
   (( segid " 1SG" and resid 33   and name HN  ))
   (( segid " 1SG" and resid 32   and name HA  ))
      3.700     1.700     1.700 peak  1118 spectrum    1 weight  0.10000E+01 volume  0.72573E-03 ppm1      7.614 ppm2      4.515 CV     1
 ASSI { 1119}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 72   and name HN  ))
      4.100     2.100     1.900 peak  1119 spectrum    1 weight  0.10000E+01 volume  0.72492E-03 ppm1      9.450 ppm2      9.298 CV     1
 ASSI { 1120}
   (( segid " 1SG" and resid 50   and name HN  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      3.900     1.900     1.900 peak  1120 spectrum    1 weight  0.10000E+01 volume  0.72257E-03 ppm1      8.939 ppm2      1.056 CV     1
 ASSI { 1122}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 40   and name HD2 ))
      4.000     2.000     2.000 peak  1122 spectrum    1 weight  0.10000E+01 volume  0.72071E-03 ppm1      8.978 ppm2      1.704 CV     1
 OR { 1122}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 40   and name HD1 ))
 ASSI { 1124}
   (( segid " 1SG" and resid 84   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      4.800     2.900     1.200 peak  1124 spectrum    1 weight  0.10000E+01 volume  0.71996E-03 ppm1      7.861 ppm2      0.372 CV     1
 ASSI { 1127}
   (( segid " 1SG" and resid 30   and name HN  ))
   (  segid " 1SG" and resid 70   and name HE% )
      4.200     2.200     1.800 peak  1127 spectrum    1 weight  0.10000E+01 volume  0.71645E-03 ppm1      8.590 ppm2      6.626 CV     1
 ASSI { 1128}
   (( segid " 1SG" and resid 6    and name HN  ))
   (  segid " 1SG" and resid 6    and name HD1%)
      4.100     2.100     1.900 peak  1128 spectrum    1 weight  0.10000E+01 volume  0.71529E-03 ppm1      8.452 ppm2      0.650 CV     1
 ASSI { 1130}
   (( segid " 1SG" and resid 52   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
      4.500     2.500     1.500 peak  1130 spectrum    1 weight  0.10000E+01 volume  0.71419E-03 ppm1      7.782 ppm2      0.598 CV     1
 OR { 1130}
   (( segid " 1SG" and resid 52   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI { 1134}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 43   and name HA  ))
      3.500     1.500     1.500 peak  1134 spectrum    1 weight  0.10000E+01 volume  0.71214E-03 ppm1      8.628 ppm2      4.137 CV     1
 ASSI { 1135}
   (( segid " 1SG" and resid 102  and name HN  ))
   (  segid " 1SG" and resid 102  and name HD% )
      3.600     1.700     1.700 peak  1135 spectrum    1 weight  0.10000E+01 volume  0.71199E-03 ppm1      8.559 ppm2      6.774 CV     1
 ASSI { 1136}
   (( segid " 1SG" and resid 85   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG1%)
      4.000     2.000     2.000 peak  1136 spectrum    1 weight  0.10000E+01 volume  0.71113E-03 ppm1      9.402 ppm2      0.679 CV     1
 ASSI { 1139}
   (( segid " 1SG" and resid 97   and name HN  ))
   (  segid " 1SG" and resid 97   and name HD% )
      4.300     2.400     1.700 peak  1139 spectrum    1 weight  0.10000E+01 volume  0.70988E-03 ppm1      8.059 ppm2      7.095 CV     1
 ASSI { 1147}
   (( segid " 1SG" and resid 6    and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      4.500     2.500     1.500 peak  1147 spectrum    1 weight  0.10000E+01 volume  0.70456E-03 ppm1      8.450 ppm2      0.473 CV     1
 ASSI { 1148}
   (( segid " 1SG" and resid 100  and name HN  ))
   (( segid " 1SG" and resid 100  and name HB2 ))
      4.100     2.100     1.900 peak  1148 spectrum    1 weight  0.10000E+01 volume  0.70381E-03 ppm1      8.896 ppm2      2.949 CV     1
 ASSI { 1149}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 94   and name HD1 ))
      2.800     2.800     3.200 peak  1149 spectrum    1 weight  0.10000E+01 volume  0.70251E-03 ppm1      7.966 ppm2      1.675 CV     1
 OR { 1149}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 94   and name HD2 ))
 ASSI { 1150}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 7    and name HB2 ))
      2.900     2.900     3.100 peak  1150 spectrum    1 weight  0.10000E+01 volume  0.70226E-03 ppm1      7.886 ppm2      2.575 CV     1
 ASSI { 1151}
   (( segid " 1SG" and resid 105  and name HN  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      4.000     2.000     2.000 peak  1151 spectrum    1 weight  0.10000E+01 volume  0.70160E-03 ppm1      8.397 ppm2      0.598 CV     1
 ASSI { 1153}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 49   and name HB2 ))
      4.400     2.400     1.600 peak  1153 spectrum    1 weight  0.10000E+01 volume  0.69769E-03 ppm1      6.765 ppm2      1.541 CV     1
 ASSI { 1154}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 104  and name HG  ))
      4.000     2.000     2.000 peak  1154 spectrum    1 weight  0.10000E+01 volume  0.69719E-03 ppm1      8.795 ppm2      1.331 CV     1
 ASSI { 1155}
   (( segid " 1SG" and resid 17   and name HN  ))
   (( segid " 1SG" and resid 20   and name HA1 ))
      3.700     1.700     1.700 peak  1155 spectrum    1 weight  0.10000E+01 volume  0.69493E-03 ppm1      7.901 ppm2      3.729 CV     1
 ASSI { 1156}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 94   and name HA  ))
      4.700     2.800     1.300 peak  1156 spectrum    1 weight  0.10000E+01 volume  0.69483E-03 ppm1      7.545 ppm2      4.046 CV     1
 ASSI { 1159}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (  segid " 1SG" and resid 47   and name HG2%)
      4.400     2.400     1.600 peak  1159 spectrum    1 weight  0.10000E+01 volume  0.69398E-03 ppm1     10.119 ppm2      0.784 CV     1
 ASSI { 1160}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 29   and name HN  ))
      4.100     2.100     1.900 peak  1160 spectrum    1 weight  0.10000E+01 volume  0.69293E-03 ppm1      9.673 ppm2      8.869 CV     1
 ASSI { 1161}
   (( segid " 1SG" and resid 21   and name HN  ))
   (( segid " 1SG" and resid 77   and name HA  ))
      4.600     2.700     1.400 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.69238E-03 ppm1      8.164 ppm2      4.654 CV     1
 ASSI { 1162}
   (( segid " 1SG" and resid 64   and name HN  ))
   (( segid " 1SG" and resid 68   and name HN  ))
      4.000     2.000     2.000 peak  1162 spectrum    1 weight  0.10000E+01 volume  0.69167E-03 ppm1      7.762 ppm2      7.885 CV     1
 ASSI { 1163}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 48   and name HB2 ))
      4.300     2.300     1.700 peak  1163 spectrum    1 weight  0.10000E+01 volume  0.69132E-03 ppm1      9.289 ppm2      2.942 CV     1
 ASSI { 1166}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 104  and name HB2 ))
      4.400     2.400     1.600 peak  1166 spectrum    1 weight  0.10000E+01 volume  0.68932E-03 ppm1      8.397 ppm2      1.239 CV     1
 ASSI { 1167}
   (( segid " 1SG" and resid 8    and name HN  ))
   (  segid " 1SG" and resid 7    and name HD% )
      4.600     2.700     1.400 peak  1167 spectrum    1 weight  0.10000E+01 volume  0.68786E-03 ppm1      9.051 ppm2      7.309 CV     1
 ASSI { 1168}
   (( segid " 1SG" and resid 67   and name HN  ))
   (  segid " 1SG" and resid 69   and name HG2%)
      4.400     2.400     1.600 peak  1168 spectrum    1 weight  0.10000E+01 volume  0.68776E-03 ppm1      7.424 ppm2      0.850 CV     1
 OR { 1168}
   (( segid " 1SG" and resid 67   and name HN  ))
   (  segid " 1SG" and resid 69   and name HG1%)
 ASSI { 1170}
   (( segid " 1SG" and resid 12   and name HE21))
   (  segid " 1SG" and resid 102  and name HE% )
      3.800     3.800     2.200 peak  1170 spectrum    1 weight  0.10000E+01 volume  0.68711E-03 ppm1      7.462 ppm2      7.083 CV     1
 ASSI { 1172}
   (( segid " 1SG" and resid 86   and name HN  ))
   (( segid " 1SG" and resid 85   and name HN  ))
      4.200     2.200     1.800 peak  1172 spectrum    1 weight  0.10000E+01 volume  0.68691E-03 ppm1      7.948 ppm2      9.406 CV     1
 ASSI { 1173}
   (( segid " 1SG" and resid 90   and name HN  ))
   (( segid " 1SG" and resid 41   and name HA  ))
      4.200     2.200     1.800 peak  1173 spectrum    1 weight  0.10000E+01 volume  0.68505E-03 ppm1      9.490 ppm2      5.471 CV     1
 ASSI { 1174}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB1 ))
      4.500     2.500     1.500 peak  1174 spectrum    1 weight  0.10000E+01 volume  0.68495E-03 ppm1      7.198 ppm2      2.395 CV     1
 OR { 1174}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB2 ))
 ASSI { 1175}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 73   and name HB2 ))
      3.700     1.700     1.700 peak  1175 spectrum    1 weight  0.10000E+01 volume  0.68495E-03 ppm1      8.688 ppm2      1.552 CV     1
 ASSI { 1177}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 43   and name HD1 ))
      4.600     2.700     1.400 peak  1177 spectrum    1 weight  0.10000E+01 volume  0.68425E-03 ppm1      8.632 ppm2      1.317 CV     1
 OR { 1177}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 43   and name HD2 ))
 ASSI { 1181}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 99   and name HB2 ))
      4.000     2.000     2.000 peak  1181 spectrum    1 weight  0.10000E+01 volume  0.68084E-03 ppm1      9.230 ppm2      2.737 CV     1
 ASSI { 1183}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HA  ))
      3.400     1.400     1.400 peak  1183 spectrum    1 weight  0.10000E+01 volume  0.68059E-03 ppm1      8.888 ppm2      5.828 CV     1
 ASSI { 1187}
   (( segid " 1SG" and resid 17   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      4.300     2.300     1.700 peak  1187 spectrum    1 weight  0.10000E+01 volume  0.67959E-03 ppm1      7.900 ppm2      1.179 CV     1
 ASSI { 1193}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 96   and name HG1 ))
      4.700     2.800     1.300 peak  1193 spectrum    1 weight  0.10000E+01 volume  0.67467E-03 ppm1      7.973 ppm2      1.317 CV     1
 OR { 1193}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 96   and name HG2 ))
 ASSI { 1194}
   (( segid " 1SG" and resid 60   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD2%)
      4.300     2.300     1.700 peak  1194 spectrum    1 weight  0.10000E+01 volume  0.67267E-03 ppm1      8.688 ppm2      0.407 CV     1
 OR { 1194}
   (( segid " 1SG" and resid 60   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI { 1199}
   (( segid " 1SG" and resid 70   and name HN  ))
   (( segid " 1SG" and resid 29   and name HA  ))
      4.200     2.300     1.800 peak  1199 spectrum    1 weight  0.10000E+01 volume  0.67202E-03 ppm1      9.269 ppm2      4.385 CV     1
 ASSI { 1201}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 81   and name HA  ))
      5.400     3.700     0.600 peak  1201 spectrum    1 weight  0.10000E+01 volume  0.67066E-03 ppm1      8.150 ppm2      3.988 CV     1
 ASSI { 1205}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (  segid " 1SG" and resid 74   and name HD2%)
      4.100     2.100     1.900 peak  1205 spectrum    1 weight  0.10000E+01 volume  0.66946E-03 ppm1     10.782 ppm2      0.402 CV     1
 OR { 1205}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI { 1207}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 49   and name HB2 ))
      3.300     1.400     1.400 peak  1207 spectrum    1 weight  0.10000E+01 volume  0.66805E-03 ppm1      8.941 ppm2      1.554 CV     1
 ASSI { 1210}
   (( segid " 1SG" and resid 29   and name HN  ))
   (( segid " 1SG" and resid 28   and name HB  ))
      4.100     2.100     1.900 peak  1210 spectrum    1 weight  0.10000E+01 volume  0.66484E-03 ppm1      8.854 ppm2      1.961 CV     1
 ASSI { 1211}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 82   and name HN  ))
      3.600     1.600     1.600 peak  1211 spectrum    1 weight  0.10000E+01 volume  0.66469E-03 ppm1      8.254 ppm2      8.025 CV     1
 ASSI { 1213}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 43   and name HB2 ))
      4.200     2.200     1.800 peak  1213 spectrum    1 weight  0.10000E+01 volume  0.66113E-03 ppm1      8.211 ppm2      1.213 CV     1
 ASSI { 1214}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 15   and name HB1 ))
      4.700     2.700     1.300 peak  1214 spectrum    1 weight  0.10000E+01 volume  0.66083E-03 ppm1      8.404 ppm2      2.024 CV     1
 OR { 1214}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 15   and name HB2 ))
 ASSI { 1217}
   (( segid " 1SG" and resid 76   and name HN  ))
   (( segid " 1SG" and resid 77   and name HN  ))
      4.100     2.100     1.900 peak  1217 spectrum    1 weight  0.10000E+01 volume  0.65878E-03 ppm1      8.925 ppm2      8.720 CV     1
 ASSI { 1218}
   (( segid " 1SG" and resid 80   and name HE21))
   (( segid " 1SG" and resid 80   and name HA  ))
      3.800     1.800     1.800 peak  1218 spectrum    1 weight  0.10000E+01 volume  0.65762E-03 ppm1      6.979 ppm2      4.637 CV     1
 ASSI { 1219}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 26   and name HN  ))
      4.400     2.400     1.600 peak  1219 spectrum    1 weight  0.10000E+01 volume  0.65747E-03 ppm1      8.401 ppm2      9.500 CV     1
 ASSI { 1222}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 93   and name HB  ))
      3.800     1.800     1.800 peak  1222 spectrum    1 weight  0.10000E+01 volume  0.65496E-03 ppm1      7.972 ppm2      4.556 CV     1
 ASSI { 1223}
   (( segid " 1SG" and resid 98   and name HN  ))
   (( segid " 1SG" and resid 97   and name HB2 ))
      4.500     2.600     1.500 peak  1223 spectrum    1 weight  0.10000E+01 volume  0.65456E-03 ppm1      8.414 ppm2      2.674 CV     1
 ASSI { 1224}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 68   and name HG1 ))
      5.300     3.400     0.700 peak  1224 spectrum    1 weight  0.10000E+01 volume  0.65416E-03 ppm1      7.423 ppm2      1.256 CV     1
 OR { 1224}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 68   and name HG2 ))
 ASSI { 1225}
   (( segid " 1SG" and resid 96   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD1%)
      4.100     2.100     1.900 peak  1225 spectrum    1 weight  0.10000E+01 volume  0.65366E-03 ppm1      7.544 ppm2      0.653 CV     1
 ASSI { 1226}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 60   and name HB2 ))
      3.500     1.600     1.600 peak  1226 spectrum    1 weight  0.10000E+01 volume  0.65231E-03 ppm1      9.449 ppm2      2.977 CV     1
 ASSI { 1228}
   (( segid " 1SG" and resid 108  and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.900     1.900     1.900 peak  1228 spectrum    1 weight  0.10000E+01 volume  0.64960E-03 ppm1      8.564 ppm2      0.370 CV     1
 ASSI { 1230}
   (( segid " 1SG" and resid 30   and name HN  ))
   (( segid " 1SG" and resid 70   and name HN  ))
      3.800     1.900     1.900 peak  1230 spectrum    1 weight  0.10000E+01 volume  0.64679E-03 ppm1      8.593 ppm2      9.275 CV     1
 ASSI { 1231}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 24   and name HN  ))
      4.400     2.400     1.600 peak  1231 spectrum    1 weight  0.10000E+01 volume  0.64664E-03 ppm1      8.400 ppm2      9.240 CV     1
 ASSI { 1232}
   (( segid " 1SG" and resid 83   and name HN  ))
   (  segid " 1SG" and resid 83   and name HE% )
      4.900     3.000     1.100 peak  1232 spectrum    1 weight  0.10000E+01 volume  0.64649E-03 ppm1      8.256 ppm2      7.263 CV     1
 ASSI { 1238}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 58   and name HG2 ))
      4.300     2.300     1.700 peak  1238 spectrum    1 weight  0.10000E+01 volume  0.64243E-03 ppm1      9.148 ppm2      1.803 CV     1
 ASSI { 1239}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 40   and name HD1 ))
      4.000     2.000     2.000 peak  1239 spectrum    1 weight  0.10000E+01 volume  0.64087E-03 ppm1      9.110 ppm2      1.698 CV     1
 OR { 1239}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 40   and name HD2 ))
 ASSI { 1241}
   (( segid " 1SG" and resid 108  and name HN  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      4.400     2.400     1.600 peak  1241 spectrum    1 weight  0.10000E+01 volume  0.64047E-03 ppm1      8.565 ppm2      1.285 CV     1
 ASSI { 1245}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 41   and name HD1 ))
      4.200     2.200     1.800 peak  1245 spectrum    1 weight  0.10000E+01 volume  0.63862E-03 ppm1      8.690 ppm2      7.122 CV     1
 ASSI { 1247}
   (( segid " 1SG" and resid 58   and name HE22))
   (( segid " 1SG" and resid 77   and name HB  ))
      4.400     2.400     1.600 peak  1247 spectrum    1 weight  0.10000E+01 volume  0.63791E-03 ppm1      6.686 ppm2      4.009 CV     1
 ASSI { 1249}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 7    and name HB2 ))
      3.000     3.000     3.000 peak  1249 spectrum    1 weight  0.10000E+01 volume  0.63716E-03 ppm1      9.229 ppm2      2.578 CV     1
 ASSI { 1250}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 77   and name HN  ))
      5.000     3.100     1.000 peak  1250 spectrum    1 weight  0.10000E+01 volume  0.63686E-03 ppm1      8.944 ppm2      8.717 CV     1
 ASSI { 1258}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 74   and name HN  ))
      4.400     2.400     1.600 peak  1258 spectrum    1 weight  0.10000E+01 volume  0.63215E-03 ppm1      9.450 ppm2      8.472 CV     1
 ASSI { 1260}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 42   and name HB2 ))
      4.600     2.600     1.400 peak  1260 spectrum    1 weight  0.10000E+01 volume  0.63109E-03 ppm1      9.287 ppm2      2.479 CV     1
 ASSI { 1263}
   (( segid " 1SG" and resid 73   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD2%)
      4.300     2.300     1.700 peak  1263 spectrum    1 weight  0.10000E+01 volume  0.62833E-03 ppm1      9.448 ppm2      0.742 CV     1
 ASSI { 1264}
   (( segid " 1SG" and resid 80   and name HE22))
   (( segid " 1SG" and resid 80   and name HA  ))
      5.200     3.400     0.800 peak  1264 spectrum    1 weight  0.10000E+01 volume  0.62723E-03 ppm1      6.643 ppm2      4.635 CV     1
 ASSI { 1268}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 89   and name HA  ))
      3.600     1.600     1.600 peak  1268 spectrum    1 weight  0.10000E+01 volume  0.62623E-03 ppm1      8.977 ppm2      4.944 CV     1
 ASSI { 1269}
   (( segid " 1SG" and resid 73   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD1%)
      4.000     2.000     2.000 peak  1269 spectrum    1 weight  0.10000E+01 volume  0.62613E-03 ppm1      9.452 ppm2      0.839 CV     1
 ASSI { 1270}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 57   and name HG  ))
      4.400     2.400     1.600 peak  1270 spectrum    1 weight  0.10000E+01 volume  0.62593E-03 ppm1      9.018 ppm2      0.750 CV     1
 ASSI { 1272}
   (( segid " 1SG" and resid 53   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD1%)
      5.000     3.100     1.000 peak  1272 spectrum    1 weight  0.10000E+01 volume  0.62512E-03 ppm1      6.765 ppm2      0.861 CV     1
 ASSI { 1273}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 98   and name HB2 ))
      4.500     2.500     1.500 peak  1273 spectrum    1 weight  0.10000E+01 volume  0.62467E-03 ppm1      9.229 ppm2      2.289 CV     1
 ASSI { 1274}
   (( segid " 1SG" and resid 16   and name HN  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      4.600     2.700     1.400 peak  1274 spectrum    1 weight  0.10000E+01 volume  0.62432E-03 ppm1      8.594 ppm2      1.286 CV     1
 ASSI { 1276}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 71   and name HA  ))
      4.100     2.100     1.900 peak  1276 spectrum    1 weight  0.10000E+01 volume  0.62377E-03 ppm1      9.674 ppm2      5.062 CV     1
 ASSI { 1277}
   (( segid " 1SG" and resid 76   and name HN  ))
   (( segid " 1SG" and resid 75   and name HN  ))
      4.000     2.000     2.000 peak  1277 spectrum    1 weight  0.10000E+01 volume  0.62362E-03 ppm1      8.928 ppm2      9.150 CV     1
 ASSI { 1285}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 17   and name HN  ))
      3.800     1.800     1.800 peak  1285 spectrum    1 weight  0.10000E+01 volume  0.61540E-03 ppm1      8.829 ppm2      7.897 CV     1
 ASSI { 1286}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 65   and name HA  ))
      4.200     2.200     1.800 peak  1286 spectrum    1 weight  0.10000E+01 volume  0.61540E-03 ppm1      7.422 ppm2      3.445 CV     1
 ASSI { 1287}
   (( segid " 1SG" and resid 22   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      4.100     2.100     1.900 peak  1287 spectrum    1 weight  0.10000E+01 volume  0.61535E-03 ppm1      8.892 ppm2      1.182 CV     1
 ASSI { 1288}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 67   and name HA  ))
      4.800     2.900     1.200 peak  1288 spectrum    1 weight  0.10000E+01 volume  0.61499E-03 ppm1      8.107 ppm2      4.299 CV     1
 ASSI { 1290}
   (( segid " 1SG" and resid 70   and name HN  ))
   (( segid " 1SG" and resid 28   and name HB  ))
      3.700     1.700     1.700 peak  1290 spectrum    1 weight  0.10000E+01 volume  0.61479E-03 ppm1      9.273 ppm2      1.954 CV     1
 ASSI { 1292}
   (( segid " 1SG" and resid 101  and name HD22))
   (( segid " 1SG" and resid 101  and name HB2 ))
      4.500     2.500     1.500 peak  1292 spectrum    1 weight  0.10000E+01 volume  0.61269E-03 ppm1      6.724 ppm2      2.692 CV     1
 ASSI { 1296}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB1 ))
      4.400     2.500     1.600 peak  1296 spectrum    1 weight  0.10000E+01 volume  0.61013E-03 ppm1      9.024 ppm2      2.399 CV     1
 OR { 1296}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB2 ))
 ASSI { 1298}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 37   and name HB2 ))
      4.300     2.300     1.700 peak  1298 spectrum    1 weight  0.10000E+01 volume  0.60963E-03 ppm1      8.737 ppm2      1.365 CV     1
 OR { 1298}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 37   and name HG2 ))
 ASSI { 1301}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 106  and name HN  ))
      4.400     2.400     1.600 peak  1301 spectrum    1 weight  0.10000E+01 volume  0.60933E-03 ppm1      8.826 ppm2      8.159 CV     1
 ASSI { 1302}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 84   and name HA  ))
      4.300     2.300     1.700 peak  1302 spectrum    1 weight  0.10000E+01 volume  0.60807E-03 ppm1      8.799 ppm2      4.230 CV     1
 OR { 1302}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 84   and name HB  ))
 ASSI { 1306}
   (( segid " 1SG" and resid 40   and name HN  ))
   (  segid " 1SG" and resid 38   and name HG2%)
      4.500     2.500     1.500 peak  1306 spectrum    1 weight  0.10000E+01 volume  0.60461E-03 ppm1      8.688 ppm2      0.784 CV     1
 ASSI { 1310}
   (( segid " 1SG" and resid 93   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD1%)
      4.200     2.200     1.800 peak  1310 spectrum    1 weight  0.10000E+01 volume  0.60251E-03 ppm1      8.555 ppm2      0.652 CV     1
 ASSI { 1311}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 46   and name HB2 ))
      4.400     2.400     1.600 peak  1311 spectrum    1 weight  0.10000E+01 volume  0.60221E-03 ppm1     10.115 ppm2      3.057 CV     1
 ASSI { 1312}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      4.100     2.100     1.900 peak  1312 spectrum    1 weight  0.10000E+01 volume  0.60095E-03 ppm1      9.149 ppm2      1.436 CV     1
 ASSI { 1314}
   (( segid " 1SG" and resid 42   and name HN  ))
   (( segid " 1SG" and resid 41   and name HN  ))
      4.600     2.600     1.400 peak  1314 spectrum    1 weight  0.10000E+01 volume  0.59950E-03 ppm1      9.445 ppm2      9.310 CV     1
 ASSI { 1315}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 101  and name HA  ))
      4.200     2.200     1.800 peak  1315 spectrum    1 weight  0.10000E+01 volume  0.59940E-03 ppm1      8.979 ppm2      5.507 CV     1
 ASSI { 1317}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 45   and name HA  ))
      4.600     2.700     1.400 peak  1317 spectrum    1 weight  0.10000E+01 volume  0.59724E-03 ppm1     10.118 ppm2      3.497 CV     1
 ASSI { 1319}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 57   and name HA  ))
      4.200     2.200     1.800 peak  1319 spectrum    1 weight  0.10000E+01 volume  0.59634E-03 ppm1      9.150 ppm2      5.401 CV     1
 ASSI { 1320}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 45   and name HE2 ))
      4.000     2.000     2.000 peak  1320 spectrum    1 weight  0.10000E+01 volume  0.59609E-03 ppm1     10.108 ppm2      2.594 CV     1
 ASSI { 1323}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 58   and name HA  ))
      4.000     2.000     2.000 peak  1323 spectrum    1 weight  0.10000E+01 volume  0.59448E-03 ppm1      7.436 ppm2      4.650 CV     1
 ASSI { 1325}
   (( segid " 1SG" and resid 10   and name HN  ))
   (( segid " 1SG" and resid 10   and name HA  ))
      3.600     1.600     1.600 peak  1325 spectrum    1 weight  0.10000E+01 volume  0.59268E-03 ppm1      8.852 ppm2      4.315 CV     1
 ASSI { 1332}
   (( segid " 1SG" and resid 80   and name HN  ))
   (( segid " 1SG" and resid 80   and name HG1 ))
      4.700     2.700     1.300 peak  1332 spectrum    1 weight  0.10000E+01 volume  0.58892E-03 ppm1      5.579 ppm2      2.159 CV     1
 OR { 1332}
   (( segid " 1SG" and resid 80   and name HN  ))
   (( segid " 1SG" and resid 80   and name HG2 ))
 ASSI { 1333}
   (( segid " 1SG" and resid 21   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      4.100     2.100     1.900 peak  1333 spectrum    1 weight  0.10000E+01 volume  0.58821E-03 ppm1      8.168 ppm2      1.177 CV     1
 ASSI { 1335}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 89   and name HA  ))
      4.500     2.500     1.500 peak  1335 spectrum    1 weight  0.10000E+01 volume  0.58676E-03 ppm1      8.689 ppm2      4.943 CV     1
 ASSI { 1341}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 88   and name HA  ))
      3.600     1.600     1.600 peak  1341 spectrum    1 weight  0.10000E+01 volume  0.58109E-03 ppm1      9.108 ppm2      5.308 CV     1
 ASSI { 1347}
   (( segid " 1SG" and resid 29   and name HN  ))
   (( segid " 1SG" and resid 30   and name HN  ))
      3.300     1.300     1.300 peak  1347 spectrum    1 weight  0.10000E+01 volume  0.35470E-02 ppm1      8.854 ppm2      8.595 CV     1
 ASSI { 1348}
   (( segid " 1SG" and resid 102  and name HN  ))
   (( segid " 1SG" and resid 103  and name HN  ))
      3.200     1.300     1.300 peak  1348 spectrum    1 weight  0.10000E+01 volume  0.35489E-02 ppm1      8.557 ppm2      9.245 CV     1
 ASSI { 1349}
   (( segid " 1SG" and resid 42   and name HN  ))
   (( segid " 1SG" and resid 42   and name HA  ))
      2.700     0.900     0.900 peak  1349 spectrum    1 weight  0.10000E+01 volume  0.35470E-02 ppm1      9.447 ppm2      5.780 CV     1
 ASSI { 1351}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 14   and name HN  ))
      3.200     1.200     1.200 peak  1351 spectrum    1 weight  0.10000E+01 volume  0.35470E-02 ppm1      8.317 ppm2      9.191 CV     1
 ASSI { 1352}
   (( segid " 1SG" and resid 94   and name HN  ))
   (( segid " 1SG" and resid 94   and name HB2 ))
      3.200     1.300     1.300 peak  1352 spectrum    1 weight  0.10000E+01 volume  0.35470E-02 ppm1      8.330 ppm2      1.778 CV     1
 ASSI { 1353}
   (( segid " 1SG" and resid 93   and name HN  ))
   (( segid " 1SG" and resid 93   and name HB  ))
      2.700     0.900     0.900 peak  1353 spectrum    1 weight  0.10000E+01 volume  0.35470E-02 ppm1      8.558 ppm2      4.550 CV     1
 ASSI { 1356}
   (( segid " 1SG" and resid 56   and name HN  ))
   (( segid " 1SG" and resid 56   and name HA  ))
      2.800     1.000     1.000 peak  1356 spectrum    1 weight  0.10000E+01 volume  0.35470E-02 ppm1      8.385 ppm2      4.970 CV     1
 ASSI { 1358}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 8    and name HN  ))
      2.600     0.800     0.800 peak  1358 spectrum    1 weight  0.10000E+01 volume  0.35470E-02 ppm1      7.892 ppm2      9.052 CV     1
 ASSI { 1360}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 98   and name HN  ))
      3.400     1.400     1.400 peak  1360 spectrum    1 weight  0.10000E+01 volume  0.35470E-02 ppm1      8.056 ppm2      8.423 CV     1
 ASSI { 1361}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 104  and name HN  ))
      3.200     1.300     1.300 peak  1361 spectrum    1 weight  0.10000E+01 volume  0.35489E-02 ppm1      9.242 ppm2      8.788 CV     1
 ASSI { 1363}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB2 ))
      3.700     1.700     1.700 peak  1363 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      9.288 ppm2      1.696 CV     1
 OR { 1363}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB1 ))
 ASSI { 1365}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 35   and name HB2 ))
      3.200     1.300     1.300 peak  1365 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      7.510 ppm2      1.779 CV     1
 OR { 1365}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 35   and name HB1 ))
 ASSI { 1366}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 35   and name HE2 ))
      3.600     1.700     1.700 peak  1366 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      7.510 ppm2      2.950 CV     1
 OR { 1366}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 35   and name HE1 ))
 ASSI { 1367}
   (( segid " 1SG" and resid 45   and name HN  ))
   (( segid " 1SG" and resid 45   and name HA  ))
      2.800     1.000     1.000 peak  1367 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      8.196 ppm2      3.486 CV     1
 ASSI { 1369}
   (( segid " 1SG" and resid 45   and name HN  ))
   (( segid " 1SG" and resid 45   and name HG2 ))
      2.700     0.900     0.900 peak  1369 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      8.195 ppm2      0.606 CV     1
 OR { 1369}
   (( segid " 1SG" and resid 45   and name HN  ))
   (( segid " 1SG" and resid 45   and name HB2 ))
 ASSI { 1371}
   (( segid " 1SG" and resid 94   and name HN  ))
   (( segid " 1SG" and resid 94   and name HA  ))
      2.500     0.800     0.800 peak  1371 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      8.337 ppm2      4.042 CV     1
 ASSI { 1373}
   (( segid " 1SG" and resid 18   and name HN  ))
   (  segid " 1SG" and resid 18   and name HG1%)
      3.500     1.500     1.500 peak  1373 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      8.005 ppm2      0.992 CV     1
 ASSI { 1374}
   (( segid " 1SG" and resid 53   and name HN  ))
   (  segid " 1SG" and resid 53   and name HG1%)
      3.500     1.500     1.500 peak  1374 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      6.764 ppm2      1.120 CV     1
 ASSI { 1376}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 21   and name HB2 ))
      3.700     1.700     1.700 peak  1376 spectrum    1 weight  0.10000E+01 volume  0.35489E-02 ppm1      8.053 ppm2      3.751 CV     1
 ASSI { 1379}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 62   and name HN  ))
      3.700     1.700     1.700 peak  1379 spectrum    1 weight  0.10000E+01 volume  0.35470E-02 ppm1      9.447 ppm2      8.851 CV     1
 ASSI { 1380}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 64   and name HN  ))
      3.300     1.400     1.400 peak  1380 spectrum    1 weight  0.10000E+01 volume  0.35470E-02 ppm1      8.721 ppm2      7.751 CV     1
 ASSI { 1381}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 87   and name HN  ))
      3.000     1.100     1.100 peak  1381 spectrum    1 weight  0.10000E+01 volume  0.35470E-02 ppm1      8.792 ppm2      9.113 CV     1
 ASSI { 1384}
   (( segid " 1SG" and resid 98   and name HN  ))
   (( segid " 1SG" and resid 98   and name HA  ))
      2.800     1.000     1.000 peak  1384 spectrum    1 weight  0.10000E+01 volume  0.35470E-02 ppm1      8.417 ppm2      4.696 CV     1
 ASSI { 1385}
   (( segid " 1SG" and resid 80   and name HN  ))
   (( segid " 1SG" and resid 80   and name HA  ))
      2.700     0.900     0.900 peak  1385 spectrum    1 weight  0.10000E+01 volume  0.35470E-02 ppm1      5.581 ppm2      4.644 CV     1
 ASSI { 1386}
   (( segid " 1SG" and resid 12   and name HN  ))
   (( segid " 1SG" and resid 12   and name HA  ))
      2.800     1.000     1.000 peak  1386 spectrum    1 weight  0.10000E+01 volume  0.35470E-02 ppm1      8.345 ppm2      4.679 CV     1
 ASSI { 1391}
   (( segid " 1SG" and resid 101  and name HN  ))
   (( segid " 1SG" and resid 101  and name HA  ))
      2.700     0.900     0.900 peak  1391 spectrum    1 weight  0.10000E+01 volume  0.35470E-02 ppm1      9.044 ppm2      5.506 CV     1
 ASSI { 1393}
   (( segid " 1SG" and resid 91   and name HN  ))
   (( segid " 1SG" and resid 90   and name HA  ))
      2.600     0.800     0.800 peak  1393 spectrum    1 weight  0.10000E+01 volume  0.35470E-02 ppm1      8.474 ppm2      4.789 CV     1
 ASSI { 1395}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 49   and name HN  ))
      2.900     1.100     1.100 peak  1395 spectrum    1 weight  0.10000E+01 volume  0.35470E-02 ppm1      8.632 ppm2      9.291 CV     1
 ASSI { 1397}
   (( segid " 1SG" and resid 33   and name HN  ))
   (( segid " 1SG" and resid 33   and name HA  ))
      2.700     0.900     0.900 peak  1397 spectrum    1 weight  0.10000E+01 volume  0.35470E-02 ppm1      7.614 ppm2      4.456 CV     1
 ASSI { 1398}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 40   and name HN  ))
      3.300     1.300     1.300 peak  1398 spectrum    1 weight  0.10000E+01 volume  0.35470E-02 ppm1      9.308 ppm2      8.696 CV     1
 ASSI { 1399}
   (( segid " 1SG" and resid 6    and name HN  ))
   (( segid " 1SG" and resid 5    and name HN  ))
      2.300     0.700     0.700 peak  1399 spectrum    1 weight  0.10000E+01 volume  0.35489E-02 ppm1      8.450 ppm2      8.143 CV     1
 ASSI { 1400}
   (( segid " 1SG" and resid 8    and name HN  ))
   (( segid " 1SG" and resid 29   and name HN  ))
      3.000     1.100     1.100 peak  1400 spectrum    1 weight  0.10000E+01 volume  0.35489E-02 ppm1      9.053 ppm2      8.853 CV     1
 ASSI { 1401}
   (( segid " 1SG" and resid 7    and name HN  ))
   (( segid " 1SG" and resid 8    and name HN  ))
      3.100     1.200     1.200 peak  1401 spectrum    1 weight  0.10000E+01 volume  0.35489E-02 ppm1      8.874 ppm2      9.052 CV     1
 ASSI { 1403}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 103  and name HN  ))
      3.100     1.200     1.200 peak  1403 spectrum    1 weight  0.10000E+01 volume  0.35489E-02 ppm1      8.312 ppm2      9.240 CV     1
 ASSI { 1406}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 48   and name HN  ))
      3.200     1.300     1.300 peak  1406 spectrum    1 weight  0.10000E+01 volume  0.35489E-02 ppm1      9.290 ppm2      8.397 CV     1
 ASSI { 1407}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 50   and name HN  ))
      3.300     1.400     1.400 peak  1407 spectrum    1 weight  0.10000E+01 volume  0.35489E-02 ppm1      7.786 ppm2      8.941 CV     1
 ASSI { 1408}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 51   and name HN  ))
      3.500     1.500     1.500 peak  1408 spectrum    1 weight  0.10000E+01 volume  0.35489E-02 ppm1      6.764 ppm2      7.881 CV     1
 ASSI { 1409}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 51   and name HA  ))
      3.000     1.100     1.100 peak  1409 spectrum    1 weight  0.10000E+01 volume  0.35489E-02 ppm1      7.784 ppm2      4.557 CV     1
 ASSI { 1411}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 58   and name HN  ))
      3.100     1.200     1.200 peak  1411 spectrum    1 weight  0.10000E+01 volume  0.35489E-02 ppm1      7.198 ppm2      8.954 CV     1
 ASSI { 1412}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 60   and name HN  ))
      3.300     1.400     1.400 peak  1412 spectrum    1 weight  0.10000E+01 volume  0.35489E-02 ppm1      9.151 ppm2      8.693 CV     1
 ASSI { 1413}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 64   and name HN  ))
      3.300     1.300     1.300 peak  1413 spectrum    1 weight  0.10000E+01 volume  0.35489E-02 ppm1      8.305 ppm2      7.754 CV     1
 ASSI { 1414}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 70   and name HN  ))
      3.100     1.200     1.200 peak  1414 spectrum    1 weight  0.10000E+01 volume  0.35489E-02 ppm1      8.724 ppm2      9.271 CV     1
 ASSI { 1417}
   (( segid " 1SG" and resid 72   and name HN  ))
   (( segid " 1SG" and resid 28   and name HN  ))
      3.400     1.400     1.400 peak  1417 spectrum    1 weight  0.10000E+01 volume  0.35489E-02 ppm1      9.295 ppm2      9.670 CV     1
 ASSI { 1419}
   (( segid " 1SG" and resid 76   and name HN  ))
   (( segid " 1SG" and resid 76   and name HA  ))
      2.600     0.800     0.800 peak  1419 spectrum    1 weight  0.10000E+01 volume  0.35489E-02 ppm1      8.925 ppm2      4.988 CV     1
 ASSI { 1420}
   (( segid " 1SG" and resid 84   and name HN  ))
   (( segid " 1SG" and resid 83   and name HA  ))
      2.800     1.000     1.000 peak  1420 spectrum    1 weight  0.10000E+01 volume  0.35489E-02 ppm1      7.866 ppm2      4.601 CV     1
 ASSI { 1422}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 100  and name HN  ))
      2.700     0.900     0.900 peak  1422 spectrum    1 weight  0.10000E+01 volume  0.35489E-02 ppm1      8.979 ppm2      8.906 CV     1
 ASSI { 1423}
   (( segid " 1SG" and resid 91   and name HN  ))
   (( segid " 1SG" and resid 91   and name HA  ))
      2.600     0.800     0.800 peak  1423 spectrum    1 weight  0.10000E+01 volume  0.35489E-02 ppm1      8.474 ppm2      4.739 CV     1
 ASSI { 1424}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 97   and name HN  ))
      3.100     1.200     1.200 peak  1424 spectrum    1 weight  0.10000E+01 volume  0.35489E-02 ppm1      7.549 ppm2      8.059 CV     1
 ASSI { 1426}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 15   and name HA  ))
      2.600     0.800     0.800 peak  1426 spectrum    1 weight  0.10000E+01 volume  0.35489E-02 ppm1      8.399 ppm2      5.489 CV     1
 ASSI { 1428}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 104  and name HN  ))
      3.100     1.200     1.200 peak  1428 spectrum    1 weight  0.10000E+01 volume  0.35489E-02 ppm1      8.400 ppm2      8.792 CV     1
 ASSI { 1429}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 105  and name HN  ))
      3.000     1.100     1.100 peak  1429 spectrum    1 weight  0.10000E+01 volume  0.35489E-02 ppm1      8.150 ppm2      8.402 CV     1
 ASSI { 1430}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 85   and name HN  ))
      3.000     1.100     1.100 peak  1430 spectrum    1 weight  0.10000E+01 volume  0.35489E-02 ppm1      8.149 ppm2      9.408 CV     1
 ASSI { 1433}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 106  and name HA  ))
      2.600     0.800     0.800 peak  1433 spectrum    1 weight  0.10000E+01 volume  0.35489E-02 ppm1      8.151 ppm2      4.725 CV     1
 ASSI { 1434}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 65   and name HA  ))
      3.100     1.200     1.200 peak  1434 spectrum    1 weight  0.10000E+01 volume  0.35489E-02 ppm1      6.900 ppm2      3.449 CV     1
 ASSI { 1435}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 78   and name HN  ))
      3.800     1.800     1.800 peak  1435 spectrum    1 weight  0.10000E+01 volume  0.35489E-02 ppm1      8.889 ppm2      8.054 CV     1
 ASSI { 1437}
   (( segid " 1SG" and resid 19   and name HN  ))
   (( segid " 1SG" and resid 20   and name HA1 ))
      3.800     1.800     1.800 peak  1437 spectrum    1 weight  0.10000E+01 volume  0.35489E-02 ppm1      9.827 ppm2      3.729 CV     1
 ASSI { 1438}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 37   and name HA  ))
      3.200     1.300     1.300 peak  1438 spectrum    1 weight  0.10000E+01 volume  0.35489E-02 ppm1      8.735 ppm2      4.487 CV     1
 ASSI { 1439}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 39   and name HA  ))
      3.300     1.300     1.300 peak  1439 spectrum    1 weight  0.10000E+01 volume  0.35489E-02 ppm1      8.735 ppm2      4.801 CV     1
 ASSI { 1440}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 43   and name HA  ))
      3.100     1.200     1.200 peak  1440 spectrum    1 weight  0.10000E+01 volume  0.35489E-02 ppm1      9.108 ppm2      4.132 CV     1
 ASSI { 1441}
   (( segid " 1SG" and resid 86   and name HN  ))
   (( segid " 1SG" and resid 103  and name HA  ))
      3.100     1.200     1.200 peak  1441 spectrum    1 weight  0.10000E+01 volume  0.35489E-02 ppm1      7.948 ppm2      5.544 CV     1
 ASSI { 1442}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 48   and name HA  ))
      2.700     0.900     0.900 peak  1442 spectrum    1 weight  0.10000E+01 volume  0.35489E-02 ppm1      8.628 ppm2      4.192 CV     1
 ASSI { 1443}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 86   and name HA2 ))
      3.000     1.100     1.100 peak  1443 spectrum    1 weight  0.10000E+01 volume  0.35489E-02 ppm1      8.796 ppm2      4.658 CV     1
 ASSI { 1444}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 14   and name HN  ))
      3.000     1.100     1.100 peak  1444 spectrum    1 weight  0.10000E+01 volume  0.35489E-02 ppm1      8.400 ppm2      9.191 CV     1
 ASSI { 1445}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 102  and name HA  ))
      3.000     1.100     1.100 peak  1445 spectrum    1 weight  0.10000E+01 volume  0.35489E-02 ppm1      8.313 ppm2      4.987 CV     1
 ASSI { 1446}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 9    and name HB2 ))
      2.800     1.000     1.000 peak  1446 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      7.887 ppm2      1.892 CV     1
 ASSI { 1447}
   (( segid " 1SG" and resid 80   and name HN  ))
   (( segid " 1SG" and resid 80   and name HB1 ))
      2.600     0.900     0.900 peak  1447 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      5.579 ppm2      1.960 CV     1
 OR { 1447}
   (( segid " 1SG" and resid 80   and name HN  ))
   (( segid " 1SG" and resid 80   and name HB2 ))
 ASSI { 1448}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 23   and name HN  ))
      3.200     1.300     1.300 peak  1448 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      9.239 ppm2      7.917 CV     1
 ASSI { 1449}
   (( segid " 1SG" and resid 42   and name HN  ))
   (( segid " 1SG" and resid 41   and name HD1 ))
      3.700     3.700     2.300 peak  1449 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      9.447 ppm2      7.131 CV     1
 ASSI { 1450}
   (( segid " 1SG" and resid 46   and name HN  ))
   (( segid " 1SG" and resid 46   and name HD1 ))
      2.600     0.900     0.900 peak  1450 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      8.216 ppm2      7.132 CV     1
 ASSI { 1452}
   (( segid " 1SG" and resid 56   and name HN  ))
   (( segid " 1SG" and resid 56   and name HB2 ))
      3.300     1.300     1.300 peak  1452 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      8.383 ppm2      3.101 CV     1
 ASSI { 1453}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 103  and name HB2 ))
      3.000     3.000     3.000 peak  1453 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      9.184 ppm2      2.498 CV     1
 ASSI { 1455}
   (( segid " 1SG" and resid 86   and name HN  ))
   (  segid " 1SG" and resid 87   and name HD% )
      2.900     1.100     1.100 peak  1455 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      7.948 ppm2      6.794 CV     1
 ASSI { 1456}
   (( segid " 1SG" and resid 86   and name HN  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      3.100     3.100     2.900 peak  1456 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      7.946 ppm2      1.498 CV     1
 ASSI { 1458}
   (( segid " 1SG" and resid 5    and name HN  ))
   (( segid " 1SG" and resid 96   and name HB2 ))
      3.300     1.400     1.400 peak  1458 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      8.144 ppm2      1.572 CV     1
 ASSI { 1459}
   (( segid " 1SG" and resid 5    and name HN  ))
   (( segid " 1SG" and resid 4    and name HG12))
      3.800     1.800     1.800 peak  1459 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      8.143 ppm2      1.230 CV     1
 ASSI { 1460}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 64   and name HB2 ))
      2.900     1.000     1.000 peak  1460 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      7.421 ppm2      2.339 CV     1
 ASSI { 1461}
   (( segid " 1SG" and resid 20   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.300     1.300     1.300 peak  1461 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      8.824 ppm2      0.376 CV     1
 ASSI { 1462}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 18   and name HN  ))
      3.200     3.200     2.800 peak  1462 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      8.828 ppm2      8.005 CV     1
 ASSI { 1463}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 63   and name HN  ))
      3.300     1.400     1.400 peak  1463 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      8.848 ppm2      8.521 CV     1
 ASSI { 1465}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 95   and name HB2 ))
      2.500     0.800     0.800 peak  1465 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      7.971 ppm2      2.631 CV     1
 ASSI { 1466}
   (( segid " 1SG" and resid 95   and name HN  ))
   (  segid " 1SG" and resid 93   and name HG2%)
      2.200     2.200     3.800 peak  1466 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      7.969 ppm2      1.024 CV     1
 ASSI { 1468}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 80   and name HG2 ))
      2.800     1.000     1.000 peak  1468 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      8.254 ppm2      2.168 CV     1
 OR { 1468}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 80   and name HG1 ))
 ASSI { 1469}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 106  and name HB  ))
      3.200     1.300     1.300 peak  1469 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      8.253 ppm2      1.861 CV     1
 ASSI { 1471}
   (( segid " 1SG" and resid 83   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.100     1.200     1.200 peak  1471 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      8.254 ppm2      0.372 CV     1
 ASSI { 1472}
   (( segid " 1SG" and resid 93   and name HN  ))
   (  segid " 1SG" and resid 97   and name HD% )
      3.300     1.300     1.300 peak  1472 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      8.557 ppm2      7.094 CV     1
 ASSI { 1473}
   (( segid " 1SG" and resid 93   and name HN  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      3.000     1.100     1.100 peak  1473 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      8.557 ppm2      0.177 CV     1
 ASSI { 1476}
   (( segid " 1SG" and resid 85   and name HN  ))
   (( segid " 1SG" and resid 104  and name HB2 ))
      3.500     1.500     1.500 peak  1476 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      9.406 ppm2      1.227 CV     1
 ASSI { 1477}
   (( segid " 1SG" and resid 85   and name HN  ))
   (( segid " 1SG" and resid 103  and name HA  ))
      3.600     1.600     1.600 peak  1477 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      9.405 ppm2      5.536 CV     1
 ASSI { 1478}
   (( segid " 1SG" and resid 25   and name HN  ))
   (  segid " 1SG" and resid 23   and name HG2%)
      3.200     1.300     1.300 peak  1478 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      8.401 ppm2      0.771 CV     1
 ASSI { 1480}
   (( segid " 1SG" and resid 44   and name HN  ))
   (  segid " 1SG" and resid 87   and name HD% )
      2.700     0.900     0.900 peak  1480 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      8.211 ppm2      6.801 CV     1
 ASSI { 1482}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 43   and name HD2 ))
      3.600     1.600     1.600 peak  1482 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      8.212 ppm2      1.314 CV     1
 OR { 1482}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 43   and name HD1 ))
 ASSI { 1483}
   (( segid " 1SG" and resid 51   and name HN  ))
   (( segid " 1SG" and resid 49   and name HG  ))
      3.300     3.300     2.700 peak  1483 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      7.878 ppm2      0.784 CV     1
 ASSI { 1484}
   (( segid " 1SG" and resid 51   and name HN  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      3.200     1.300     1.300 peak  1484 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      7.879 ppm2      1.071 CV     1
 ASSI { 1485}
   (( segid " 1SG" and resid 51   and name HN  ))
   (( segid " 1SG" and resid 52   and name HB2 ))
      3.400     1.400     1.400 peak  1485 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      7.881 ppm2      1.710 CV     1
 ASSI { 1486}
   (( segid " 1SG" and resid 7    and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.600     1.600     1.600 peak  1486 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      8.875 ppm2      0.469 CV     1
 ASSI { 1488}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 48   and name HB2 ))
      3.000     1.100     1.100 peak  1488 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      8.940 ppm2      2.935 CV     1
 ASSI { 1489}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 51   and name HA  ))
      3.500     1.500     1.500 peak  1489 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      8.941 ppm2      4.555 CV     1
 ASSI { 1490}
   (( segid " 1SG" and resid 69   and name HN  ))
   (  segid " 1SG" and resid 63   and name HD% )
      3.000     3.000     3.000 peak  1490 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      6.899 ppm2      5.903 CV     1
 ASSI { 1491}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 67   and name HA  ))
      3.400     1.400     1.400 peak  1491 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      6.897 ppm2      4.292 CV     1
 ASSI { 1494}
   (( segid " 1SG" and resid 83   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      3.200     3.200     2.800 peak  1494 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      8.257 ppm2      1.183 CV     1
 ASSI { 1495}
   (( segid " 1SG" and resid 70   and name HN  ))
   (  segid " 1SG" and resid 28   and name HG2%)
      3.300     1.400     1.400 peak  1495 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      9.272 ppm2      0.629 CV     1
 ASSI { 1497}
   (( segid " 1SG" and resid 70   and name HN  ))
   (  segid " 1SG" and resid 70   and name HE% )
      3.300     1.400     1.400 peak  1497 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      9.270 ppm2      6.632 CV     1
 ASSI { 1498}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 100  and name HN  ))
      3.300     1.400     1.400 peak  1498 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      9.228 ppm2      8.896 CV     1
 ASSI { 1499}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 98   and name HN  ))
      3.300     1.400     1.400 peak  1499 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      9.228 ppm2      8.427 CV     1
 ASSI { 1501}
   (( segid " 1SG" and resid 80   and name HN  ))
   (  segid " 1SG" and resid 83   and name HE% )
      3.000     1.200     1.200 peak  1501 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      5.580 ppm2      7.264 CV     1
 ASSI { 1503}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 34   and name HN  ))
      2.500     0.800     0.800 peak  1503 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      7.510 ppm2      8.687 CV     1
 ASSI { 1504}
   (( segid " 1SG" and resid 92   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.100     1.200     1.200 peak  1504 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      8.734 ppm2      0.473 CV     1
 ASSI { 1505}
   (( segid " 1SG" and resid 92   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG1%)
      2.200     2.200     3.800 peak  1505 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      8.735 ppm2     -0.083 CV     1
 ASSI { 1506}
   (( segid " 1SG" and resid 19   and name HN  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      3.000     1.100     1.100 peak  1506 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      9.827 ppm2      0.599 CV     1
 ASSI { 1507}
   (( segid " 1SG" and resid 42   and name HN  ))
   (  segid " 1SG" and resid 49   and name HD2%)
      3.300     1.400     1.400 peak  1507 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      9.445 ppm2      1.011 CV     1
 ASSI { 1510}
   (( segid " 1SG" and resid 42   and name HN  ))
   (( segid " 1SG" and resid 41   and name HB2 ))
      3.300     1.400     1.400 peak  1510 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      9.448 ppm2      3.149 CV     1
 ASSI { 1511}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 103  and name HD21))
      2.800     1.000     1.000 peak  1511 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      9.241 ppm2      7.722 CV     1
 ASSI { 1513}
   (( segid " 1SG" and resid 79   and name HN  ))
   (  segid " 1SG" and resid 83   and name HE% )
      3.300     3.300     2.700 peak  1513 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      8.973 ppm2      7.265 CV     1
 ASSI { 1514}
   (( segid " 1SG" and resid 79   and name HN  ))
   (  segid " 1SG" and resid 83   and name HD% )
      3.400     3.400     2.600 peak  1514 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      8.973 ppm2      7.109 CV     1
 ASSI { 1515}
   (( segid " 1SG" and resid 79   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.200     1.300     1.300 peak  1515 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      8.973 ppm2      0.382 CV     1
 ASSI { 1518}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HD1 ))
      3.200     1.300     1.300 peak  1518 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      8.896 ppm2      3.106 CV     1
 OR { 1518}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HD2 ))
 ASSI { 1519}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 9    and name HG2 ))
      3.000     3.000     3.000 peak  1519 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      8.892 ppm2      2.504 CV     1
 ASSI { 1520}
   (( segid " 1SG" and resid 100  and name HN  ))
   (( segid " 1SG" and resid 89   and name HB2 ))
      2.900     1.100     1.100 peak  1520 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      8.895 ppm2      2.307 CV     1
 ASSI { 1521}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HG1 ))
      2.700     0.900     0.900 peak  1521 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      8.890 ppm2      1.675 CV     1
 OR { 1521}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HG2 ))
 ASSI { 1522}
   (( segid " 1SG" and resid 27   and name HN  ))
   (  segid " 1SG" and resid 28   and name HG2%)
      2.900     2.900     3.100 peak  1522 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      8.891 ppm2      0.632 CV     1
 ASSI { 1523}
   (( segid " 1SG" and resid 94   and name HN  ))
   (( segid " 1SG" and resid 93   and name HB  ))
      2.600     0.800     0.800 peak  1523 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      8.338 ppm2      4.555 CV     1
 ASSI { 1526}
   (( segid " 1SG" and resid 17   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.100     3.100     2.900 peak  1526 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      7.898 ppm2      0.371 CV     1
 ASSI { 1527}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 61   and name HB2 ))
      2.200     2.200     3.800 peak  1527 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      9.450 ppm2      2.295 CV     1
 ASSI { 1530}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 60   and name HA  ))
      3.000     3.000     3.000 peak  1530 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      9.450 ppm2      5.073 CV     1
 ASSI { 1534}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 16   and name HB  ))
      3.300     3.300     2.700 peak  1534 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      8.502 ppm2      1.802 CV     1
 ASSI { 1535}
   (( segid " 1SG" and resid 38   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG2%)
      3.000     1.100     1.100 peak  1535 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      8.374 ppm2     -0.453 CV     1
 ASSI { 1537}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 68   and name HA  ))
      4.000     2.000     2.000 peak  1537 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      8.106 ppm2      3.600 CV     1
 ASSI { 1538}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 65   and name HD2 ))
      2.200     2.200     3.800 peak  1538 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      8.106 ppm2      3.228 CV     1
 OR { 1538}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 65   and name HD1 ))
 ASSI { 1539}
   (( segid " 1SG" and resid 84   and name HN  ))
   (  segid " 1SG" and resid 83   and name HD% )
      3.500     1.600     1.600 peak  1539 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      7.866 ppm2      7.112 CV     1
 ASSI { 1540}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 74   and name HA  ))
      3.400     1.400     1.400 peak  1540 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      8.940 ppm2      4.324 CV     1
 ASSI { 1542}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 22   and name HG12))
      3.400     3.400     2.600 peak  1542 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      8.888 ppm2      0.075 CV     1
 ASSI { 1543}
   (( segid " 1SG" and resid 104  and name HN  ))
   (  segid " 1SG" and resid 106  and name HG1%)
      3.300     3.300     2.700 peak  1543 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      8.793 ppm2      0.667 CV     1
 ASSI { 1549}
   (( segid " 1SG" and resid 26   and name HN  ))
   (( segid " 1SG" and resid 27   and name HN  ))
      3.200     1.300     1.300 peak  1549 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      9.498 ppm2      8.892 CV     1
 ASSI { 1550}
   (( segid " 1SG" and resid 26   and name HN  ))
   (  segid " 1SG" and resid 72   and name HD% )
      3.400     3.400     2.600 peak  1550 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      9.498 ppm2      7.311 CV     1
 ASSI { 1552}
   (( segid " 1SG" and resid 41   and name HN  ))
   (  segid " 1SG" and resid 49   and name HD2%)
      3.500     3.500     2.500 peak  1552 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      9.306 ppm2      1.018 CV     1
 ASSI { 1553}
   (( segid " 1SG" and resid 41   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD1%)
      3.100     1.200     1.200 peak  1553 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      9.307 ppm2      0.856 CV     1
 ASSI { 1554}
   (( segid " 1SG" and resid 41   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD2%)
      3.500     1.500     1.500 peak  1554 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      9.307 ppm2      0.688 CV     1
 ASSI { 1555}
   (( segid " 1SG" and resid 41   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG1%)
      3.100     1.200     1.200 peak  1555 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      9.308 ppm2     -0.081 CV     1
 ASSI { 1557}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 74   and name HB2 ))
      2.500     0.800     0.800 peak  1557 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      9.237 ppm2     -0.838 CV     1
 ASSI { 1560}
   (( segid " 1SG" and resid 76   and name HN  ))
   (  segid " 1SG" and resid 76   and name HD1%)
      3.300     1.300     1.300 peak  1560 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      8.926 ppm2      0.649 CV     1
 ASSI { 1561}
   (( segid " 1SG" and resid 76   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD1%)
      3.200     3.200     2.800 peak  1561 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      8.926 ppm2      0.405 CV     1
 ASSI { 1563}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 90   and name HB2 ))
      3.100     1.200     1.200 peak  1563 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      8.696 ppm2      2.025 CV     1
 ASSI { 1564}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 40   and name HD1 ))
      3.500     1.600     1.600 peak  1564 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      8.694 ppm2      1.685 CV     1
 OR { 1564}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 40   and name HD2 ))
 ASSI { 1565}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 40   and name HG2 ))
      2.400     0.700     0.700 peak  1565 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      8.694 ppm2      1.238 CV     1
 OR { 1565}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 40   and name HG1 ))
 ASSI { 1566}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 41   and name HH2 ))
      2.900     2.900     3.100 peak  1566 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      8.470 ppm2      6.611 CV     1
 ASSI { 1570}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 75   and name HN  ))
      3.400     1.400     1.400 peak  1570 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      8.471 ppm2      9.160 CV     1
 ASSI { 1572}
   (( segid " 1SG" and resid 8    and name HN  ))
   (  segid " 1SG" and resid 28   and name HG1%)
      3.300     1.400     1.400 peak  1572 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      9.052 ppm2      0.818 CV     1
 ASSI { 1573}
   (( segid " 1SG" and resid 8    and name HN  ))
   (  segid " 1SG" and resid 29   and name HB% )
      3.800     1.800     1.800 peak  1573 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      9.052 ppm2      1.513 CV     1
 ASSI { 1574}
   (( segid " 1SG" and resid 8    and name HN  ))
   (( segid " 1SG" and resid 7    and name HB2 ))
      3.500     1.500     1.500 peak  1574 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      9.052 ppm2      2.577 CV     1
 ASSI { 1576}
   (( segid " 1SG" and resid 87   and name HN  ))
   (  segid " 1SG" and resid 87   and name HE% )
      3.700     1.700     1.700 peak  1576 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      9.114 ppm2      6.589 CV     1
 ASSI { 1577}
   (( segid " 1SG" and resid 31   and name HN  ))
   (( segid " 1SG" and resid 29   and name HA  ))
      3.000     1.100     1.100 peak  1577 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      8.417 ppm2      4.392 CV     1
 ASSI { 1578}
   (( segid " 1SG" and resid 31   and name HN  ))
   (( segid " 1SG" and resid 30   and name HA1 ))
      2.400     0.800     0.800 peak  1578 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      8.418 ppm2      3.945 CV     1
 ASSI { 1579}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 62   and name HA  ))
      3.100     1.200     1.200 peak  1579 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      8.722 ppm2      4.598 CV     1
 ASSI { 1582}
   (( segid " 1SG" and resid 10   and name HN  ))
   (( segid " 1SG" and resid 9    and name HB2 ))
      3.400     1.400     1.400 peak  1582 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      8.852 ppm2      1.895 CV     1
 ASSI { 1583}
   (( segid " 1SG" and resid 10   and name HN  ))
   (( segid " 1SG" and resid 100  and name HB2 ))
      3.400     3.400     2.600 peak  1583 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      8.852 ppm2      2.963 CV     1
 ASSI { 1584}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (( segid " 1SG" and resid 41   and name HH2 ))
      3.600     1.600     1.600 peak  1584 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1     10.779 ppm2      6.612 CV     1
 ASSI { 1585}
   (( segid " 1SG" and resid 21   and name HN  ))
   (( segid " 1SG" and resid 21   and name HB2 ))
      3.000     1.100     1.100 peak  1585 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      8.170 ppm2      3.751 CV     1
 ASSI { 1587}
   (( segid " 1SG" and resid 23   and name HN  ))
   (  segid " 1SG" and resid 22   and name HG2%)
      3.100     1.200     1.200 peak  1587 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      7.913 ppm2      0.580 CV     1
 ASSI { 1588}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      2.600     0.900     0.900 peak  1588 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      9.673 ppm2      2.815 CV     1
 ASSI { 1589}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 37   and name HB2 ))
      3.000     1.100     1.100 peak  1589 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      7.892 ppm2      1.363 CV     1
 OR { 1589}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 37   and name HG2 ))
 ASSI { 1590}
   (( segid " 1SG" and resid 39   and name HN  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      3.300     1.400     1.400 peak  1590 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      7.893 ppm2      0.175 CV     1
 ASSI { 1592}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 93   and name HB  ))
      2.700     0.900     0.900 peak  1592 spectrum    1 weight  0.10000E+01 volume  0.35562E-02 ppm1      7.547 ppm2      4.555 CV     1
 ASSI { 1593}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 95   and name HB2 ))
      3.300     1.300     1.300 peak  1593 spectrum    1 weight  0.10000E+01 volume  0.35562E-02 ppm1      7.546 ppm2      2.632 CV     1
 ASSI { 1595}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 95   and name HA  ))
      2.900     1.100     1.100 peak  1595 spectrum    1 weight  0.10000E+01 volume  0.35562E-02 ppm1      7.548 ppm2      4.750 CV     1
 ASSI { 1596}
   (( segid " 1SG" and resid 98   and name HN  ))
   (( segid " 1SG" and resid 7    and name HB2 ))
      3.200     3.200     2.800 peak  1596 spectrum    1 weight  0.10000E+01 volume  0.35562E-02 ppm1      8.415 ppm2      2.581 CV     1
 ASSI { 1597}
   (( segid " 1SG" and resid 101  and name HN  ))
   (( segid " 1SG" and resid 100  and name HB2 ))
      2.900     1.000     1.000 peak  1597 spectrum    1 weight  0.10000E+01 volume  0.35562E-02 ppm1      9.044 ppm2      2.950 CV     1
 ASSI { 1598}
   (( segid " 1SG" and resid 105  and name HN  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      3.200     1.300     1.300 peak  1598 spectrum    1 weight  0.10000E+01 volume  0.35562E-02 ppm1      8.401 ppm2      1.492 CV     1
 ASSI { 1599}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 15   and name HG1 ))
      3.200     1.300     1.300 peak  1599 spectrum    1 weight  0.10000E+01 volume  0.35562E-02 ppm1      8.404 ppm2      2.261 CV     1
 OR { 1599}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 15   and name HG2 ))
 ASSI { 1600}
   (( segid " 1SG" and resid 98   and name HN  ))
   (( segid " 1SG" and resid 91   and name HA  ))
      2.200     2.200     3.800 peak  1600 spectrum    1 weight  0.10000E+01 volume  0.35562E-02 ppm1      8.399 ppm2      4.758 CV     1
 ASSI { 1602}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 105  and name HB  ))
      3.200     1.200     1.200 peak  1602 spectrum    1 weight  0.10000E+01 volume  0.35562E-02 ppm1      8.150 ppm2      3.935 CV     1
 ASSI { 1603}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 106  and name HB  ))
      3.500     1.600     1.600 peak  1603 spectrum    1 weight  0.10000E+01 volume  0.35562E-02 ppm1      8.820 ppm2      1.850 CV     1
 ASSI { 1605}
   (( segid " 1SG" and resid 38   and name HN  ))
   (  segid " 1SG" and resid 38   and name HG2%)
      2.700     0.900     0.900 peak  1605 spectrum    1 weight  0.10000E+01 volume  0.35562E-02 ppm1      8.373 ppm2      0.790 CV     1
 ASSI { 1606}
   (( segid " 1SG" and resid 19   and name HN  ))
   (( segid " 1SG" and resid 19   and name HA2 ))
      2.700     0.900     0.900 peak  1606 spectrum    1 weight  0.10000E+01 volume  0.35562E-02 ppm1      9.828 ppm2      4.311 CV     1
 ASSI { 1608}
   (( segid " 1SG" and resid 85   and name HN  ))
   (  segid " 1SG" and resid 87   and name HD% )
      3.300     3.300     2.700 peak  1608 spectrum    1 weight  0.10000E+01 volume  0.35562E-02 ppm1      9.409 ppm2      6.792 CV     1
 ASSI { 1609}
   (( segid " 1SG" and resid 101  and name HD21))
   (( segid " 1SG" and resid 101  and name HB2 ))
      2.800     1.000     1.000 peak  1609 spectrum    1 weight  0.10000E+01 volume  0.35562E-02 ppm1      7.436 ppm2      2.696 CV     1
 ASSI { 1613}
   (( segid " 1SG" and resid 28   and name HN  ))
   (  segid " 1SG" and resid 72   and name HD% )
      2.900     1.000     1.000 peak  1613 spectrum    1 weight  0.10000E+01 volume  0.35580E-02 ppm1      9.673 ppm2      7.309 CV     1
 ASSI { 1614}
   (( segid " 1SG" and resid 68   and name HN  ))
   (( segid " 1SG" and resid 66   and name HA  ))
      3.300     1.400     1.400 peak  1614 spectrum    1 weight  0.10000E+01 volume  0.35562E-02 ppm1      7.876 ppm2      4.125 CV     1
 ASSI {    1}
   (( segid " 1SG" and resid 43   and name HD1 ))
   (( segid " 1SG" and resid 43   and name HG2 ))
      2.100     0.600     0.600 peak     1 spectrum    1 weight  0.10000E+01 volume  0.83726E-02 ppm1      1.317 ppm2      0.086 CV     1
 OR {    1}
   (( segid " 1SG" and resid 43   and name HD2 ))
   (( segid " 1SG" and resid 43   and name HG2 ))
 ASSI {    2}
   (( segid " 1SG" and resid 41   and name HA  ))
   (( segid " 1SG" and resid 89   and name HA  ))
      2.100     0.500     0.500 peak     2 spectrum    1 weight  0.10000E+01 volume  0.83756E-02 ppm1      5.478 ppm2      4.971 CV     1
 ASSI {   16}
   (( segid " 1SG" and resid 65   and name HG2 ))
   (( segid " 1SG" and resid 65   and name HB2 ))
      2.100     0.600     0.600 peak    16 spectrum    1 weight  0.10000E+01 volume  0.83791E-02 ppm1      1.688 ppm2      1.765 CV     1
 OR {   16}
   (( segid " 1SG" and resid 65   and name HG1 ))
   (( segid " 1SG" and resid 65   and name HB1 ))
 OR {   16}
   (( segid " 1SG" and resid 65   and name HG2 ))
   (( segid " 1SG" and resid 65   and name HB1 ))
 OR {   16}
   (( segid " 1SG" and resid 65   and name HG1 ))
   (( segid " 1SG" and resid 65   and name HB2 ))
 ASSI {   41}
   (( segid " 1SG" and resid 41   and name HA  ))
   (( segid " 1SG" and resid 90   and name HB2 ))
      2.400     2.400     3.600 peak    41 spectrum    1 weight  0.10000E+01 volume  0.82608E-02 ppm1      5.495 ppm2      2.057 CV     1
 ASSI {   98}
   (( segid " 1SG" and resid 87   and name HA  ))
   (( segid " 1SG" and resid 43   and name HA  ))
      2.000     0.500     0.500 peak    98 spectrum    1 weight  0.10000E+01 volume  0.82608E-02 ppm1      4.980 ppm2      4.145 CV     1
 ASSI {  113}
   (( segid " 1SG" and resid 61   and name HA  ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      2.500     2.500     3.500 peak   113 spectrum    1 weight  0.10000E+01 volume  0.82608E-02 ppm1      5.518 ppm2      2.821 CV     1
 ASSI {  131}
   (( segid " 1SG" and resid 1    and name HA  ))
   (( segid " 1SG" and resid 97   and name HB2 ))
      2.300     2.300     3.700 peak   131 spectrum    1 weight  0.10000E+01 volume  0.82748E-02 ppm1      4.624 ppm2      2.693 CV     1
 ASSI {  159}
   (  segid " 1SG" and resid 93   and name HG2%)
   (( segid " 1SG" and resid 37   and name HA  ))
      1.900     0.500     0.500 peak   159 spectrum    1 weight  0.10000E+01 volume  0.83596E-02 ppm1      1.041 ppm2      4.505 CV     1
 ASSI {  173}
   (( segid " 1SG" and resid 92   and name HB1 ))
   (( segid " 1SG" and resid 38   and name HA  ))
      1.500     1.500     4.500 peak   173 spectrum    1 weight  0.10000E+01 volume  0.23405E-01 ppm1      3.883 ppm2      3.881 CV     1
 OR {  173}
   (( segid " 1SG" and resid 92   and name HB2 ))
   (( segid " 1SG" and resid 38   and name HA  ))
 ASSI {  174}
   (( segid " 1SG" and resid 72   and name HB2 ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      2.000     2.000     4.000 peak   174 spectrum    1 weight  0.10000E+01 volume  0.22955E-01 ppm1      2.926 ppm2      2.791 CV     1
 ASSI {  175}
   (( segid " 1SG" and resid 32   and name HA  ))
   (( segid " 1SG" and resid 32   and name HB1 ))
      2.200     0.600     0.600 peak   175 spectrum    1 weight  0.10000E+01 volume  0.82748E-02 ppm1      4.518 ppm2      3.914 CV     1
 OR {  175}
   (( segid " 1SG" and resid 32   and name HA  ))
   (( segid " 1SG" and resid 32   and name HB2 ))
 ASSI {  183}
   (( segid " 1SG" and resid 74   and name HA  ))
   (( segid " 1SG" and resid 59   and name HA  ))
      2.000     0.500     0.500 peak   183 spectrum    1 weight  0.10000E+01 volume  0.82748E-02 ppm1      4.344 ppm2      5.189 CV     1
 ASSI {  185}
   (( segid " 1SG" and resid 74   and name HA  ))
   (  segid " 1SG" and resid 74   and name HD2%)
      2.100     0.600     0.600 peak   185 spectrum    1 weight  0.10000E+01 volume  0.82748E-02 ppm1      4.326 ppm2      0.405 CV     1
 OR {  185}
   (( segid " 1SG" and resid 74   and name HA  ))
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI {  194}
   (( segid " 1SG" and resid 34   and name HA  ))
   (( segid " 1SG" and resid 34   and name HG  ))
      2.200     0.600     0.600 peak   194 spectrum    1 weight  0.10000E+01 volume  0.82778E-02 ppm1      4.298 ppm2      0.929 CV     1
 ASSI {  226}
   (( segid " 1SG" and resid 17   and name HA  ))
   (( segid " 1SG" and resid 107  and name HB1 ))
      2.100     2.100     3.900 peak   226 spectrum    1 weight  0.10000E+01 volume  0.82833E-02 ppm1      4.795 ppm2      3.074 CV     1
 OR {  226}
   (( segid " 1SG" and resid 17   and name HA  ))
   (( segid " 1SG" and resid 107  and name HB2 ))
 ASSI {  253}
   (( segid " 1SG" and resid 55   and name HG2 ))
   (( segid " 1SG" and resid 55   and name HB2 ))
      2.000     0.500     0.500 peak   253 spectrum    1 weight  0.10000E+01 volume  0.16063E-01 ppm1      1.989 ppm2      1.788 CV     1
 OR {  253}
   (( segid " 1SG" and resid 55   and name HG1 ))
   (( segid " 1SG" and resid 55   and name HB2 ))
 ASSI {  275}
   (( segid " 1SG" and resid 81   and name HB2 ))
   (( segid " 1SG" and resid 81   and name HA  ))
      2.300     0.700     0.700 peak   275 spectrum    1 weight  0.10000E+01 volume  0.82894E-02 ppm1      1.927 ppm2      4.000 CV     1
 ASSI {  282}
   (  segid " 1SG" and resid 84   and name HG2%)
   (( segid " 1SG" and resid 84   and name HB  ))
      2.000     0.500     0.500 peak   282 spectrum    1 weight  0.10000E+01 volume  0.13674E-01 ppm1      1.497 ppm2      4.224 CV     1
 OR {  282}
   (  segid " 1SG" and resid 84   and name HG2%)
   (( segid " 1SG" and resid 84   and name HA  ))
 ASSI {  287}
   (( segid " 1SG" and resid 94   and name HG2 ))
   (( segid " 1SG" and resid 94   and name HD2 ))
      1.800     0.400     0.400 peak   287 spectrum    1 weight  0.10000E+01 volume  0.13337E-01 ppm1      1.417 ppm2      1.679 CV     1
 OR {  287}
   (( segid " 1SG" and resid 94   and name HG1 ))
   (( segid " 1SG" and resid 94   and name HD1 ))
 OR {  287}
   (( segid " 1SG" and resid 94   and name HG1 ))
   (( segid " 1SG" and resid 94   and name HD2 ))
 OR {  287}
   (( segid " 1SG" and resid 94   and name HG2 ))
   (( segid " 1SG" and resid 94   and name HD1 ))
 ASSI {  302}
   (  segid " 1SG" and resid 4    and name HD1%)
   (( segid " 1SG" and resid 4    and name HB  ))
      2.000     0.500     0.500 peak   302 spectrum    1 weight  0.10000E+01 volume  0.82919E-02 ppm1      0.966 ppm2      2.051 CV     1
 ASSI {  313}
   (  segid " 1SG" and resid 66   and name HB% )
   (( segid " 1SG" and resid 66   and name HA  ))
      2.100     0.500     0.500 peak   313 spectrum    1 weight  0.10000E+01 volume  0.11524E-01 ppm1      1.419 ppm2      4.132 CV     1
 ASSI {  328}
   (( segid " 1SG" and resid 34   and name HG  ))
   (  segid " 1SG" and resid 34   and name HD2%)
      2.100     0.600     0.600 peak   328 spectrum    1 weight  0.10000E+01 volume  0.83064E-02 ppm1      0.934 ppm2      0.862 CV     1
 OR {  328}
   (( segid " 1SG" and resid 34   and name HG  ))
   (  segid " 1SG" and resid 34   and name HD1%)
 ASSI {  335}
   (( segid " 1SG" and resid 3    and name HB2 ))
   (( segid " 1SG" and resid 4    and name HB  ))
      2.500     2.500     3.500 peak   335 spectrum    1 weight  0.10000E+01 volume  0.10495E-01 ppm1      2.299 ppm2      2.004 CV     1
 OR {  335}
   (( segid " 1SG" and resid 3    and name HB1 ))
   (( segid " 1SG" and resid 4    and name HB  ))
 ASSI {  336}
   (( segid " 1SG" and resid 68   and name HD2 ))
   (( segid " 1SG" and resid 68   and name HB2 ))
      2.100     0.500     0.500 peak   336 spectrum    1 weight  0.10000E+01 volume  0.83064E-02 ppm1      1.673 ppm2      1.771 CV     1
 OR {  336}
   (( segid " 1SG" and resid 68   and name HD1 ))
   (( segid " 1SG" and resid 68   and name HB2 ))
 ASSI {  342}
   (( segid " 1SG" and resid 36   and name HB2 ))
   (( segid " 1SG" and resid 36   and name HD2 ))
      2.200     2.200     3.800 peak   342 spectrum    1 weight  0.10000E+01 volume  0.83064E-02 ppm1      1.641 ppm2      3.510 CV     1
 ASSI {  345}
   (  segid " 1SG" and resid 69   and name HG1%)
   (( segid " 1SG" and resid 69   and name HB  ))
      2.000     0.500     0.500 peak   345 spectrum    1 weight  0.10000E+01 volume  0.10259E-01 ppm1      0.862 ppm2      1.752 CV     1
 OR {  345}
   (  segid " 1SG" and resid 69   and name HG2%)
   (( segid " 1SG" and resid 69   and name HB  ))
 ASSI {  349}
   (  segid " 1SG" and resid 82   and name HB% )
   (( segid " 1SG" and resid 82   and name HA  ))
      2.100     0.600     0.600 peak   349 spectrum    1 weight  0.10000E+01 volume  0.10045E-01 ppm1      1.321 ppm2      4.210 CV     1
 ASSI {  353}
   (  segid " 1SG" and resid 16   and name HG1%)
   (  segid " 1SG" and resid 16   and name HG2%)
      2.100     0.600     0.600 peak   353 spectrum    1 weight  0.10000E+01 volume  0.99774E-02 ppm1      0.980 ppm2      0.628 CV     1
 ASSI {  354}
   (( segid " 1SG" and resid 21   and name HB2 ))
   (( segid " 1SG" and resid 23   and name HB  ))
      2.200     2.200     3.800 peak   354 spectrum    1 weight  0.10000E+01 volume  0.99223E-02 ppm1      3.720 ppm2      3.604 CV     1
 ASSI {  356}
   (( segid " 1SG" and resid 104  and name HG  ))
   (( segid " 1SG" and resid 104  and name HB2 ))
      2.100     2.100     3.900 peak   356 spectrum    1 weight  0.10000E+01 volume  0.83064E-02 ppm1      1.339 ppm2      1.226 CV     1
 ASSI {  358}
   (( segid " 1SG" and resid 65   and name HD1 ))
   (( segid " 1SG" and resid 65   and name HG2 ))
      2.000     0.500     0.500 peak   358 spectrum    1 weight  0.10000E+01 volume  0.98149E-02 ppm1      3.238 ppm2      1.683 CV     1
 OR {  358}
   (( segid " 1SG" and resid 65   and name HD2 ))
   (( segid " 1SG" and resid 65   and name HG1 ))
 OR {  358}
   (( segid " 1SG" and resid 65   and name HD2 ))
   (( segid " 1SG" and resid 65   and name HG2 ))
 OR {  358}
   (( segid " 1SG" and resid 65   and name HD1 ))
   (( segid " 1SG" and resid 65   and name HG1 ))
 ASSI {  359}
   (( segid " 1SG" and resid 104  and name HG  ))
   (  segid " 1SG" and resid 104  and name HD2%)
      2.000     0.500     0.500 peak   359 spectrum    1 weight  0.10000E+01 volume  0.83064E-02 ppm1      1.342 ppm2      0.832 CV     1
 ASSI {  363}
   (  segid " 1SG" and resid 8    and name HG2%)
   (( segid " 1SG" and resid 8    and name HB  ))
      2.000     0.500     0.500 peak   363 spectrum    1 weight  0.10000E+01 volume  0.96951E-02 ppm1      0.979 ppm2      1.824 CV     1
 OR {  363}
   (  segid " 1SG" and resid 8    and name HG1%)
   (( segid " 1SG" and resid 8    and name HB  ))
 ASSI {  364}
   (( segid " 1SG" and resid 59   and name HG  ))
   (  segid " 1SG" and resid 59   and name HD2%)
      2.000     0.500     0.500 peak   364 spectrum    1 weight  0.10000E+01 volume  0.83064E-02 ppm1      1.424 ppm2      0.682 CV     1
 ASSI {  375}
   (( segid " 1SG" and resid 4    and name HG12))
   (  segid " 1SG" and resid 4    and name HG2%)
      2.000     0.500     0.500 peak   375 spectrum    1 weight  0.10000E+01 volume  0.83064E-02 ppm1      1.245 ppm2      0.917 CV     1
 ASSI {  377}
   (  segid " 1SG" and resid 71   and name HD2%)
   (  segid " 1SG" and resid 71   and name HD1%)
      2.100     0.600     0.600 peak   377 spectrum    1 weight  0.10000E+01 volume  0.93992E-02 ppm1      0.746 ppm2      0.857 CV     1
 ASSI {  384}
   (( segid " 1SG" and resid 81   and name HD2 ))
   (  segid " 1SG" and resid 18   and name HG1%)
      2.600     0.900     0.900 peak   384 spectrum    1 weight  0.10000E+01 volume  0.83094E-02 ppm1      3.587 ppm2      0.967 CV     1
 OR {  384}
   (( segid " 1SG" and resid 81   and name HD2 ))
   (  segid " 1SG" and resid 18   and name HG2%)
 ASSI {  388}
   (( segid " 1SG" and resid 34   and name HG  ))
   (( segid " 1SG" and resid 34   and name HB2 ))
      2.100     0.600     0.600 peak   388 spectrum    1 weight  0.10000E+01 volume  0.91118E-02 ppm1      0.935 ppm2      1.675 CV     1
 OR {  388}
   (( segid " 1SG" and resid 34   and name HG  ))
   (( segid " 1SG" and resid 34   and name HB1 ))
 ASSI {  403}
   (  segid " 1SG" and resid 34   and name HD1%)
   (( segid " 1SG" and resid 34   and name HB2 ))
      2.200     0.600     0.600 peak   403 spectrum    1 weight  0.10000E+01 volume  0.88831E-02 ppm1      0.863 ppm2      1.651 CV     1
 OR {  403}
   (  segid " 1SG" and resid 34   and name HD2%)
   (( segid " 1SG" and resid 34   and name HB1 ))
 OR {  403}
   (  segid " 1SG" and resid 34   and name HD1%)
   (( segid " 1SG" and resid 34   and name HB1 ))
 OR {  403}
   (  segid " 1SG" and resid 34   and name HD2%)
   (( segid " 1SG" and resid 34   and name HB2 ))
 ASSI {  404}
   (  segid " 1SG" and resid 33   and name HD2%)
   (( segid " 1SG" and resid 33   and name HB2 ))
      2.200     0.600     0.600 peak   404 spectrum    1 weight  0.10000E+01 volume  0.88395E-02 ppm1      0.873 ppm2      1.725 CV     1
 OR {  404}
   (  segid " 1SG" and resid 33   and name HD1%)
   (( segid " 1SG" and resid 33   and name HB2 ))
 ASSI {  405}
   (( segid " 1SG" and resid 96   and name HB2 ))
   (  segid " 1SG" and resid 6    and name HD2%)
      2.100     0.600     0.600 peak   405 spectrum    1 weight  0.10000E+01 volume  0.83094E-02 ppm1      1.583 ppm2      0.481 CV     1
 ASSI {  406}
   (( segid " 1SG" and resid 35   and name HB1 ))
   (( segid " 1SG" and resid 35   and name HD2 ))
      2.100     0.600     0.600 peak   406 spectrum    1 weight  0.10000E+01 volume  0.87969E-02 ppm1      1.791 ppm2      1.632 CV     1
 OR {  406}
   (( segid " 1SG" and resid 35   and name HB1 ))
   (( segid " 1SG" and resid 35   and name HD1 ))
 OR {  406}
   (( segid " 1SG" and resid 35   and name HB2 ))
   (( segid " 1SG" and resid 35   and name HD2 ))
 OR {  406}
   (( segid " 1SG" and resid 35   and name HB2 ))
   (( segid " 1SG" and resid 35   and name HD1 ))
 ASSI {  414}
   (( segid " 1SG" and resid 33   and name HB2 ))
   (( segid " 1SG" and resid 33   and name HG  ))
      2.000     0.500     0.500 peak   414 spectrum    1 weight  0.10000E+01 volume  0.83210E-02 ppm1      1.739 ppm2      0.923 CV     1
 ASSI {  415}
   (  segid " 1SG" and resid 31   and name HB% )
   (( segid " 1SG" and resid 31   and name HA  ))
      2.100     0.500     0.500 peak   415 spectrum    1 weight  0.10000E+01 volume  0.86760E-02 ppm1      1.537 ppm2      4.174 CV     1
 ASSI {  416}
   (( segid " 1SG" and resid 2    and name HB2 ))
   (( segid " 1SG" and resid 1    and name HB2 ))
      2.500     2.500     3.500 peak   416 spectrum    1 weight  0.10000E+01 volume  0.83210E-02 ppm1      2.691 ppm2      2.601 CV     1
 ASSI {  420}
   (  segid " 1SG" and resid 105  and name HG2%)
   (( segid " 1SG" and resid 105  and name HB  ))
      2.100     0.600     0.600 peak   420 spectrum    1 weight  0.10000E+01 volume  0.85622E-02 ppm1      0.923 ppm2      3.904 CV     1
 ASSI {  425}
   (  segid " 1SG" and resid 76   and name HD1%)
   (  segid " 1SG" and resid 76   and name HG2%)
      2.100     0.600     0.600 peak   425 spectrum    1 weight  0.10000E+01 volume  0.84328E-02 ppm1      0.678 ppm2      0.829 CV     1
 ASSI {  427}
   (  segid " 1SG" and resid 59   and name HD1%)
   (  segid " 1SG" and resid 59   and name HD2%)
      2.100     0.600     0.600 peak   427 spectrum    1 weight  0.10000E+01 volume  0.83681E-02 ppm1      0.863 ppm2      0.716 CV     1
 ASSI {  435}
   (( segid " 1SG" and resid 94   and name HE2 ))
   (( segid " 1SG" and resid 94   and name HD2 ))
      2.000     0.500     0.500 peak   435 spectrum    1 weight  0.10000E+01 volume  0.82081E-02 ppm1      2.967 ppm2      1.689 CV     1
 OR {  435}
   (( segid " 1SG" and resid 94   and name HE1 ))
   (( segid " 1SG" and resid 94   and name HD1 ))
 OR {  435}
   (( segid " 1SG" and resid 94   and name HE2 ))
   (( segid " 1SG" and resid 94   and name HD1 ))
 OR {  435}
   (( segid " 1SG" and resid 94   and name HE1 ))
   (( segid " 1SG" and resid 94   and name HD2 ))
 ASSI {  438}
   (( segid " 1SG" and resid 108  and name HG2 ))
   (  segid " 1SG" and resid 18   and name HG2%)
      2.300     0.600     0.600 peak   438 spectrum    1 weight  0.10000E+01 volume  0.83340E-02 ppm1      2.209 ppm2      0.961 CV     1
 OR {  438}
   (( segid " 1SG" and resid 108  and name HG1 ))
   (  segid " 1SG" and resid 18   and name HG2%)
 ASSI {  443}
   (  segid " 1SG" and resid 106  and name HG2%)
   (  segid " 1SG" and resid 106  and name HG1%)
      2.100     0.600     0.600 peak   443 spectrum    1 weight  0.10000E+01 volume  0.79945E-02 ppm1      0.390 ppm2      0.692 CV     1
 ASSI {  458}
   (  segid " 1SG" and resid 23   and name HG2%)
   (( segid " 1SG" and resid 23   and name HB  ))
      2.200     0.600     0.600 peak   458 spectrum    1 weight  0.10000E+01 volume  0.77462E-02 ppm1      0.783 ppm2      3.578 CV     1
 ASSI {  460}
   (( segid " 1SG" and resid 50   and name HB2 ))
   (( segid " 1SG" and resid 50   and name HA  ))
      2.100     0.600     0.600 peak   460 spectrum    1 weight  0.10000E+01 volume  0.83340E-02 ppm1      4.031 ppm2      3.944 CV     1
 ASSI {  463}
   (( segid " 1SG" and resid 35   and name HE2 ))
   (( segid " 1SG" and resid 35   and name HD1 ))
      2.100     0.600     0.600 peak   463 spectrum    1 weight  0.10000E+01 volume  0.75627E-02 ppm1      2.950 ppm2      1.649 CV     1
 OR {  463}
   (( segid " 1SG" and resid 35   and name HE1 ))
   (( segid " 1SG" and resid 35   and name HD2 ))
 OR {  463}
   (( segid " 1SG" and resid 35   and name HE2 ))
   (( segid " 1SG" and resid 35   and name HD2 ))
 OR {  463}
   (( segid " 1SG" and resid 35   and name HE1 ))
   (( segid " 1SG" and resid 35   and name HD1 ))
 ASSI {  464}
   (( segid " 1SG" and resid 4    and name HA  ))
   (  segid " 1SG" and resid 4    and name HG2%)
      2.200     0.600     0.600 peak   464 spectrum    1 weight  0.10000E+01 volume  0.83340E-02 ppm1      4.027 ppm2      0.915 CV     1
 ASSI {  478}
   (  segid " 1SG" and resid 84   and name HG2%)
   (( segid " 1SG" and resid 105  and name HA  ))
      2.200     0.600     0.600 peak   478 spectrum    1 weight  0.10000E+01 volume  0.72843E-02 ppm1      1.498 ppm2      4.518 CV     1
 ASSI {  480}
   (( segid " 1SG" and resid 17   and name HB  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      2.200     0.600     0.600 peak   480 spectrum    1 weight  0.10000E+01 volume  0.72588E-02 ppm1      4.089 ppm2      1.298 CV     1
 ASSI {  482}
   (  segid " 1SG" and resid 34   and name HD2%)
   (( segid " 1SG" and resid 34   and name HA  ))
      2.300     0.700     0.700 peak   482 spectrum    1 weight  0.10000E+01 volume  0.72106E-02 ppm1      0.863 ppm2      4.298 CV     1
 OR {  482}
   (  segid " 1SG" and resid 34   and name HD1%)
   (( segid " 1SG" and resid 34   and name HA  ))
 ASSI {  483}
   (  segid " 1SG" and resid 104  and name HD1%)
   (  segid " 1SG" and resid 16   and name HG2%)
      2.100     0.600     0.600 peak   483 spectrum    1 weight  0.10000E+01 volume  0.72051E-02 ppm1      0.982 ppm2      0.618 CV     1
 ASSI {  485}
   (  segid " 1SG" and resid 6    and name HD1%)
   (  segid " 1SG" and resid 6    and name HD2%)
      2.200     0.600     0.600 peak   485 spectrum    1 weight  0.10000E+01 volume  0.71444E-02 ppm1      0.674 ppm2      0.488 CV     1
 ASSI {  492}
   (  segid " 1SG" and resid 18   and name HG2%)
   (  segid " 1SG" and resid 106  and name HG2%)
      2.100     0.600     0.600 peak   492 spectrum    1 weight  0.10000E+01 volume  0.70647E-02 ppm1      0.966 ppm2      0.388 CV     1
 ASSI {  500}
   (( segid " 1SG" and resid 49   and name HG  ))
   (  segid " 1SG" and resid 49   and name HD1%)
      2.000     0.500     0.500 peak   500 spectrum    1 weight  0.10000E+01 volume  0.83756E-02 ppm1      0.799 ppm2      1.765 CV     1
 ASSI {  501}
   (  segid " 1SG" and resid 91   and name HG2%)
   (( segid " 1SG" and resid 37   and name HB2 ))
      2.100     0.600     0.600 peak   501 spectrum    1 weight  0.10000E+01 volume  0.83375E-02 ppm1      0.184 ppm2      1.380 CV     1
 OR {  501}
   (  segid " 1SG" and resid 91   and name HG2%)
   (( segid " 1SG" and resid 37   and name HG2 ))
 OR {  501}
   (  segid " 1SG" and resid 91   and name HG1%)
   (( segid " 1SG" and resid 37   and name HB2 ))
 ASSI {  504}
   (  segid " 1SG" and resid 69   and name HG1%)
   (( segid " 1SG" and resid 69   and name HA  ))
      2.100     0.600     0.600 peak   504 spectrum    1 weight  0.10000E+01 volume  0.69147E-02 ppm1      0.862 ppm2      4.593 CV     1
 OR {  504}
   (  segid " 1SG" and resid 69   and name HG2%)
   (( segid " 1SG" and resid 69   and name HA  ))
 ASSI {  507}
   (  segid " 1SG" and resid 38   and name HG2%)
   (( segid " 1SG" and resid 38   and name HB  ))
      2.200     0.600     0.600 peak   507 spectrum    1 weight  0.10000E+01 volume  0.68811E-02 ppm1      0.828 ppm2      1.896 CV     1
 OR {  507}
   (  segid " 1SG" and resid 38   and name HG1%)
   (( segid " 1SG" and resid 38   and name HB  ))
 ASSI {  511}
   (( segid " 1SG" and resid 77   and name HB  ))
   (  segid " 1SG" and resid 77   and name HG2%)
      2.200     0.600     0.600 peak   511 spectrum    1 weight  0.10000E+01 volume  0.68591E-02 ppm1      4.025 ppm2      1.045 CV     1
 ASSI {  515}
   (  segid " 1SG" and resid 47   and name HG2%)
   (  segid " 1SG" and resid 47   and name HG1%)
      2.200     0.600     0.600 peak   515 spectrum    1 weight  0.10000E+01 volume  0.68295E-02 ppm1      0.794 ppm2      0.992 CV     1
 ASSI {  522}
   (  segid " 1SG" and resid 39   and name HG1%)
   (  segid " 1SG" and resid 39   and name HG2%)
      2.200     0.600     0.600 peak   522 spectrum    1 weight  0.10000E+01 volume  0.67367E-02 ppm1     -0.062 ppm2     -0.447 CV     1
 ASSI {  524}
   (( segid " 1SG" and resid 52   and name HD2 ))
   (( segid " 1SG" and resid 52   and name HG1 ))
      2.200     0.600     0.600 peak   524 spectrum    1 weight  0.10000E+01 volume  0.67121E-02 ppm1      1.579 ppm2      1.341 CV     1
 OR {  524}
   (( segid " 1SG" and resid 52   and name HD1 ))
   (( segid " 1SG" and resid 52   and name HG2 ))
 OR {  524}
   (( segid " 1SG" and resid 52   and name HD1 ))
   (( segid " 1SG" and resid 52   and name HG1 ))
 OR {  524}
   (( segid " 1SG" and resid 52   and name HD2 ))
   (( segid " 1SG" and resid 52   and name HG2 ))
 ASSI {  527}
   (( segid " 1SG" and resid 49   and name HG  ))
   (  segid " 1SG" and resid 59   and name HD1%)
      2.500     2.500     3.500 peak   527 spectrum    1 weight  0.10000E+01 volume  0.83400E-02 ppm1      0.848 ppm2      0.850 CV     1
 ASSI {  536}
   (  segid " 1SG" and resid 38   and name HG1%)
   (( segid " 1SG" and resid 38   and name HA  ))
      2.300     0.600     0.600 peak   536 spectrum    1 weight  0.10000E+01 volume  0.66244E-02 ppm1      0.835 ppm2      3.900 CV     1
 OR {  536}
   (  segid " 1SG" and resid 38   and name HG2%)
   (( segid " 1SG" and resid 38   and name HA  ))
 ASSI {  541}
   (  segid " 1SG" and resid 59   and name HD2%)
   (  segid " 1SG" and resid 74   and name HD2%)
      2.400     0.700     0.700 peak   541 spectrum    1 weight  0.10000E+01 volume  0.66128E-02 ppm1      0.714 ppm2      0.412 CV     1
 OR {  541}
   (  segid " 1SG" and resid 59   and name HD2%)
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI {  544}
   (( segid " 1SG" and resid 54   and name HA1 ))
   (( segid " 1SG" and resid 54   and name HA2 ))
      2.000     0.500     0.500 peak   544 spectrum    1 weight  0.10000E+01 volume  0.66003E-02 ppm1      3.915 ppm2      4.302 CV     1
 ASSI {  547}
   (  segid " 1SG" and resid 33   and name HD2%)
   (( segid " 1SG" and resid 33   and name HA  ))
      2.500     0.800     0.800 peak   547 spectrum    1 weight  0.10000E+01 volume  0.65757E-02 ppm1      0.873 ppm2      4.455 CV     1
 OR {  547}
   (  segid " 1SG" and resid 33   and name HD1%)
   (( segid " 1SG" and resid 33   and name HA  ))
 ASSI {  548}
   (  segid " 1SG" and resid 28   and name HG1%)
   (  segid " 1SG" and resid 29   and name HB% )
      2.500     2.500     3.500 peak   548 spectrum    1 weight  0.10000E+01 volume  0.83400E-02 ppm1      0.819 ppm2      1.521 CV     1
 ASSI {  557}
   (  segid " 1SG" and resid 59   and name HD1%)
   (  segid " 1SG" and resid 57   and name HD1%)
      2.700     0.900     0.900 peak   557 spectrum    1 weight  0.10000E+01 volume  0.64358E-02 ppm1      0.824 ppm2      0.604 CV     1
 OR {  557}
   (  segid " 1SG" and resid 59   and name HD1%)
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI {  558}
   (  segid " 1SG" and resid 29   and name HB% )
   (( segid " 1SG" and resid 29   and name HA  ))
      2.200     0.600     0.600 peak   558 spectrum    1 weight  0.10000E+01 volume  0.64147E-02 ppm1      1.520 ppm2      4.393 CV     1
 ASSI {  563}
   (  segid " 1SG" and resid 104  and name HD2%)
   (  segid " 1SG" and resid 106  and name HG1%)
      2.300     0.600     0.600 peak   563 spectrum    1 weight  0.10000E+01 volume  0.63109E-02 ppm1      0.837 ppm2      0.684 CV     1
 ASSI {  571}
   (  segid " 1SG" and resid 93   and name HG2%)
   (( segid " 1SG" and resid 93   and name HB  ))
      2.100     0.600     0.600 peak   571 spectrum    1 weight  0.10000E+01 volume  0.62467E-02 ppm1      1.040 ppm2      4.557 CV     1
 ASSI {  572}
   (  segid " 1SG" and resid 104  and name HD2%)
   (  segid " 1SG" and resid 104  and name HD1%)
      2.200     0.600     0.600 peak   572 spectrum    1 weight  0.10000E+01 volume  0.62227E-02 ppm1      0.836 ppm2      0.981 CV     1
 ASSI {  574}
   (  segid " 1SG" and resid 53   and name HG1%)
   (( segid " 1SG" and resid 53   and name HB  ))
      2.200     0.600     0.600 peak   574 spectrum    1 weight  0.10000E+01 volume  0.61921E-02 ppm1      1.080 ppm2      2.129 CV     1
 OR {  574}
   (  segid " 1SG" and resid 53   and name HG2%)
   (( segid " 1SG" and resid 53   and name HB  ))
 ASSI {  581}
   (( segid " 1SG" and resid 67   and name HB2 ))
   (( segid " 1SG" and resid 67   and name HA  ))
      2.300     0.700     0.700 peak   581 spectrum    1 weight  0.10000E+01 volume  0.61128E-02 ppm1      3.729 ppm2      4.301 CV     1
 OR {  581}
   (( segid " 1SG" and resid 67   and name HB1 ))
   (( segid " 1SG" and resid 67   and name HA  ))
 ASSI {  582}
   (( segid " 1SG" and resid 53   and name HB  ))
   (  segid " 1SG" and resid 53   and name HG1%)
      2.200     0.600     0.600 peak   582 spectrum    1 weight  0.10000E+01 volume  0.61083E-02 ppm1      2.134 ppm2      1.116 CV     1
 ASSI {  589}
   (  segid " 1SG" and resid 76   and name HG2%)
   (  segid " 1SG" and resid 57   and name HD2%)
      2.500     0.800     0.800 peak   589 spectrum    1 weight  0.10000E+01 volume  0.83460E-02 ppm1      0.826 ppm2      0.616 CV     1
 OR {  589}
   (  segid " 1SG" and resid 76   and name HG2%)
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI {  592}
   (( segid " 1SG" and resid 53   and name HB  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      2.200     0.600     0.600 peak   592 spectrum    1 weight  0.10000E+01 volume  0.60130E-02 ppm1      2.134 ppm2      1.084 CV     1
 ASSI {  594}
   (  segid " 1SG" and resid 76   and name HD1%)
   (  segid " 1SG" and resid 74   and name HD1%)
      2.100     0.500     0.500 peak   594 spectrum    1 weight  0.10000E+01 volume  0.83460E-02 ppm1      0.676 ppm2      0.417 CV     1
 ASSI {  604}
   (( segid " 1SG" and resid 85   and name HA1 ))
   (( segid " 1SG" and resid 85   and name HA2 ))
      1.900     0.500     0.500 peak   604 spectrum    1 weight  0.10000E+01 volume  0.59283E-02 ppm1      3.939 ppm2      4.518 CV     1
 ASSI {  606}
   (( segid " 1SG" and resid 89   and name HA  ))
   (( segid " 1SG" and resid 99   and name HB2 ))
      2.400     2.400     3.600 peak   606 spectrum    1 weight  0.10000E+01 volume  0.83460E-02 ppm1      4.981 ppm2      2.748 CV     1
 ASSI {  611}
   (( segid " 1SG" and resid 20   and name HA2 ))
   (( segid " 1SG" and resid 20   and name HA1 ))
      2.000     0.500     0.500 peak   611 spectrum    1 weight  0.10000E+01 volume  0.58405E-02 ppm1      4.387 ppm2      3.737 CV     1
 ASSI {  612}
   (  segid " 1SG" and resid 18   and name HG1%)
   (( segid " 1SG" and resid 18   and name HB  ))
      2.300     0.600     0.600 peak   612 spectrum    1 weight  0.10000E+01 volume  0.58340E-02 ppm1      1.013 ppm2      1.941 CV     1
 ASSI {  613}
   (( segid " 1SG" and resid 3    and name HD2 ))
   (( segid " 1SG" and resid 2    and name HA  ))
      2.300     0.600     0.600 peak   613 spectrum    1 weight  0.10000E+01 volume  0.58169E-02 ppm1      3.854 ppm2      4.913 CV     1
 OR {  613}
   (( segid " 1SG" and resid 3    and name HD1 ))
   (( segid " 1SG" and resid 2    and name HA  ))
 ASSI {  617}
   (( segid " 1SG" and resid 84   and name HB  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      2.300     0.700     0.700 peak   617 spectrum    1 weight  0.10000E+01 volume  0.57658E-02 ppm1      4.220 ppm2      1.497 CV     1
 ASSI {  623}
   (( segid " 1SG" and resid 38   and name HB  ))
   (  segid " 1SG" and resid 38   and name HG2%)
      2.300     0.600     0.600 peak   623 spectrum    1 weight  0.10000E+01 volume  0.57131E-02 ppm1      1.893 ppm2      0.790 CV     1
 ASSI {  625}
   (( segid " 1SG" and resid 49   and name HG  ))
   (  segid " 1SG" and resid 49   and name HD2%)
      2.100     0.500     0.500 peak   625 spectrum    1 weight  0.10000E+01 volume  0.56710E-02 ppm1      0.805 ppm2      1.028 CV     1
 ASSI {  628}
   (  segid " 1SG" and resid 91   and name HG2%)
   (  segid " 1SG" and resid 39   and name HG2%)
      2.200     0.600     0.600 peak   628 spectrum    1 weight  0.10000E+01 volume  0.56173E-02 ppm1      0.172 ppm2     -0.446 CV     1
 OR {  628}
   (  segid " 1SG" and resid 91   and name HG1%)
   (  segid " 1SG" and resid 39   and name HG2%)
 ASSI {  629}
   (  segid " 1SG" and resid 106  and name HG2%)
   (  segid " 1SG" and resid 18   and name HG2%)
      2.200     0.600     0.600 peak   629 spectrum    1 weight  0.10000E+01 volume  0.55311E-02 ppm1      0.390 ppm2      0.968 CV     1
 OR {  629}
   (  segid " 1SG" and resid 106  and name HG2%)
   (  segid " 1SG" and resid 18   and name HG1%)
 ASSI {  638}
   (  segid " 1SG" and resid 74   and name HD2%)
   (  segid " 1SG" and resid 26   and name HB% )
      1.800     1.800     4.200 peak   638 spectrum    1 weight  0.10000E+01 volume  0.83460E-02 ppm1      0.410 ppm2      1.483 CV     1
 OR {  638}
   (  segid " 1SG" and resid 74   and name HD1%)
   (  segid " 1SG" and resid 26   and name HB% )
 ASSI {  647}
   (( segid " 1SG" and resid 15   and name HB1 ))
   (( segid " 1SG" and resid 15   and name HG2 ))
      2.300     0.700     0.700 peak   647 spectrum    1 weight  0.10000E+01 volume  0.53546E-02 ppm1      2.041 ppm2      2.277 CV     1
 OR {  647}
   (( segid " 1SG" and resid 15   and name HB2 ))
   (( segid " 1SG" and resid 15   and name HG1 ))
 OR {  647}
   (( segid " 1SG" and resid 15   and name HB2 ))
   (( segid " 1SG" and resid 15   and name HG2 ))
 OR {  647}
   (( segid " 1SG" and resid 15   and name HB1 ))
   (( segid " 1SG" and resid 15   and name HG1 ))
 ASSI {  649}
   (  segid " 1SG" and resid 105  and name HG2%)
   (( segid " 1SG" and resid 105  and name HA  ))
      2.300     0.700     0.700 peak   649 spectrum    1 weight  0.10000E+01 volume  0.53360E-02 ppm1      0.923 ppm2      4.518 CV     1
 ASSI {  651}
   (  segid " 1SG" and resid 8    and name HG1%)
   (( segid " 1SG" and resid 8    and name HA  ))
      2.300     0.700     0.700 peak   651 spectrum    1 weight  0.10000E+01 volume  0.53139E-02 ppm1      0.964 ppm2      4.174 CV     1
 OR {  651}
   (  segid " 1SG" and resid 8    and name HG2%)
   (( segid " 1SG" and resid 8    and name HA  ))
 ASSI {  653}
   (  segid " 1SG" and resid 57   and name HD2%)
   (  segid " 1SG" and resid 74   and name HD1%)
      2.300     0.700     0.700 peak   653 spectrum    1 weight  0.10000E+01 volume  0.52989E-02 ppm1      0.612 ppm2      0.416 CV     1
 OR {  653}
   (  segid " 1SG" and resid 57   and name HD1%)
   (  segid " 1SG" and resid 74   and name HD1%)
 OR {  653}
   (  segid " 1SG" and resid 57   and name HD2%)
   (  segid " 1SG" and resid 74   and name HD2%)
 ASSI {  655}
   (( segid " 1SG" and resid 92   and name HB2 ))
   (( segid " 1SG" and resid 92   and name HA  ))
      2.300     0.700     0.700 peak   655 spectrum    1 weight  0.10000E+01 volume  0.52853E-02 ppm1      3.943 ppm2      5.264 CV     1
 OR {  655}
   (( segid " 1SG" and resid 92   and name HB1 ))
   (( segid " 1SG" and resid 92   and name HA  ))
 ASSI {  656}
   (( segid " 1SG" and resid 38   and name HB  ))
   (  segid " 1SG" and resid 38   and name HG1%)
      2.300     0.700     0.700 peak   656 spectrum    1 weight  0.10000E+01 volume  0.52753E-02 ppm1      1.893 ppm2      0.842 CV     1
 ASSI {  667}
   (( segid " 1SG" and resid 94   and name HE1 ))
   (( segid " 1SG" and resid 94   and name HG2 ))
      2.500     0.800     0.800 peak   667 spectrum    1 weight  0.10000E+01 volume  0.51123E-02 ppm1      2.982 ppm2      1.410 CV     1
 OR {  667}
   (( segid " 1SG" and resid 94   and name HE2 ))
   (( segid " 1SG" and resid 94   and name HG2 ))
 OR {  667}
   (( segid " 1SG" and resid 94   and name HE1 ))
   (( segid " 1SG" and resid 94   and name HG1 ))
 OR {  667}
   (( segid " 1SG" and resid 94   and name HE2 ))
   (( segid " 1SG" and resid 94   and name HG1 ))
 ASSI {  669}
   (( segid " 1SG" and resid 18   and name HB  ))
   (  segid " 1SG" and resid 18   and name HG2%)
      2.300     0.700     0.700 peak   669 spectrum    1 weight  0.10000E+01 volume  0.50988E-02 ppm1      1.940 ppm2      0.968 CV     1
 OR {  669}
   (( segid " 1SG" and resid 18   and name HB  ))
   (  segid " 1SG" and resid 18   and name HG1%)
 ASSI {  676}
   (( segid " 1SG" and resid 32   and name HB1 ))
   (( segid " 1SG" and resid 33   and name HA  ))
      2.500     2.500     3.500 peak   676 spectrum    1 weight  0.10000E+01 volume  0.50441E-02 ppm1      3.910 ppm2      4.466 CV     1
 OR {  676}
   (( segid " 1SG" and resid 32   and name HB2 ))
   (( segid " 1SG" and resid 33   and name HA  ))
 ASSI {  677}
   (  segid " 1SG" and resid 104  and name HD1%)
   (  segid " 1SG" and resid 22   and name HD1%)
      2.400     0.700     0.700 peak   677 spectrum    1 weight  0.10000E+01 volume  0.50436E-02 ppm1      0.982 ppm2      0.547 CV     1
 ASSI {  679}
   (  segid " 1SG" and resid 47   and name HG1%)
   (( segid " 1SG" and resid 47   and name HA  ))
      2.300     0.700     0.700 peak   679 spectrum    1 weight  0.10000E+01 volume  0.50346E-02 ppm1      0.996 ppm2      4.076 CV     1
 ASSI {  681}
   (( segid " 1SG" and resid 68   and name HG2 ))
   (( segid " 1SG" and resid 68   and name HD1 ))
      2.200     0.600     0.600 peak   681 spectrum    1 weight  0.10000E+01 volume  0.50336E-02 ppm1      1.326 ppm2      1.682 CV     1
 OR {  681}
   (( segid " 1SG" and resid 68   and name HG1 ))
   (( segid " 1SG" and resid 68   and name HD1 ))
 OR {  681}
   (( segid " 1SG" and resid 68   and name HG2 ))
   (( segid " 1SG" and resid 68   and name HD2 ))
 OR {  681}
   (( segid " 1SG" and resid 68   and name HG1 ))
   (( segid " 1SG" and resid 68   and name HD2 ))
 ASSI {  684}
   (  segid " 1SG" and resid 53   and name HG1%)
   (( segid " 1SG" and resid 53   and name HA  ))
      2.100     0.500     0.500 peak   684 spectrum    1 weight  0.10000E+01 volume  0.83460E-02 ppm1      1.079 ppm2      4.054 CV     1
 OR {  684}
   (  segid " 1SG" and resid 53   and name HG2%)
   (( segid " 1SG" and resid 53   and name HA  ))
 ASSI {  685}
   (( segid " 1SG" and resid 44   and name HA1 ))
   (( segid " 1SG" and resid 44   and name HA2 ))
      2.000     0.500     0.500 peak   685 spectrum    1 weight  0.10000E+01 volume  0.50150E-02 ppm1      3.476 ppm2      3.825 CV     1
 ASSI {  689}
   (  segid " 1SG" and resid 57   and name HD1%)
   (( segid " 1SG" and resid 57   and name HG  ))
      2.200     0.600     0.600 peak   689 spectrum    1 weight  0.10000E+01 volume  0.49882E-02 ppm1      0.618 ppm2      0.749 CV     1
 OR {  689}
   (  segid " 1SG" and resid 57   and name HD2%)
   (( segid " 1SG" and resid 57   and name HG  ))
 ASSI {  690}
   (  segid " 1SG" and resid 53   and name HG1%)
   (  segid " 1SG" and resid 59   and name HD1%)
      2.400     2.400     3.600 peak   690 spectrum    1 weight  0.10000E+01 volume  0.83460E-02 ppm1      1.118 ppm2      0.869 CV     1
 ASSI {  691}
   (  segid " 1SG" and resid 53   and name HG1%)
   (  segid " 1SG" and resid 57   and name HD1%)
      2.400     0.700     0.700 peak   691 spectrum    1 weight  0.10000E+01 volume  0.83460E-02 ppm1      1.118 ppm2      0.614 CV     1
 OR {  691}
   (  segid " 1SG" and resid 53   and name HG1%)
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI {  692}
   (  segid " 1SG" and resid 53   and name HG1%)
   (  segid " 1SG" and resid 53   and name HG2%)
      2.100     0.600     0.600 peak   692 spectrum    1 weight  0.10000E+01 volume  0.83460E-02 ppm1      1.122 ppm2      1.070 CV     1
 ASSI {  695}
   (  segid " 1SG" and resid 53   and name HG1%)
   (  segid " 1SG" and resid 57   and name HD1%)
      2.400     0.700     0.700 peak   695 spectrum    1 weight  0.10000E+01 volume  0.49280E-02 ppm1      1.077 ppm2      0.618 CV     1
 OR {  695}
   (  segid " 1SG" and resid 53   and name HG2%)
   (  segid " 1SG" and resid 57   and name HD1%)
 OR {  695}
   (  segid " 1SG" and resid 53   and name HG2%)
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI {  698}
   (( segid " 1SG" and resid 68   and name HE1 ))
   (( segid " 1SG" and resid 68   and name HG1 ))
      2.400     0.700     0.700 peak   698 spectrum    1 weight  0.10000E+01 volume  0.49141E-02 ppm1      3.029 ppm2      1.285 CV     1
 OR {  698}
   (( segid " 1SG" and resid 68   and name HE2 ))
   (( segid " 1SG" and resid 68   and name HG1 ))
 OR {  698}
   (( segid " 1SG" and resid 68   and name HE1 ))
   (( segid " 1SG" and resid 68   and name HG2 ))
 OR {  698}
   (( segid " 1SG" and resid 68   and name HE2 ))
   (( segid " 1SG" and resid 68   and name HG2 ))
 ASSI {  699}
   (  segid " 1SG" and resid 53   and name HG1%)
   (( segid " 1SG" and resid 53   and name HA  ))
      2.100     0.600     0.600 peak   699 spectrum    1 weight  0.10000E+01 volume  0.83460E-02 ppm1      1.119 ppm2      4.050 CV     1
 ASSI {  712}
   (( segid " 1SG" and resid 27   and name HD2 ))
   (( segid " 1SG" and resid 27   and name HB2 ))
      2.300     0.700     0.700 peak   712 spectrum    1 weight  0.10000E+01 volume  0.47903E-02 ppm1      3.128 ppm2      1.583 CV     1
 OR {  712}
   (( segid " 1SG" and resid 27   and name HD2 ))
   (( segid " 1SG" and resid 27   and name HB1 ))
 OR {  712}
   (( segid " 1SG" and resid 27   and name HD1 ))
   (( segid " 1SG" and resid 27   and name HB2 ))
 OR {  712}
   (( segid " 1SG" and resid 27   and name HD1 ))
   (( segid " 1SG" and resid 27   and name HB1 ))
 ASSI {  725}
   (  segid " 1SG" and resid 71   and name HD1%)
   (( segid " 1SG" and resid 71   and name HB2 ))
      2.100     0.600     0.600 peak   725 spectrum    1 weight  0.10000E+01 volume  0.83616E-02 ppm1      0.856 ppm2      1.270 CV     1
 ASSI {  731}
   (  segid " 1SG" and resid 91   and name HG1%)
   (( segid " 1SG" and resid 91   and name HB  ))
      2.300     0.600     0.600 peak   731 spectrum    1 weight  0.10000E+01 volume  0.46945E-02 ppm1      0.175 ppm2      1.130 CV     1
 OR {  731}
   (  segid " 1SG" and resid 91   and name HG2%)
   (( segid " 1SG" and resid 91   and name HB  ))
 ASSI {  739}
   (( segid " 1SG" and resid 14   and name HA2 ))
   (( segid " 1SG" and resid 14   and name HA1 ))
      2.100     0.500     0.500 peak   739 spectrum    1 weight  0.10000E+01 volume  0.46559E-02 ppm1      4.937 ppm2      3.749 CV     1
 ASSI {  742}
   (( segid " 1SG" and resid 4    and name HG12))
   (  segid " 1SG" and resid 4    and name HD1%)
      2.300     0.600     0.600 peak   742 spectrum    1 weight  0.10000E+01 volume  0.46414E-02 ppm1      1.241 ppm2      0.966 CV     1
 ASSI {  745}
   (( segid " 1SG" and resid 43   and name HE2 ))
   (( segid " 1SG" and resid 43   and name HG2 ))
      2.100     0.500     0.500 peak   745 spectrum    1 weight  0.10000E+01 volume  0.83726E-02 ppm1      2.518 ppm2      0.081 CV     1
 ASSI {  751}
   (  segid " 1SG" and resid 93   and name HG2%)
   (  segid " 1SG" and resid 6    and name HD1%)
      2.300     0.700     0.700 peak   751 spectrum    1 weight  0.10000E+01 volume  0.45919E-02 ppm1      1.039 ppm2      0.675 CV     1
 ASSI {  760}
   (( segid " 1SG" and resid 68   and name HD1 ))
   (( segid " 1SG" and resid 68   and name HE2 ))
      2.300     0.700     0.700 peak   760 spectrum    1 weight  0.10000E+01 volume  0.45261E-02 ppm1      1.678 ppm2      3.029 CV     1
 OR {  760}
   (( segid " 1SG" and resid 68   and name HD2 ))
   (( segid " 1SG" and resid 68   and name HE1 ))
 OR {  760}
   (( segid " 1SG" and resid 68   and name HD2 ))
   (( segid " 1SG" and resid 68   and name HE2 ))
 OR {  760}
   (( segid " 1SG" and resid 68   and name HD1 ))
   (( segid " 1SG" and resid 68   and name HE1 ))
 ASSI {  761}
   (  segid " 1SG" and resid 6    and name HD1%)
   (( segid " 1SG" and resid 6    and name HA  ))
      2.300     0.600     0.600 peak   761 spectrum    1 weight  0.10000E+01 volume  0.45090E-02 ppm1      0.673 ppm2      4.461 CV     1
 ASSI {  765}
   (  segid " 1SG" and resid 79   and name HB% )
   (  segid " 1SG" and resid 106  and name HG1%)
      2.600     0.900     0.900 peak   765 spectrum    1 weight  0.10000E+01 volume  0.44863E-02 ppm1      1.194 ppm2      0.689 CV     1
 ASSI {  773}
   (( segid " 1SG" and resid 93   and name HB  ))
   (( segid " 1SG" and resid 93   and name HA  ))
      2.400     0.700     0.700 peak   773 spectrum    1 weight  0.10000E+01 volume  0.44331E-02 ppm1      4.558 ppm2      4.791 CV     1
 ASSI {  775}
   (  segid " 1SG" and resid 77   and name HG2%)
   (( segid " 1SG" and resid 77   and name HA  ))
      2.400     0.700     0.700 peak   775 spectrum    1 weight  0.10000E+01 volume  0.44267E-02 ppm1      1.047 ppm2      4.663 CV     1
 ASSI {  776}
   (( segid " 1SG" and resid 108  and name HG1 ))
   (( segid " 1SG" and resid 108  and name HB2 ))
      2.400     0.700     0.700 peak   776 spectrum    1 weight  0.10000E+01 volume  0.44208E-02 ppm1      2.213 ppm2      1.913 CV     1
 OR {  776}
   (( segid " 1SG" and resid 108  and name HG2 ))
   (( segid " 1SG" and resid 108  and name HB2 ))
 ASSI {  777}
   (( segid " 1SG" and resid 65   and name HD1 ))
   (( segid " 1SG" and resid 65   and name HB2 ))
      2.500     0.800     0.800 peak   777 spectrum    1 weight  0.10000E+01 volume  0.44189E-02 ppm1      3.235 ppm2      1.762 CV     1
 OR {  777}
   (( segid " 1SG" and resid 65   and name HD2 ))
   (( segid " 1SG" and resid 65   and name HB1 ))
 OR {  777}
   (( segid " 1SG" and resid 65   and name HD1 ))
   (( segid " 1SG" and resid 65   and name HB1 ))
 OR {  777}
   (( segid " 1SG" and resid 65   and name HD2 ))
   (( segid " 1SG" and resid 65   and name HB2 ))
 ASSI {  778}
   (  segid " 1SG" and resid 39   and name HG2%)
   (  segid " 1SG" and resid 91   and name HG2%)
      2.300     0.700     0.700 peak   778 spectrum    1 weight  0.10000E+01 volume  0.44151E-02 ppm1     -0.446 ppm2      0.165 CV     1
 ASSI {  781}
   (  segid " 1SG" and resid 93   and name HG2%)
   (( segid " 1SG" and resid 36   and name HD2 ))
      2.000     2.000     4.000 peak   781 spectrum    1 weight  0.10000E+01 volume  0.44069E-02 ppm1      0.966 ppm2      3.511 CV     1
 ASSI {  784}
   (( segid " 1SG" and resid 29   and name HA  ))
   (( segid " 1SG" and resid 6    and name HA  ))
      2.900     2.900     3.100 peak   784 spectrum    1 weight  0.10000E+01 volume  0.44007E-02 ppm1      4.446 ppm2      4.446 CV     1
 ASSI {  785}
   (( segid " 1SG" and resid 16   and name HA  ))
   (  segid " 1SG" and resid 16   and name HG1%)
      2.500     0.800     0.800 peak   785 spectrum    1 weight  0.10000E+01 volume  0.43936E-02 ppm1      4.604 ppm2      0.981 CV     1
 ASSI {  787}
   (( segid " 1SG" and resid 61   and name HB2 ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      2.900     2.900     3.100 peak   787 spectrum    1 weight  0.10000E+01 volume  0.43811E-02 ppm1      2.304 ppm2      2.785 CV     1
 ASSI {  789}
   (  segid " 1SG" and resid 79   and name HB% )
   (  segid " 1SG" and resid 104  and name HD2%)
      2.300     0.700     0.700 peak   789 spectrum    1 weight  0.10000E+01 volume  0.43562E-02 ppm1      1.197 ppm2      0.828 CV     1
 ASSI {  794}
   (( segid " 1SG" and resid 38   and name HA  ))
   (  segid " 1SG" and resid 38   and name HG1%)
      2.400     0.700     0.700 peak   794 spectrum    1 weight  0.10000E+01 volume  0.43385E-02 ppm1      3.904 ppm2      0.841 CV     1
 ASSI {  795}
   (( segid " 1SG" and resid 30   and name HA1 ))
   (( segid " 1SG" and resid 30   and name HA2 ))
      2.100     0.500     0.500 peak   795 spectrum    1 weight  0.10000E+01 volume  0.43382E-02 ppm1      3.952 ppm2      4.673 CV     1
 ASSI {  798}
   (( segid " 1SG" and resid 35   and name HE2 ))
   (  segid " 1SG" and resid 38   and name HG2%)
      2.400     0.700     0.700 peak   798 spectrum    1 weight  0.10000E+01 volume  0.43326E-02 ppm1      2.906 ppm2      0.791 CV     1
 OR {  798}
   (( segid " 1SG" and resid 35   and name HE1 ))
   (  segid " 1SG" and resid 38   and name HG2%)
 ASSI {  801}
   (  segid " 1SG" and resid 28   and name HG2%)
   (  segid " 1SG" and resid 91   and name HG2%)
      2.700     0.900     0.900 peak   801 spectrum    1 weight  0.10000E+01 volume  0.43149E-02 ppm1      0.651 ppm2      0.165 CV     1
 ASSI {  802}
   (( segid " 1SG" and resid 79   and name HA  ))
   (  segid " 1SG" and resid 79   and name HB% )
      2.300     0.700     0.700 peak   802 spectrum    1 weight  0.10000E+01 volume  0.43102E-02 ppm1      3.689 ppm2      1.194 CV     1
 ASSI {  804}
   (  segid " 1SG" and resid 91   and name HG2%)
   (  segid " 1SG" and resid 6    and name HD2%)
      2.400     0.700     0.700 peak   804 spectrum    1 weight  0.10000E+01 volume  0.43060E-02 ppm1      0.186 ppm2      0.489 CV     1
 OR {  804}
   (  segid " 1SG" and resid 91   and name HG1%)
   (  segid " 1SG" and resid 6    and name HD2%)
 ASSI {  808}
   (( segid " 1SG" and resid 57   and name HG  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      2.200     0.600     0.600 peak   808 spectrum    1 weight  0.10000E+01 volume  0.42791E-02 ppm1      0.750 ppm2      1.460 CV     1
 ASSI {  814}
   (( segid " 1SG" and resid 34   and name HA  ))
   (( segid " 1SG" and resid 34   and name HB1 ))
      2.400     0.700     0.700 peak   814 spectrum    1 weight  0.10000E+01 volume  0.42599E-02 ppm1      4.298 ppm2      1.673 CV     1
 OR {  814}
   (( segid " 1SG" and resid 34   and name HA  ))
   (( segid " 1SG" and resid 34   and name HB2 ))
 ASSI {  816}
   (  segid " 1SG" and resid 16   and name HG2%)
   (  segid " 1SG" and resid 79   and name HB% )
      2.400     0.700     0.700 peak   816 spectrum    1 weight  0.10000E+01 volume  0.42491E-02 ppm1      0.628 ppm2      1.196 CV     1
 ASSI {  818}
   (( segid " 1SG" and resid 12   and name HG1 ))
   (( segid " 1SG" and resid 12   and name HB2 ))
      2.400     0.700     0.700 peak   818 spectrum    1 weight  0.10000E+01 volume  0.42418E-02 ppm1      2.482 ppm2      1.977 CV     1
 OR {  818}
   (( segid " 1SG" and resid 12   and name HG2 ))
   (( segid " 1SG" and resid 12   and name HB2 ))
 ASSI {  826}
   (  segid " 1SG" and resid 26   and name HB% )
   (( segid " 1SG" and resid 26   and name HA  ))
      2.300     0.700     0.700 peak   826 spectrum    1 weight  0.10000E+01 volume  0.41899E-02 ppm1      1.469 ppm2      4.924 CV     1
 ASSI {  828}
   (( segid " 1SG" and resid 80   and name HG1 ))
   (( segid " 1SG" and resid 80   and name HB1 ))
      2.400     0.700     0.700 peak   828 spectrum    1 weight  0.10000E+01 volume  0.41588E-02 ppm1      2.181 ppm2      1.949 CV     1
 OR {  828}
   (( segid " 1SG" and resid 80   and name HG2 ))
   (( segid " 1SG" and resid 80   and name HB2 ))
 OR {  828}
   (( segid " 1SG" and resid 80   and name HG1 ))
   (( segid " 1SG" and resid 80   and name HB2 ))
 OR {  828}
   (( segid " 1SG" and resid 80   and name HG2 ))
   (( segid " 1SG" and resid 80   and name HB1 ))
 ASSI {  833}
   (  segid " 1SG" and resid 47   and name HG2%)
   (( segid " 1SG" and resid 47   and name HB  ))
      2.300     0.700     0.700 peak   833 spectrum    1 weight  0.10000E+01 volume  0.40625E-02 ppm1      0.794 ppm2      2.534 CV     1
 ASSI {  836}
   (  segid " 1SG" and resid 4    and name HG2%)
   (( segid " 1SG" and resid 4    and name HB  ))
      2.200     0.600     0.600 peak   836 spectrum    1 weight  0.10000E+01 volume  0.40256E-02 ppm1      0.914 ppm2      2.051 CV     1
 ASSI {  837}
   (  segid " 1SG" and resid 33   and name HD1%)
   (  segid " 1SG" and resid 93   and name HG2%)
      2.500     0.800     0.800 peak   837 spectrum    1 weight  0.10000E+01 volume  0.40245E-02 ppm1      0.872 ppm2      1.036 CV     1
 OR {  837}
   (  segid " 1SG" and resid 33   and name HD2%)
   (  segid " 1SG" and resid 93   and name HG2%)
 ASSI {  845}
   (  segid " 1SG" and resid 23   and name HG2%)
   (( segid " 1SG" and resid 23   and name HA  ))
      2.400     0.700     0.700 peak   845 spectrum    1 weight  0.10000E+01 volume  0.39875E-02 ppm1      0.784 ppm2      5.116 CV     1
 ASSI {  852}
   (( segid " 1SG" and resid 45   and name HD2 ))
   (( segid " 1SG" and resid 45   and name HG2 ))
      2.400     0.700     0.700 peak   852 spectrum    1 weight  0.10000E+01 volume  0.39587E-02 ppm1      1.241 ppm2      0.603 CV     1
 OR {  852}
   (( segid " 1SG" and resid 45   and name HD1 ))
   (( segid " 1SG" and resid 45   and name HG2 ))
 OR {  852}
   (( segid " 1SG" and resid 45   and name HD1 ))
   (( segid " 1SG" and resid 45   and name HB2 ))
 OR {  852}
   (( segid " 1SG" and resid 45   and name HD2 ))
   (( segid " 1SG" and resid 45   and name HB2 ))
 ASSI {  854}
   (  segid " 1SG" and resid 39   and name HG2%)
   (( segid " 1SG" and resid 39   and name HB  ))
      2.300     0.700     0.700 peak   854 spectrum    1 weight  0.10000E+01 volume  0.39364E-02 ppm1     -0.446 ppm2      0.589 CV     1
 ASSI {  857}
   (  segid " 1SG" and resid 47   and name HG1%)
   (( segid " 1SG" and resid 47   and name HB  ))
      2.400     0.700     0.700 peak   857 spectrum    1 weight  0.10000E+01 volume  0.38984E-02 ppm1      0.995 ppm2      2.528 CV     1
 ASSI {  859}
   (  segid " 1SG" and resid 104  and name HD2%)
   (  segid " 1SG" and resid 16   and name HG2%)
      2.600     0.800     0.800 peak   859 spectrum    1 weight  0.10000E+01 volume  0.38803E-02 ppm1      0.837 ppm2      0.615 CV     1
 ASSI {  862}
   (  segid " 1SG" and resid 16   and name HG2%)
   (  segid " 1SG" and resid 106  and name HG2%)
      2.500     0.800     0.800 peak   862 spectrum    1 weight  0.10000E+01 volume  0.38717E-02 ppm1      0.633 ppm2      0.390 CV     1
 ASSI {  866}
   (( segid " 1SG" and resid 55   and name HG2 ))
   (( segid " 1SG" and resid 55   and name HA  ))
      2.500     0.800     0.800 peak   866 spectrum    1 weight  0.10000E+01 volume  0.38474E-02 ppm1      1.990 ppm2      4.001 CV     1
 OR {  866}
   (( segid " 1SG" and resid 55   and name HG1 ))
   (( segid " 1SG" and resid 55   and name HA  ))
 ASSI {  867}
   (  segid " 1SG" and resid 59   and name HD2%)
   (( segid " 1SG" and resid 59   and name HA  ))
      2.400     0.700     0.700 peak   867 spectrum    1 weight  0.10000E+01 volume  0.38346E-02 ppm1      0.713 ppm2      5.190 CV     1
 ASSI {  873}
   (( segid " 1SG" and resid 91   and name HB  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      2.300     0.700     0.700 peak   873 spectrum    1 weight  0.10000E+01 volume  0.38088E-02 ppm1      1.132 ppm2      0.172 CV     1
 ASSI {  882}
   (( segid " 1SG" and resid 38   and name HA  ))
   (  segid " 1SG" and resid 38   and name HG2%)
      2.600     0.800     0.800 peak   882 spectrum    1 weight  0.10000E+01 volume  0.37559E-02 ppm1      3.900 ppm2      0.791 CV     1
 ASSI {  885}
   (( segid " 1SG" and resid 62   and name HB2 ))
   (( segid " 1SG" and resid 62   and name HA  ))
      2.600     0.900     0.900 peak   885 spectrum    1 weight  0.10000E+01 volume  0.37433E-02 ppm1      3.814 ppm2      4.609 CV     1
 ASSI {  887}
   (  segid " 1SG" and resid 93   and name HG2%)
   (( segid " 1SG" and resid 93   and name HA  ))
      2.300     0.700     0.700 peak   887 spectrum    1 weight  0.10000E+01 volume  0.37413E-02 ppm1      1.040 ppm2      4.794 CV     1
 ASSI {  894}
   (( segid " 1SG" and resid 52   and name HD2 ))
   (  segid " 1SG" and resid 47   and name HG1%)
      2.400     2.400     3.600 peak   894 spectrum    1 weight  0.10000E+01 volume  0.37083E-02 ppm1      1.585 ppm2      0.965 CV     1
 OR {  894}
   (( segid " 1SG" and resid 52   and name HD1 ))
   (  segid " 1SG" and resid 47   and name HG1%)
 ASSI {  895}
   (( segid " 1SG" and resid 49   and name HG  ))
   (( segid " 1SG" and resid 49   and name HB2 ))
      2.500     0.800     0.800 peak   895 spectrum    1 weight  0.10000E+01 volume  0.37046E-02 ppm1      0.800 ppm2      1.561 CV     1
 ASSI {  896}
   (  segid " 1SG" and resid 106  and name HG2%)
   (( segid " 1SG" and resid 106  and name HB  ))
      2.300     0.700     0.700 peak   896 spectrum    1 weight  0.10000E+01 volume  0.37029E-02 ppm1      0.392 ppm2      1.861 CV     1
 ASSI {  897}
   (  segid " 1SG" and resid 4    and name HD1%)
   (( segid " 1SG" and resid 96   and name HB2 ))
      2.400     0.700     0.700 peak   897 spectrum    1 weight  0.10000E+01 volume  0.36987E-02 ppm1      0.965 ppm2      1.581 CV     1
 ASSI {  902}
   (( segid " 1SG" and resid 96   and name HB2 ))
   (( segid " 1SG" and resid 94   and name HD1 ))
      2.300     0.600     0.600 peak   902 spectrum    1 weight  0.10000E+01 volume  0.36793E-02 ppm1      1.580 ppm2      1.690 CV     1
 OR {  902}
   (( segid " 1SG" and resid 96   and name HB2 ))
   (( segid " 1SG" and resid 94   and name HD2 ))
 ASSI {  908}
   (  segid " 1SG" and resid 106  and name HG1%)
   (( segid " 1SG" and resid 106  and name HB  ))
      2.300     0.700     0.700 peak   908 spectrum    1 weight  0.10000E+01 volume  0.36285E-02 ppm1      0.695 ppm2      1.859 CV     1
 ASSI {  910}
   (( segid " 1SG" and resid 96   and name HB2 ))
   (( segid " 1SG" and resid 96   and name HG2 ))
      2.300     0.700     0.700 peak   910 spectrum    1 weight  0.10000E+01 volume  0.35991E-02 ppm1      1.587 ppm2      1.335 CV     1
 OR {  910}
   (( segid " 1SG" and resid 96   and name HB2 ))
   (( segid " 1SG" and resid 96   and name HG1 ))
 ASSI {  913}
   (  segid " 1SG" and resid 59   and name HD1%)
   (( segid " 1SG" and resid 59   and name HG  ))
      2.300     0.700     0.700 peak   913 spectrum    1 weight  0.10000E+01 volume  0.35780E-02 ppm1      0.866 ppm2      1.440 CV     1
 ASSI {  931}
   (( segid " 1SG" and resid 65   and name HB2 ))
   (( segid " 1SG" and resid 65   and name HA  ))
      2.500     0.800     0.800 peak   931 spectrum    1 weight  0.10000E+01 volume  0.35010E-02 ppm1      1.768 ppm2      3.458 CV     1
 OR {  931}
   (( segid " 1SG" and resid 65   and name HB1 ))
   (( segid " 1SG" and resid 65   and name HA  ))
 ASSI {  932}
   (  segid " 1SG" and resid 71   and name HD1%)
   (( segid " 1SG" and resid 71   and name HA  ))
      2.400     0.700     0.700 peak   932 spectrum    1 weight  0.10000E+01 volume  0.35009E-02 ppm1      0.861 ppm2      5.068 CV     1
 ASSI {  934}
   (  segid " 1SG" and resid 39   and name HG1%)
   (( segid " 1SG" and resid 39   and name HB  ))
      2.400     0.700     0.700 peak   934 spectrum    1 weight  0.10000E+01 volume  0.34948E-02 ppm1     -0.065 ppm2      0.591 CV     1
 ASSI {  935}
   (( segid " 1SG" and resid 49   and name HG  ))
   (( segid " 1SG" and resid 49   and name HA  ))
      2.300     0.700     0.700 peak   935 spectrum    1 weight  0.10000E+01 volume  0.34916E-02 ppm1      0.803 ppm2      3.862 CV     1
 ASSI {  937}
   (( segid " 1SG" and resid 86   and name HA1 ))
   (( segid " 1SG" and resid 86   and name HA2 ))
      2.200     0.600     0.600 peak   937 spectrum    1 weight  0.10000E+01 volume  0.34610E-02 ppm1      3.487 ppm2      4.665 CV     1
 ASSI {  944}
   (( segid " 1SG" and resid 51   and name HA  ))
   (( segid " 1SG" and resid 51   and name HB2 ))
      2.600     0.800     0.800 peak   944 spectrum    1 weight  0.10000E+01 volume  0.34142E-02 ppm1      4.566 ppm2      4.025 CV     1
 ASSI {  949}
   (( segid " 1SG" and resid 16   and name HB  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      2.400     0.700     0.700 peak   949 spectrum    1 weight  0.10000E+01 volume  0.33870E-02 ppm1      1.824 ppm2      0.622 CV     1
 ASSI {  952}
   (( segid " 1SG" and resid 95   and name HA  ))
   (( segid " 1SG" and resid 95   and name HB2 ))
      2.500     0.800     0.800 peak   952 spectrum    1 weight  0.10000E+01 volume  0.33833E-02 ppm1      4.737 ppm2      2.633 CV     1
 ASSI {  953}
   (( segid " 1SG" and resid 77   and name HB  ))
   (( segid " 1SG" and resid 77   and name HA  ))
      2.300     0.600     0.600 peak   953 spectrum    1 weight  0.10000E+01 volume  0.33806E-02 ppm1      4.029 ppm2      4.666 CV     1
 ASSI {  955}
   (( segid " 1SG" and resid 53   and name HA  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      2.400     0.700     0.700 peak   955 spectrum    1 weight  0.10000E+01 volume  0.33755E-02 ppm1      4.054 ppm2      1.080 CV     1
 ASSI {  963}
   (  segid " 1SG" and resid 74   and name HD1%)
   (  segid " 1SG" and resid 49   and name HD2%)
      2.400     0.700     0.700 peak   963 spectrum    1 weight  0.10000E+01 volume  0.33320E-02 ppm1      0.410 ppm2      1.032 CV     1
 OR {  963}
   (  segid " 1SG" and resid 74   and name HD2%)
   (  segid " 1SG" and resid 49   and name HD2%)
 ASSI {  965}
   (( segid " 1SG" and resid 3    and name HD1 ))
   (( segid " 1SG" and resid 4    and name HB  ))
      2.800     2.800     3.200 peak   965 spectrum    1 weight  0.10000E+01 volume  0.33271E-02 ppm1      3.857 ppm2      2.022 CV     1
 OR {  965}
   (( segid " 1SG" and resid 3    and name HD2 ))
   (( segid " 1SG" and resid 4    and name HB  ))
 ASSI {  966}
   (( segid " 1SG" and resid 61   and name HA  ))
   (( segid " 1SG" and resid 72   and name HA  ))
      2.100     0.500     0.500 peak   966 spectrum    1 weight  0.10000E+01 volume  0.33213E-02 ppm1      5.559 ppm2      5.379 CV     1
 ASSI {  969}
   (  segid " 1SG" and resid 47   and name HG2%)
   (( segid " 1SG" and resid 47   and name HA  ))
      2.700     0.900     0.900 peak   969 spectrum    1 weight  0.10000E+01 volume  0.33082E-02 ppm1      0.793 ppm2      4.074 CV     1
 ASSI {  972}
   (  segid " 1SG" and resid 106  and name HG1%)
   (( segid " 1SG" and resid 106  and name HA  ))
      2.800     1.000     1.000 peak   972 spectrum    1 weight  0.10000E+01 volume  0.32861E-02 ppm1      0.694 ppm2      4.732 CV     1
 ASSI {  978}
   (  segid " 1SG" and resid 104  and name HD1%)
   (( segid " 1SG" and resid 104  and name HA  ))
      2.900     1.000     1.000 peak   978 spectrum    1 weight  0.10000E+01 volume  0.32695E-02 ppm1      0.981 ppm2      5.437 CV     1
 ASSI {  984}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 104  and name HB2 ))
      2.600     0.900     0.900 peak   984 spectrum    1 weight  0.10000E+01 volume  0.32325E-02 ppm1      0.549 ppm2      1.243 CV     1
 OR {  984}
   (  segid " 1SG" and resid 22   and name HD1%)
   (( segid " 1SG" and resid 104  and name HB2 ))
 ASSI {  986}
   (  segid " 1SG" and resid 74   and name HD1%)
   (( segid " 1SG" and resid 74   and name HG  ))
      2.400     0.700     0.700 peak   986 spectrum    1 weight  0.10000E+01 volume  0.32226E-02 ppm1      0.409 ppm2      1.098 CV     1
 OR {  986}
   (  segid " 1SG" and resid 74   and name HD2%)
   (( segid " 1SG" and resid 74   and name HG  ))
 ASSI {  990}
   (  segid " 1SG" and resid 18   and name HG2%)
   (( segid " 1SG" and resid 108  and name HA  ))
      2.400     0.700     0.700 peak   990 spectrum    1 weight  0.10000E+01 volume  0.32183E-02 ppm1      0.965 ppm2      4.151 CV     1
 ASSI {  991}
   (( segid " 1SG" and resid 55   and name HB2 ))
   (( segid " 1SG" and resid 55   and name HA  ))
      2.600     0.800     0.800 peak   991 spectrum    1 weight  0.10000E+01 volume  0.32151E-02 ppm1      1.787 ppm2      4.002 CV     1
 ASSI {  992}
   (( segid " 1SG" and resid 106  and name HA  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      2.500     0.800     0.800 peak   992 spectrum    1 weight  0.10000E+01 volume  0.32129E-02 ppm1      4.730 ppm2      0.388 CV     1
 ASSI {  993}
   (  segid " 1SG" and resid 4    and name HG2%)
   (( segid " 1SG" and resid 96   and name HB2 ))
      2.500     0.800     0.800 peak   993 spectrum    1 weight  0.10000E+01 volume  0.32047E-02 ppm1      0.918 ppm2      1.588 CV     1
 ASSI { 1004}
   (( segid " 1SG" and resid 33   and name HA  ))
   (( segid " 1SG" and resid 33   and name HB2 ))
      2.400     0.700     0.700 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.31488E-02 ppm1      4.459 ppm2      1.732 CV     1
 ASSI { 1006}
   (( segid " 1SG" and resid 57   and name HA  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      2.200     0.600     0.600 peak  1006 spectrum    1 weight  0.10000E+01 volume  0.31439E-02 ppm1      5.429 ppm2      1.472 CV     1
 ASSI { 1008}
   (( segid " 1SG" and resid 77   and name HA  ))
   (( segid " 1SG" and resid 21   and name HA  ))
      2.100     0.600     0.600 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.31399E-02 ppm1      4.665 ppm2      5.519 CV     1
 ASSI { 1009}
   (( segid " 1SG" and resid 84   and name HA  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      2.500     0.800     0.800 peak  1009 spectrum    1 weight  0.10000E+01 volume  0.31362E-02 ppm1      4.230 ppm2      1.496 CV     1
 ASSI { 1011}
   (  segid " 1SG" and resid 59   and name HD1%)
   (  segid " 1SG" and resid 53   and name HG2%)
      2.500     0.800     0.800 peak  1011 spectrum    1 weight  0.10000E+01 volume  0.31304E-02 ppm1      0.870 ppm2      1.085 CV     1
 ASSI { 1019}
   (( segid " 1SG" and resid 35   and name HA  ))
   (( segid " 1SG" and resid 36   and name HD2 ))
      2.500     0.800     0.800 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.30997E-02 ppm1      4.673 ppm2      3.509 CV     1
 ASSI { 1021}
   (  segid " 1SG" and resid 22   and name HD1%)
   (( segid " 1SG" and resid 22   and name HG12))
      2.500     0.800     0.800 peak  1021 spectrum    1 weight  0.10000E+01 volume  0.30936E-02 ppm1      0.548 ppm2      0.108 CV     1
 OR { 1021}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 22   and name HG12))
 ASSI { 1037}
   (  segid " 1SG" and resid 91   and name HG2%)
   (( segid " 1SG" and resid 91   and name HA  ))
      2.600     0.800     0.800 peak  1037 spectrum    1 weight  0.10000E+01 volume  0.30372E-02 ppm1      0.180 ppm2      4.756 CV     1
 OR { 1037}
   (  segid " 1SG" and resid 91   and name HG1%)
   (( segid " 1SG" and resid 91   and name HA  ))
 ASSI { 1038}
   (( segid " 1SG" and resid 53   and name HB  ))
   (( segid " 1SG" and resid 52   and name HB2 ))
      2.100     2.100     3.900 peak  1038 spectrum    1 weight  0.10000E+01 volume  0.30369E-02 ppm1      2.169 ppm2      1.731 CV     1
 ASSI { 1047}
   (( segid " 1SG" and resid 16   and name HB  ))
   (( segid " 1SG" and resid 16   and name HA  ))
      2.500     0.800     0.800 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.29998E-02 ppm1      1.820 ppm2      4.604 CV     1
 ASSI { 1051}
   (( segid " 1SG" and resid 43   and name HD2 ))
   (  segid " 1SG" and resid 59   and name HD1%)
      3.100     3.100     2.900 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.29888E-02 ppm1      1.331 ppm2      0.856 CV     1
 OR { 1051}
   (( segid " 1SG" and resid 43   and name HD1 ))
   (  segid " 1SG" and resid 59   and name HD1%)
 ASSI { 1055}
   (( segid " 1SG" and resid 71   and name HB2 ))
   (( segid " 1SG" and resid 69   and name HB  ))
      2.500     2.500     3.500 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.29769E-02 ppm1      1.264 ppm2      1.770 CV     1
 ASSI { 1057}
   (  segid " 1SG" and resid 79   and name HB% )
   (  segid " 1SG" and resid 106  and name HG2%)
      2.500     0.800     0.800 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.29733E-02 ppm1      1.196 ppm2      0.392 CV     1
 ASSI { 1058}
   (( segid " 1SG" and resid 94   and name HB2 ))
   (( segid " 1SG" and resid 94   and name HG2 ))
      2.500     0.800     0.800 peak  1058 spectrum    1 weight  0.10000E+01 volume  0.29667E-02 ppm1      1.791 ppm2      1.414 CV     1
 OR { 1058}
   (( segid " 1SG" and resid 94   and name HB2 ))
   (( segid " 1SG" and resid 94   and name HG1 ))
 ASSI { 1065}
   (( segid " 1SG" and resid 45   and name HG2 ))
   (  segid " 1SG" and resid 104  and name HD2%)
      2.700     2.700     3.300 peak  1065 spectrum    1 weight  0.10000E+01 volume  0.29404E-02 ppm1      0.602 ppm2      0.823 CV     1
 ASSI { 1068}
   (( segid " 1SG" and resid 35   and name HB2 ))
   (( segid " 1SG" and resid 35   and name HG2 ))
      2.500     0.800     0.800 peak  1068 spectrum    1 weight  0.10000E+01 volume  0.29223E-02 ppm1      1.791 ppm2      1.358 CV     1
 OR { 1068}
   (( segid " 1SG" and resid 35   and name HB1 ))
   (( segid " 1SG" and resid 35   and name HG2 ))
 OR { 1068}
   (( segid " 1SG" and resid 35   and name HB2 ))
   (( segid " 1SG" and resid 35   and name HG1 ))
 OR { 1068}
   (( segid " 1SG" and resid 35   and name HB1 ))
   (( segid " 1SG" and resid 35   and name HG1 ))
 ASSI { 1077}
   (  segid " 1SG" and resid 69   and name HG1%)
   (( segid " 1SG" and resid 29   and name HA  ))
      2.600     0.800     0.800 peak  1077 spectrum    1 weight  0.10000E+01 volume  0.28859E-02 ppm1      0.863 ppm2      4.391 CV     1
 OR { 1077}
   (  segid " 1SG" and resid 69   and name HG2%)
   (( segid " 1SG" and resid 29   and name HA  ))
 ASSI { 1078}
   (( segid " 1SG" and resid 76   and name HB  ))
   (  segid " 1SG" and resid 76   and name HG2%)
      2.500     0.800     0.800 peak  1078 spectrum    1 weight  0.10000E+01 volume  0.28671E-02 ppm1      1.936 ppm2      0.826 CV     1
 ASSI { 1080}
   (( segid " 1SG" and resid 58   and name HB1 ))
   (( segid " 1SG" and resid 58   and name HG2 ))
      2.500     0.800     0.800 peak  1080 spectrum    1 weight  0.10000E+01 volume  0.28611E-02 ppm1      2.406 ppm2      1.814 CV     1
 OR { 1080}
   (( segid " 1SG" and resid 58   and name HB2 ))
   (( segid " 1SG" and resid 58   and name HG2 ))
 ASSI { 1082}
   (( segid " 1SG" and resid 57   and name HG  ))
   (  segid " 1SG" and resid 74   and name HD1%)
      2.800     1.000     1.000 peak  1082 spectrum    1 weight  0.10000E+01 volume  0.28556E-02 ppm1      0.751 ppm2      0.415 CV     1
 OR { 1082}
   (( segid " 1SG" and resid 57   and name HG  ))
   (  segid " 1SG" and resid 74   and name HD2%)
 ASSI { 1083}
   (( segid " 1SG" and resid 22   and name HG12))
   (( segid " 1SG" and resid 104  and name HB2 ))
      2.300     0.700     0.700 peak  1083 spectrum    1 weight  0.10000E+01 volume  0.28549E-02 ppm1      0.106 ppm2      1.251 CV     1
 ASSI { 1088}
   (  segid " 1SG" and resid 39   and name HG2%)
   (( segid " 1SG" and resid 39   and name HA  ))
      2.500     0.800     0.800 peak  1088 spectrum    1 weight  0.10000E+01 volume  0.28512E-02 ppm1     -0.447 ppm2      4.803 CV     1
 ASSI { 1092}
   (( segid " 1SG" and resid 18   and name HA  ))
   (  segid " 1SG" and resid 18   and name HG1%)
      2.500     0.800     0.800 peak  1092 spectrum    1 weight  0.10000E+01 volume  0.28281E-02 ppm1      3.510 ppm2      0.968 CV     1
 OR { 1092}
   (( segid " 1SG" and resid 18   and name HA  ))
   (  segid " 1SG" and resid 18   and name HG2%)
 ASSI { 1095}
   (( segid " 1SG" and resid 9    and name HG2 ))
   (( segid " 1SG" and resid 9    and name HB2 ))
      2.600     0.900     0.900 peak  1095 spectrum    1 weight  0.10000E+01 volume  0.28198E-02 ppm1      2.524 ppm2      1.911 CV     1
 ASSI { 1097}
   (( segid " 1SG" and resid 18   and name HA  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      2.400     0.700     0.700 peak  1097 spectrum    1 weight  0.10000E+01 volume  0.28109E-02 ppm1      3.516 ppm2      0.390 CV     1
 ASSI { 1101}
   (  segid " 1SG" and resid 28   and name HG1%)
   (  segid " 1SG" and resid 91   and name HG2%)
      2.600     0.800     0.800 peak  1101 spectrum    1 weight  0.10000E+01 volume  0.27864E-02 ppm1      0.830 ppm2      0.179 CV     1
 OR { 1101}
   (  segid " 1SG" and resid 28   and name HG1%)
   (  segid " 1SG" and resid 91   and name HG1%)
 ASSI { 1102}
   (( segid " 1SG" and resid 27   and name HD1 ))
   (( segid " 1SG" and resid 27   and name HG1 ))
      2.500     0.800     0.800 peak  1102 spectrum    1 weight  0.10000E+01 volume  0.27825E-02 ppm1      3.131 ppm2      1.704 CV     1
 OR { 1102}
   (( segid " 1SG" and resid 27   and name HD2 ))
   (( segid " 1SG" and resid 27   and name HG2 ))
 OR { 1102}
   (( segid " 1SG" and resid 27   and name HD2 ))
   (( segid " 1SG" and resid 27   and name HG1 ))
 OR { 1102}
   (( segid " 1SG" and resid 27   and name HD1 ))
   (( segid " 1SG" and resid 27   and name HG2 ))
 ASSI { 1105}
   (  segid " 1SG" and resid 28   and name HG2%)
   (( segid " 1SG" and resid 28   and name HA  ))
      2.500     0.800     0.800 peak  1105 spectrum    1 weight  0.10000E+01 volume  0.27617E-02 ppm1      0.652 ppm2      4.910 CV     1
 ASSI { 1109}
   (( segid " 1SG" and resid 3    and name HB1 ))
   (( segid " 1SG" and resid 3    and name HA  ))
      2.500     0.800     0.800 peak  1109 spectrum    1 weight  0.10000E+01 volume  0.27537E-02 ppm1      2.293 ppm2      4.452 CV     1
 OR { 1109}
   (( segid " 1SG" and resid 3    and name HB2 ))
   (( segid " 1SG" and resid 3    and name HA  ))
 ASSI { 1115}
   (( segid " 1SG" and resid 52   and name HD1 ))
   (( segid " 1SG" and resid 52   and name HA  ))
      2.600     0.800     0.800 peak  1115 spectrum    1 weight  0.10000E+01 volume  0.27474E-02 ppm1      1.579 ppm2      4.625 CV     1
 OR { 1115}
   (( segid " 1SG" and resid 52   and name HD2 ))
   (( segid " 1SG" and resid 52   and name HA  ))
 ASSI { 1118}
   (( segid " 1SG" and resid 43   and name HD1 ))
   (  segid " 1SG" and resid 47   and name HG1%)
      2.700     0.900     0.900 peak  1118 spectrum    1 weight  0.10000E+01 volume  0.27299E-02 ppm1      1.324 ppm2      0.983 CV     1
 OR { 1118}
   (( segid " 1SG" and resid 43   and name HD2 ))
   (  segid " 1SG" and resid 47   and name HG1%)
 ASSI { 1127}
   (( segid " 1SG" and resid 107  and name HA  ))
   (( segid " 1SG" and resid 107  and name HB2 ))
      2.600     0.800     0.800 peak  1127 spectrum    1 weight  0.10000E+01 volume  0.26998E-02 ppm1      4.805 ppm2      3.085 CV     1
 OR { 1127}
   (( segid " 1SG" and resid 107  and name HA  ))
   (( segid " 1SG" and resid 107  and name HB1 ))
 ASSI { 1129}
   (( segid " 1SG" and resid 96   and name HA  ))
   (( segid " 1SG" and resid 96   and name HG1 ))
      2.600     0.800     0.800 peak  1129 spectrum    1 weight  0.10000E+01 volume  0.26933E-02 ppm1      4.790 ppm2      1.336 CV     1
 OR { 1129}
   (( segid " 1SG" and resid 96   and name HA  ))
   (( segid " 1SG" and resid 96   and name HG2 ))
 ASSI { 1135}
   (  segid " 1SG" and resid 59   and name HD2%)
   (( segid " 1SG" and resid 74   and name HA  ))
      2.900     1.100     1.100 peak  1135 spectrum    1 weight  0.10000E+01 volume  0.26803E-02 ppm1      0.717 ppm2      4.346 CV     1
 ASSI { 1151}
   (( segid " 1SG" and resid 18   and name HA  ))
   (  segid " 1SG" and resid 18   and name HG1%)
      2.600     0.800     0.800 peak  1151 spectrum    1 weight  0.10000E+01 volume  0.26402E-02 ppm1      3.513 ppm2      1.007 CV     1
 ASSI { 1152}
   (  segid " 1SG" and resid 69   and name HG1%)
   (( segid " 1SG" and resid 27   and name HD2 ))
      2.700     0.900     0.900 peak  1152 spectrum    1 weight  0.10000E+01 volume  0.26401E-02 ppm1      0.852 ppm2      3.126 CV     1
 OR { 1152}
   (  segid " 1SG" and resid 69   and name HG1%)
   (( segid " 1SG" and resid 27   and name HD1 ))
 ASSI { 1153}
   (( segid " 1SG" and resid 17   and name HA  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      2.600     0.800     0.800 peak  1153 spectrum    1 weight  0.10000E+01 volume  0.26396E-02 ppm1      4.789 ppm2      1.298 CV     1
 ASSI { 1154}
   (( segid " 1SG" and resid 15   and name HA  ))
   (( segid " 1SG" and resid 15   and name HB1 ))
      2.600     0.800     0.800 peak  1154 spectrum    1 weight  0.10000E+01 volume  0.26390E-02 ppm1      5.494 ppm2      2.015 CV     1
 OR { 1154}
   (( segid " 1SG" and resid 15   and name HA  ))
   (( segid " 1SG" and resid 15   and name HB2 ))
 ASSI { 1155}
   (( segid " 1SG" and resid 71   and name HB2 ))
   (  segid " 1SG" and resid 8    and name HG2%)
      2.200     2.200     3.800 peak  1155 spectrum    1 weight  0.10000E+01 volume  0.26362E-02 ppm1      1.326 ppm2      0.961 CV     1
 OR { 1155}
   (( segid " 1SG" and resid 71   and name HB2 ))
   (  segid " 1SG" and resid 8    and name HG1%)
 ASSI { 1156}
   (  segid " 1SG" and resid 59   and name HD2%)
   (( segid " 1SG" and resid 59   and name HB1 ))
      2.700     0.900     0.900 peak  1156 spectrum    1 weight  0.10000E+01 volume  0.26335E-02 ppm1      0.714 ppm2      1.697 CV     1
 OR { 1156}
   (  segid " 1SG" and resid 59   and name HD2%)
   (( segid " 1SG" and resid 59   and name HB2 ))
 ASSI { 1161}
   (( segid " 1SG" and resid 59   and name HB1 ))
   (  segid " 1SG" and resid 59   and name HD1%)
      2.500     0.800     0.800 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.26101E-02 ppm1      1.712 ppm2      0.868 CV     1
 OR { 1161}
   (( segid " 1SG" and resid 59   and name HB2 ))
   (  segid " 1SG" and resid 59   and name HD1%)
 ASSI { 1176}
   (  segid " 1SG" and resid 4    and name HG2%)
   (  segid " 1SG" and resid 6    and name HD2%)
      2.900     1.000     1.000 peak  1176 spectrum    1 weight  0.10000E+01 volume  0.25567E-02 ppm1      0.914 ppm2      0.491 CV     1
 ASSI { 1183}
   (( segid " 1SG" and resid 45   and name HA  ))
   (( segid " 1SG" and resid 45   and name HB2 ))
      2.700     0.900     0.900 peak  1183 spectrum    1 weight  0.10000E+01 volume  0.25389E-02 ppm1      3.497 ppm2      0.609 CV     1
 OR { 1183}
   (( segid " 1SG" and resid 45   and name HA  ))
   (( segid " 1SG" and resid 45   and name HG2 ))
 ASSI { 1189}
   (( segid " 1SG" and resid 94   and name HA  ))
   (( segid " 1SG" and resid 94   and name HB2 ))
      2.700     0.900     0.900 peak  1189 spectrum    1 weight  0.10000E+01 volume  0.25295E-02 ppm1      4.042 ppm2      1.799 CV     1
 ASSI { 1190}
   (( segid " 1SG" and resid 2    and name HB2 ))
   (( segid " 1SG" and resid 1    and name HA  ))
      3.000     1.100     1.100 peak  1190 spectrum    1 weight  0.10000E+01 volume  0.25284E-02 ppm1      2.684 ppm2      4.619 CV     1
 ASSI { 1191}
   (  segid " 1SG" and resid 76   and name HD1%)
   (( segid " 1SG" and resid 59   and name HG  ))
      2.200     2.200     3.800 peak  1191 spectrum    1 weight  0.10000E+01 volume  0.25256E-02 ppm1      0.677 ppm2      1.411 CV     1
 ASSI { 1193}
   (( segid " 1SG" and resid 43   and name HE2 ))
   (( segid " 1SG" and resid 43   and name HD1 ))
      2.600     0.800     0.800 peak  1193 spectrum    1 weight  0.10000E+01 volume  0.25217E-02 ppm1      2.518 ppm2      1.326 CV     1
 OR { 1193}
   (( segid " 1SG" and resid 43   and name HE2 ))
   (( segid " 1SG" and resid 43   and name HD2 ))
 ASSI { 1202}
   (( segid " 1SG" and resid 2    and name HB2 ))
   (( segid " 1SG" and resid 96   and name HE2 ))
      2.900     2.900     3.100 peak  1202 spectrum    1 weight  0.10000E+01 volume  0.24660E-02 ppm1      2.692 ppm2      2.944 CV     1
 OR { 1202}
   (( segid " 1SG" and resid 2    and name HB2 ))
   (( segid " 1SG" and resid 96   and name HE1 ))
 ASSI { 1205}
   (  segid " 1SG" and resid 28   and name HG2%)
   (( segid " 1SG" and resid 28   and name HB  ))
      2.500     0.800     0.800 peak  1205 spectrum    1 weight  0.10000E+01 volume  0.24603E-02 ppm1      0.652 ppm2      1.978 CV     1
 ASSI { 1215}
   (( segid " 1SG" and resid 25   and name HB2 ))
   (  segid " 1SG" and resid 71   and name HD1%)
      2.700     0.900     0.900 peak  1215 spectrum    1 weight  0.10000E+01 volume  0.24226E-02 ppm1      3.603 ppm2      0.862 CV     1
 ASSI { 1219}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 22   and name HB  ))
      2.500     0.800     0.800 peak  1219 spectrum    1 weight  0.10000E+01 volume  0.24131E-02 ppm1      0.612 ppm2      1.535 CV     1
 ASSI { 1220}
   (  segid " 1SG" and resid 28   and name HG1%)
   (( segid " 1SG" and resid 28   and name HB  ))
      2.500     0.800     0.800 peak  1220 spectrum    1 weight  0.10000E+01 volume  0.24053E-02 ppm1      0.816 ppm2      1.976 CV     1
 ASSI { 1223}
   (( segid " 1SG" and resid 53   and name HB  ))
   (( segid " 1SG" and resid 53   and name HA  ))
      2.600     0.900     0.900 peak  1223 spectrum    1 weight  0.10000E+01 volume  0.23951E-02 ppm1      2.132 ppm2      4.051 CV     1
 ASSI { 1236}
   (( segid " 1SG" and resid 59   and name HA  ))
   (( segid " 1SG" and resid 59   and name HB2 ))
      2.500     0.800     0.800 peak  1236 spectrum    1 weight  0.10000E+01 volume  0.23644E-02 ppm1      5.198 ppm2      1.702 CV     1
 OR { 1236}
   (( segid " 1SG" and resid 59   and name HA  ))
   (( segid " 1SG" and resid 59   and name HB1 ))
 ASSI { 1239}
   (( segid " 1SG" and resid 64   and name HA  ))
   (( segid " 1SG" and resid 64   and name HB2 ))
      2.700     0.900     0.900 peak  1239 spectrum    1 weight  0.10000E+01 volume  0.23601E-02 ppm1      4.580 ppm2      2.354 CV     1
 ASSI { 1242}
   (( segid " 1SG" and resid 43   and name HD2 ))
   (( segid " 1SG" and resid 57   and name HG  ))
      2.500     0.800     0.800 peak  1242 spectrum    1 weight  0.10000E+01 volume  0.23543E-02 ppm1      1.333 ppm2      0.743 CV     1
 OR { 1242}
   (( segid " 1SG" and resid 43   and name HD1 ))
   (( segid " 1SG" and resid 57   and name HG  ))
 ASSI { 1243}
   (( segid " 1SG" and resid 22   and name HG12))
   (  segid " 1SG" and resid 22   and name HD1%)
      2.600     0.800     0.800 peak  1243 spectrum    1 weight  0.10000E+01 volume  0.23506E-02 ppm1      0.102 ppm2      0.551 CV     1
 ASSI { 1244}
   (( segid " 1SG" and resid 52   and name HE2 ))
   (( segid " 1SG" and resid 52   and name HD2 ))
      2.600     0.800     0.800 peak  1244 spectrum    1 weight  0.10000E+01 volume  0.23479E-02 ppm1      2.788 ppm2      1.574 CV     1
 OR { 1244}
   (( segid " 1SG" and resid 52   and name HE2 ))
   (( segid " 1SG" and resid 52   and name HD1 ))
 ASSI { 1246}
   (  segid " 1SG" and resid 104  and name HD1%)
   (( segid " 1SG" and resid 104  and name HB2 ))
      2.400     0.700     0.700 peak  1246 spectrum    1 weight  0.10000E+01 volume  0.23442E-02 ppm1      0.976 ppm2      1.219 CV     1
 ASSI { 1251}
   (( segid " 1SG" and resid 80   and name HA  ))
   (( segid " 1SG" and resid 81   and name HD2 ))
      2.600     0.900     0.900 peak  1251 spectrum    1 weight  0.10000E+01 volume  0.23307E-02 ppm1      4.639 ppm2      3.592 CV     1
 ASSI { 1254}
   (( segid " 1SG" and resid 57   and name HA  ))
   (( segid " 1SG" and resid 76   and name HA  ))
      2.400     0.700     0.700 peak  1254 spectrum    1 weight  0.10000E+01 volume  0.23247E-02 ppm1      5.425 ppm2      5.012 CV     1
 ASSI { 1259}
   (( segid " 1SG" and resid 22   and name HA  ))
   (( segid " 1SG" and resid 22   and name HB  ))
      2.500     0.800     0.800 peak  1259 spectrum    1 weight  0.10000E+01 volume  0.23173E-02 ppm1      4.352 ppm2      1.534 CV     1
 ASSI { 1267}
   (( segid " 1SG" and resid 59   and name HG  ))
   (( segid " 1SG" and resid 57   and name HG  ))
      3.200     3.200     2.800 peak  1267 spectrum    1 weight  0.10000E+01 volume  0.22942E-02 ppm1      1.460 ppm2      0.749 CV     1
 ASSI { 1272}
   (( segid " 1SG" and resid 58   and name HA  ))
   (( segid " 1SG" and resid 58   and name HB1 ))
      2.600     0.800     0.800 peak  1272 spectrum    1 weight  0.10000E+01 volume  0.22814E-02 ppm1      4.626 ppm2      2.405 CV     1
 OR { 1272}
   (( segid " 1SG" and resid 58   and name HA  ))
   (( segid " 1SG" and resid 58   and name HB2 ))
 ASSI { 1274}
   (( segid " 1SG" and resid 65   and name HA  ))
   (( segid " 1SG" and resid 65   and name HG2 ))
      2.700     0.900     0.900 peak  1274 spectrum    1 weight  0.10000E+01 volume  0.22719E-02 ppm1      3.458 ppm2      1.692 CV     1
 OR { 1274}
   (( segid " 1SG" and resid 65   and name HA  ))
   (( segid " 1SG" and resid 65   and name HG1 ))
 ASSI { 1281}
   (( segid " 1SG" and resid 49   and name HG  ))
   (( segid " 1SG" and resid 43   and name HD2 ))
      2.600     0.800     0.800 peak  1281 spectrum    1 weight  0.10000E+01 volume  0.22597E-02 ppm1      0.802 ppm2      1.337 CV     1
 OR { 1281}
   (( segid " 1SG" and resid 49   and name HG  ))
   (( segid " 1SG" and resid 43   and name HD1 ))
 ASSI { 1282}
   (( segid " 1SG" and resid 78   and name HA  ))
   (( segid " 1SG" and resid 78   and name HB2 ))
      2.600     0.900     0.900 peak  1282 spectrum    1 weight  0.10000E+01 volume  0.22576E-02 ppm1      4.117 ppm2      2.383 CV     1
 ASSI { 1285}
   (  segid " 1SG" and resid 8    and name HG2%)
   (( segid " 1SG" and resid 29   and name HA  ))
      2.700     0.900     0.900 peak  1285 spectrum    1 weight  0.10000E+01 volume  0.22529E-02 ppm1      0.964 ppm2      4.391 CV     1
 OR { 1285}
   (  segid " 1SG" and resid 8    and name HG1%)
   (( segid " 1SG" and resid 29   and name HA  ))
 ASSI { 1286}
   (  segid " 1SG" and resid 8    and name HG2%)
   (  segid " 1SG" and resid 6    and name HD2%)
      3.100     3.100     2.900 peak  1286 spectrum    1 weight  0.10000E+01 volume  0.22523E-02 ppm1      0.928 ppm2      0.476 CV     1
 OR { 1286}
   (  segid " 1SG" and resid 8    and name HG1%)
   (  segid " 1SG" and resid 6    and name HD2%)
 ASSI { 1288}
   (( segid " 1SG" and resid 96   and name HA  ))
   (( segid " 1SG" and resid 94   and name HE2 ))
      2.800     1.000     1.000 peak  1288 spectrum    1 weight  0.10000E+01 volume  0.22377E-02 ppm1      4.809 ppm2      3.001 CV     1
 OR { 1288}
   (( segid " 1SG" and resid 96   and name HA  ))
   (( segid " 1SG" and resid 94   and name HE1 ))
 ASSI { 1295}
   (  segid " 1SG" and resid 76   and name HG2%)
   (  segid " 1SG" and resid 79   and name HB% )
      2.700     0.900     0.900 peak  1295 spectrum    1 weight  0.10000E+01 volume  0.22265E-02 ppm1      0.828 ppm2      1.193 CV     1
 ASSI { 1297}
   (( segid " 1SG" and resid 52   and name HE2 ))
   (( segid " 1SG" and resid 52   and name HG1 ))
      2.800     1.000     1.000 peak  1297 spectrum    1 weight  0.10000E+01 volume  0.22233E-02 ppm1      2.788 ppm2      1.344 CV     1
 OR { 1297}
   (( segid " 1SG" and resid 52   and name HE2 ))
   (( segid " 1SG" and resid 52   and name HG2 ))
 ASSI { 1298}
   (( segid " 1SG" and resid 49   and name HG  ))
   (( segid " 1SG" and resid 43   and name HB2 ))
      2.400     0.700     0.700 peak  1298 spectrum    1 weight  0.10000E+01 volume  0.22211E-02 ppm1      0.801 ppm2      1.228 CV     1
 ASSI { 1302}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 22   and name HG12))
      2.600     0.900     0.900 peak  1302 spectrum    1 weight  0.10000E+01 volume  0.22133E-02 ppm1      0.611 ppm2      0.097 CV     1
 ASSI { 1303}
   (( segid " 1SG" and resid 94   and name HG1 ))
   (( segid " 1SG" and resid 94   and name HA  ))
      3.100     1.200     1.200 peak  1303 spectrum    1 weight  0.10000E+01 volume  0.22131E-02 ppm1      1.416 ppm2      4.044 CV     1
 OR { 1303}
   (( segid " 1SG" and resid 94   and name HG2 ))
   (( segid " 1SG" and resid 94   and name HA  ))
 ASSI { 1309}
   (( segid " 1SG" and resid 96   and name HA  ))
   (( segid " 1SG" and resid 96   and name HB2 ))
      2.600     0.800     0.800 peak  1309 spectrum    1 weight  0.10000E+01 volume  0.22065E-02 ppm1      4.786 ppm2      1.579 CV     1
 ASSI { 1319}
   (  segid " 1SG" and resid 76   and name HG2%)
   (( segid " 1SG" and resid 76   and name HA  ))
      2.600     0.800     0.800 peak  1319 spectrum    1 weight  0.10000E+01 volume  0.21864E-02 ppm1      0.823 ppm2      5.012 CV     1
 ASSI { 1323}
   (( segid " 1SG" and resid 9    and name HG2 ))
   (( segid " 1SG" and resid 9    and name HA  ))
      2.800     1.000     1.000 peak  1323 spectrum    1 weight  0.10000E+01 volume  0.21790E-02 ppm1      2.535 ppm2      4.651 CV     1
 ASSI { 1324}
   (  segid " 1SG" and resid 6    and name HD2%)
   (  segid " 1SG" and resid 93   and name HG2%)
      2.900     1.100     1.100 peak  1324 spectrum    1 weight  0.10000E+01 volume  0.21768E-02 ppm1      0.426 ppm2      1.033 CV     1
 ASSI { 1327}
   (( segid " 1SG" and resid 68   and name HE2 ))
   (( segid " 1SG" and resid 37   and name HD2 ))
      2.600     2.600     3.400 peak  1327 spectrum    1 weight  0.10000E+01 volume  0.21694E-02 ppm1      3.032 ppm2      2.376 CV     1
 OR { 1327}
   (( segid " 1SG" and resid 68   and name HE1 ))
   (( segid " 1SG" and resid 37   and name HD2 ))
 ASSI { 1333}
   (( segid " 1SG" and resid 3    and name HA  ))
   (( segid " 1SG" and resid 4    and name HB  ))
      3.400     1.400     1.400 peak  1333 spectrum    1 weight  0.10000E+01 volume  0.21528E-02 ppm1      4.450 ppm2      2.008 CV     1
 ASSI { 1335}
   (( segid " 1SG" and resid 27   and name HA  ))
   (( segid " 1SG" and resid 27   and name HB1 ))
      2.500     0.800     0.800 peak  1335 spectrum    1 weight  0.10000E+01 volume  0.21439E-02 ppm1      5.836 ppm2      1.599 CV     1
 OR { 1335}
   (( segid " 1SG" and resid 27   and name HA  ))
   (( segid " 1SG" and resid 27   and name HB2 ))
 ASSI { 1338}
   (( segid " 1SG" and resid 19   and name HA1 ))
   (( segid " 1SG" and resid 78   and name HA  ))
      2.800     1.000     1.000 peak  1338 spectrum    1 weight  0.10000E+01 volume  0.21380E-02 ppm1      4.274 ppm2      4.121 CV     1
 OR { 1338}
   (( segid " 1SG" and resid 19   and name HA2 ))
   (( segid " 1SG" and resid 78   and name HA  ))
 ASSI { 1343}
   (( segid " 1SG" and resid 35   and name HB2 ))
   (( segid " 1SG" and resid 35   and name HA  ))
      2.600     0.800     0.800 peak  1343 spectrum    1 weight  0.10000E+01 volume  0.21317E-02 ppm1      1.791 ppm2      4.667 CV     1
 OR { 1343}
   (( segid " 1SG" and resid 35   and name HB1 ))
   (( segid " 1SG" and resid 35   and name HA  ))
 ASSI { 1346}
   (  segid " 1SG" and resid 69   and name HG2%)
   (( segid " 1SG" and resid 67   and name HB2 ))
      2.700     0.900     0.900 peak  1346 spectrum    1 weight  0.10000E+01 volume  0.21261E-02 ppm1      0.868 ppm2      3.737 CV     1
 OR { 1346}
   (  segid " 1SG" and resid 69   and name HG2%)
   (( segid " 1SG" and resid 67   and name HB1 ))
 ASSI { 1351}
   (( segid " 1SG" and resid 59   and name HB2 ))
   (( segid " 1SG" and resid 59   and name HG  ))
      2.500     0.800     0.800 peak  1351 spectrum    1 weight  0.10000E+01 volume  0.21149E-02 ppm1      1.699 ppm2      1.439 CV     1
 OR { 1351}
   (( segid " 1SG" and resid 59   and name HB1 ))
   (( segid " 1SG" and resid 59   and name HG  ))
 ASSI { 1353}
   (  segid " 1SG" and resid 104  and name HD2%)
   (( segid " 1SG" and resid 104  and name HB2 ))
      3.200     1.300     1.300 peak  1353 spectrum    1 weight  0.10000E+01 volume  0.21137E-02 ppm1      0.836 ppm2      1.210 CV     1
 ASSI { 1356}
   (  segid " 1SG" and resid 91   and name HG2%)
   (  segid " 1SG" and resid 39   and name HG1%)
      3.200     1.300     1.300 peak  1356 spectrum    1 weight  0.10000E+01 volume  0.20995E-02 ppm1      0.170 ppm2     -0.067 CV     1
 OR { 1356}
   (  segid " 1SG" and resid 91   and name HG1%)
   (  segid " 1SG" and resid 39   and name HG1%)
 ASSI { 1365}
   (( segid " 1SG" and resid 34   and name HG  ))
   (( segid " 1SG" and resid 35   and name HG1 ))
      2.800     1.000     1.000 peak  1365 spectrum    1 weight  0.10000E+01 volume  0.20859E-02 ppm1      0.938 ppm2      1.372 CV     1
 OR { 1365}
   (( segid " 1SG" and resid 34   and name HG  ))
   (( segid " 1SG" and resid 35   and name HG2 ))
 ASSI { 1367}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 22   and name HB  ))
      2.600     0.900     0.900 peak  1367 spectrum    1 weight  0.10000E+01 volume  0.20815E-02 ppm1      0.558 ppm2      1.537 CV     1
 OR { 1367}
   (  segid " 1SG" and resid 22   and name HD1%)
   (( segid " 1SG" and resid 22   and name HB  ))
 ASSI { 1368}
   (  segid " 1SG" and resid 106  and name HG2%)
   (( segid " 1SG" and resid 81   and name HA  ))
      2.600     0.800     0.800 peak  1368 spectrum    1 weight  0.10000E+01 volume  0.20808E-02 ppm1      0.389 ppm2      4.015 CV     1
 ASSI { 1375}
   (  segid " 1SG" and resid 4    and name HG2%)
   (  segid " 1SG" and resid 6    and name HD1%)
      2.600     0.800     0.800 peak  1375 spectrum    1 weight  0.10000E+01 volume  0.20589E-02 ppm1      0.911 ppm2      0.677 CV     1
 ASSI { 1378}
   (( segid " 1SG" and resid 68   and name HG1 ))
   (( segid " 1SG" and resid 68   and name HA  ))
      2.600     0.900     0.900 peak  1378 spectrum    1 weight  0.10000E+01 volume  0.20573E-02 ppm1      1.279 ppm2      3.604 CV     1
 OR { 1378}
   (( segid " 1SG" and resid 68   and name HG2 ))
   (( segid " 1SG" and resid 68   and name HA  ))
 ASSI { 1382}
   (  segid " 1SG" and resid 49   and name HD2%)
   (  segid " 1SG" and resid 49   and name HD1%)
      2.600     0.800     0.800 peak  1382 spectrum    1 weight  0.10000E+01 volume  0.20511E-02 ppm1      1.033 ppm2      1.768 CV     1
 ASSI { 1390}
   (( segid " 1SG" and resid 45   and name HE2 ))
   (( segid " 1SG" and resid 45   and name HD1 ))
      2.700     0.900     0.900 peak  1390 spectrum    1 weight  0.10000E+01 volume  0.20352E-02 ppm1      2.582 ppm2      1.239 CV     1
 OR { 1390}
   (( segid " 1SG" and resid 45   and name HE2 ))
   (( segid " 1SG" and resid 45   and name HD2 ))
 ASSI { 1393}
   (  segid " 1SG" and resid 6    and name HD1%)
   (  segid " 1SG" and resid 91   and name HG2%)
      2.900     1.100     1.100 peak  1393 spectrum    1 weight  0.10000E+01 volume  0.20268E-02 ppm1      0.673 ppm2      0.183 CV     1
 OR { 1393}
   (  segid " 1SG" and resid 6    and name HD1%)
   (  segid " 1SG" and resid 91   and name HG1%)
 ASSI { 1397}
   (( segid " 1SG" and resid 22   and name HB  ))
   (  segid " 1SG" and resid 22   and name HD1%)
      2.800     0.900     0.900 peak  1397 spectrum    1 weight  0.10000E+01 volume  0.20189E-02 ppm1      1.541 ppm2      0.551 CV     1
 ASSI { 1399}
   (( segid " 1SG" and resid 31   and name HA  ))
   (( segid " 1SG" and resid 68   and name HD1 ))
      2.700     0.900     0.900 peak  1399 spectrum    1 weight  0.10000E+01 volume  0.20149E-02 ppm1      4.175 ppm2      1.683 CV     1
 OR { 1399}
   (( segid " 1SG" and resid 31   and name HA  ))
   (( segid " 1SG" and resid 68   and name HD2 ))
 ASSI { 1400}
   (( segid " 1SG" and resid 91   and name HA  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      2.700     0.900     0.900 peak  1400 spectrum    1 weight  0.10000E+01 volume  0.20128E-02 ppm1      4.748 ppm2      0.161 CV     1
 ASSI { 1402}
   (( segid " 1SG" and resid 68   and name HG2 ))
   (( segid " 1SG" and resid 68   and name HB2 ))
      2.700     0.900     0.900 peak  1402 spectrum    1 weight  0.10000E+01 volume  0.20089E-02 ppm1      1.273 ppm2      1.772 CV     1
 OR { 1402}
   (( segid " 1SG" and resid 68   and name HG1 ))
   (( segid " 1SG" and resid 68   and name HB2 ))
 ASSI { 1406}
   (  segid " 1SG" and resid 53   and name HG1%)
   (( segid " 1SG" and resid 58   and name HA  ))
      2.700     0.900     0.900 peak  1406 spectrum    1 weight  0.10000E+01 volume  0.20007E-02 ppm1      1.121 ppm2      4.624 CV     1
 ASSI { 1408}
   (( segid " 1SG" and resid 28   and name HA  ))
   (  segid " 1SG" and resid 28   and name HG1%)
      2.600     0.900     0.900 peak  1408 spectrum    1 weight  0.10000E+01 volume  0.19961E-02 ppm1      4.915 ppm2      0.817 CV     1
 ASSI { 1412}
   (  segid " 1SG" and resid 74   and name HD1%)
   (( segid " 1SG" and resid 59   and name HG  ))
      2.600     0.900     0.900 peak  1412 spectrum    1 weight  0.10000E+01 volume  0.19884E-02 ppm1      0.409 ppm2      1.447 CV     1
 OR { 1412}
   (  segid " 1SG" and resid 74   and name HD2%)
   (( segid " 1SG" and resid 59   and name HG  ))
 ASSI { 1420}
   (( segid " 1SG" and resid 75   and name HA  ))
   (( segid " 1SG" and resid 75   and name HB1 ))
      2.700     0.900     0.900 peak  1420 spectrum    1 weight  0.10000E+01 volume  0.19688E-02 ppm1      5.087 ppm2      2.897 CV     1
 OR { 1420}
   (( segid " 1SG" and resid 75   and name HA  ))
   (( segid " 1SG" and resid 75   and name HB2 ))
 ASSI { 1421}
   (( segid " 1SG" and resid 45   and name HD2 ))
   (  segid " 1SG" and resid 104  and name HD2%)
      2.800     2.800     3.200 peak  1421 spectrum    1 weight  0.10000E+01 volume  0.19674E-02 ppm1      1.234 ppm2      0.834 CV     1
 OR { 1421}
   (( segid " 1SG" and resid 45   and name HD1 ))
   (  segid " 1SG" and resid 104  and name HD2%)
 ASSI { 1426}
   (( segid " 1SG" and resid 2    and name HA  ))
   (( segid " 1SG" and resid 2    and name HB2 ))
      2.700     0.900     0.900 peak  1426 spectrum    1 weight  0.10000E+01 volume  0.19616E-02 ppm1      4.912 ppm2      2.661 CV     1
 ASSI { 1428}
   (( segid " 1SG" and resid 33   and name HG  ))
   (( segid " 1SG" and resid 37   and name HG2 ))
      3.400     3.400     2.600 peak  1428 spectrum    1 weight  0.10000E+01 volume  0.19606E-02 ppm1      0.929 ppm2      1.379 CV     1
 OR { 1428}
   (( segid " 1SG" and resid 33   and name HG  ))
   (( segid " 1SG" and resid 37   and name HB2 ))
 ASSI { 1433}
   (( segid " 1SG" and resid 105  and name HB  ))
   (( segid " 1SG" and resid 15   and name HA  ))
      2.600     0.900     0.900 peak  1433 spectrum    1 weight  0.10000E+01 volume  0.19565E-02 ppm1      3.901 ppm2      5.501 CV     1
 ASSI { 1435}
   (( segid " 1SG" and resid 12   and name HA  ))
   (( segid " 1SG" and resid 12   and name HG2 ))
      3.000     1.100     1.100 peak  1435 spectrum    1 weight  0.10000E+01 volume  0.19548E-02 ppm1      4.685 ppm2      2.479 CV     1
 OR { 1435}
   (( segid " 1SG" and resid 12   and name HA  ))
   (( segid " 1SG" and resid 12   and name HG1 ))
 ASSI { 1437}
   (( segid " 1SG" and resid 61   and name HA  ))
   (( segid " 1SG" and resid 61   and name HB2 ))
      2.800     1.000     1.000 peak  1437 spectrum    1 weight  0.10000E+01 volume  0.19534E-02 ppm1      5.569 ppm2      2.306 CV     1
 ASSI { 1443}
   (( segid " 1SG" and resid 22   and name HA  ))
   (( segid " 1SG" and resid 104  and name HB2 ))
      3.400     3.400     2.600 peak  1443 spectrum    1 weight  0.10000E+01 volume  0.19418E-02 ppm1      4.357 ppm2      1.253 CV     1
 ASSI { 1453}
   (( segid " 1SG" and resid 4    and name HA  ))
   (  segid " 1SG" and resid 4    and name HD1%)
      3.000     1.100     1.100 peak  1453 spectrum    1 weight  0.10000E+01 volume  0.19281E-02 ppm1      4.030 ppm2      0.969 CV     1
 ASSI { 1456}
   (( segid " 1SG" and resid 9    and name HA  ))
   (( segid " 1SG" and resid 27   and name HD1 ))
      3.100     1.200     1.200 peak  1456 spectrum    1 weight  0.10000E+01 volume  0.19209E-02 ppm1      4.631 ppm2      3.112 CV     1
 OR { 1456}
   (( segid " 1SG" and resid 9    and name HA  ))
   (( segid " 1SG" and resid 27   and name HD2 ))
 ASSI { 1457}
   (( segid " 1SG" and resid 57   and name HG  ))
   (  segid " 1SG" and resid 49   and name HD2%)
      2.700     0.900     0.900 peak  1457 spectrum    1 weight  0.10000E+01 volume  0.19208E-02 ppm1      0.752 ppm2      1.025 CV     1
 ASSI { 1461}
   (( segid " 1SG" and resid 12   and name HB2 ))
   (( segid " 1SG" and resid 12   and name HA  ))
      2.900     1.100     1.100 peak  1461 spectrum    1 weight  0.10000E+01 volume  0.19100E-02 ppm1      1.970 ppm2      4.684 CV     1
 ASSI { 1470}
   (  segid " 1SG" and resid 106  and name HG1%)
   (( segid " 1SG" and resid 104  and name HG  ))
      2.800     1.000     1.000 peak  1470 spectrum    1 weight  0.10000E+01 volume  0.19005E-02 ppm1      0.689 ppm2      1.337 CV     1
 ASSI { 1471}
   (  segid " 1SG" and resid 76   and name HG2%)
   (( segid " 1SG" and resid 76   and name HG12))
      2.600     0.900     0.900 peak  1471 spectrum    1 weight  0.10000E+01 volume  0.18995E-02 ppm1      0.820 ppm2      1.098 CV     1
 ASSI { 1479}
   (( segid " 1SG" and resid 53   and name HA  ))
   (  segid " 1SG" and resid 57   and name HD1%)
      2.700     0.900     0.900 peak  1479 spectrum    1 weight  0.10000E+01 volume  0.18857E-02 ppm1      4.059 ppm2      0.613 CV     1
 OR { 1479}
   (( segid " 1SG" and resid 53   and name HA  ))
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI { 1481}
   (( segid " 1SG" and resid 40   and name HA  ))
   (( segid " 1SG" and resid 40   and name HB2 ))
      2.600     0.900     0.900 peak  1481 spectrum    1 weight  0.10000E+01 volume  0.18851E-02 ppm1      4.549 ppm2      1.359 CV     1
 ASSI { 1486}
   (( segid " 1SG" and resid 14   and name HA1 ))
   (  segid " 1SG" and resid 22   and name HD1%)
      2.600     0.800     0.800 peak  1486 spectrum    1 weight  0.10000E+01 volume  0.18792E-02 ppm1      3.757 ppm2      0.548 CV     1
 ASSI { 1490}
   (  segid " 1SG" and resid 77   and name HG2%)
   (( segid " 1SG" and resid 22   and name HB  ))
      3.100     3.100     2.900 peak  1490 spectrum    1 weight  0.10000E+01 volume  0.18654E-02 ppm1      1.074 ppm2      1.515 CV     1
 ASSI { 1493}
   (( segid " 1SG" and resid 21   and name HA  ))
   (( segid " 1SG" and resid 21   and name HB2 ))
      2.700     0.900     0.900 peak  1493 spectrum    1 weight  0.10000E+01 volume  0.18621E-02 ppm1      5.515 ppm2      3.764 CV     1
 ASSI { 1494}
   (( segid " 1SG" and resid 74   and name HB2 ))
   (  segid " 1SG" and resid 74   and name HD2%)
      2.900     1.000     1.000 peak  1494 spectrum    1 weight  0.10000E+01 volume  0.18617E-02 ppm1     -0.825 ppm2      0.419 CV     1
 OR { 1494}
   (( segid " 1SG" and resid 74   and name HB2 ))
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI { 1497}
   (( segid " 1SG" and resid 71   and name HB2 ))
   (  segid " 1SG" and resid 71   and name HD2%)
      2.800     1.000     1.000 peak  1497 spectrum    1 weight  0.10000E+01 volume  0.18585E-02 ppm1      1.272 ppm2      0.752 CV     1
 ASSI { 1504}
   (( segid " 1SG" and resid 105  and name HB  ))
   (( segid " 1SG" and resid 15   and name HG2 ))
      2.800     1.000     1.000 peak  1504 spectrum    1 weight  0.10000E+01 volume  0.18495E-02 ppm1      3.909 ppm2      2.266 CV     1
 OR { 1504}
   (( segid " 1SG" and resid 105  and name HB  ))
   (( segid " 1SG" and resid 15   and name HG1 ))
 ASSI { 1508}
   (( segid " 1SG" and resid 76   and name HB  ))
   (  segid " 1SG" and resid 76   and name HD1%)
      2.700     0.900     0.900 peak  1508 spectrum    1 weight  0.10000E+01 volume  0.18395E-02 ppm1      1.941 ppm2      0.670 CV     1
 ASSI { 1515}
   (( segid " 1SG" and resid 18   and name HA  ))
   (( segid " 1SG" and resid 18   and name HB  ))
      2.800     1.000     1.000 peak  1515 spectrum    1 weight  0.10000E+01 volume  0.18310E-02 ppm1      3.515 ppm2      1.933 CV     1
 ASSI { 1516}
   (( segid " 1SG" and resid 36   and name HB2 ))
   (( segid " 1SG" and resid 36   and name HG2 ))
      2.600     0.800     0.800 peak  1516 spectrum    1 weight  0.10000E+01 volume  0.18290E-02 ppm1      1.634 ppm2      1.985 CV     1
 ASSI { 1518}
   (( segid " 1SG" and resid 34   and name HA  ))
   (( segid " 1SG" and resid 94   and name HA  ))
      3.200     3.200     2.800 peak  1518 spectrum    1 weight  0.10000E+01 volume  0.18277E-02 ppm1      4.293 ppm2      4.063 CV     1
 ASSI { 1523}
   (( segid " 1SG" and resid 59   and name HG  ))
   (  segid " 1SG" and resid 57   and name HD2%)
      3.300     1.300     1.300 peak  1523 spectrum    1 weight  0.10000E+01 volume  0.18181E-02 ppm1      1.446 ppm2      0.612 CV     1
 OR { 1523}
   (( segid " 1SG" and resid 59   and name HG  ))
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI { 1527}
   (  segid " 1SG" and resid 6    and name HD1%)
   (  segid " 1SG" and resid 28   and name HG1%)
      2.800     1.000     1.000 peak  1527 spectrum    1 weight  0.10000E+01 volume  0.18105E-02 ppm1      0.670 ppm2      0.820 CV     1
 ASSI { 1529}
   (( segid " 1SG" and resid 25   and name HA  ))
   (( segid " 1SG" and resid 73   and name HA  ))
      2.600     0.800     0.800 peak  1529 spectrum    1 weight  0.10000E+01 volume  0.18092E-02 ppm1      5.692 ppm2      5.470 CV     1
 ASSI { 1539}
   (( segid " 1SG" and resid 106  and name HA  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      2.600     0.900     0.900 peak  1539 spectrum    1 weight  0.10000E+01 volume  0.17968E-02 ppm1      4.721 ppm2      0.624 CV     1
 ASSI { 1545}
   (( segid " 1SG" and resid 14   and name HA2 ))
   (  segid " 1SG" and resid 22   and name HD1%)
      3.400     1.400     1.400 peak  1545 spectrum    1 weight  0.10000E+01 volume  0.17780E-02 ppm1      4.934 ppm2      0.546 CV     1
 ASSI { 1547}
   (  segid " 1SG" and resid 18   and name HG2%)
   (( segid " 1SG" and resid 81   and name HD2 ))
      3.200     1.300     1.300 peak  1547 spectrum    1 weight  0.10000E+01 volume  0.17749E-02 ppm1      0.966 ppm2      3.590 CV     1
 ASSI { 1554}
   (  segid " 1SG" and resid 71   and name HD2%)
   (  segid " 1SG" and resid 74   and name HD2%)
      3.100     3.100     2.900 peak  1554 spectrum    1 weight  0.10000E+01 volume  0.17650E-02 ppm1      0.716 ppm2      0.408 CV     1
 OR { 1554}
   (  segid " 1SG" and resid 71   and name HD2%)
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI { 1580}
   (( segid " 1SG" and resid 61   and name HB2 ))
   (( segid " 1SG" and resid 63   and name HB2 ))
      2.800     2.800     3.200 peak  1580 spectrum    1 weight  0.10000E+01 volume  0.17283E-02 ppm1      2.281 ppm2      2.543 CV     1
 ASSI { 1587}
   (  segid " 1SG" and resid 39   and name HG1%)
   (( segid " 1SG" and resid 39   and name HA  ))
      2.700     0.900     0.900 peak  1587 spectrum    1 weight  0.10000E+01 volume  0.17248E-02 ppm1     -0.057 ppm2      4.810 CV     1
 ASSI { 1598}
   (( segid " 1SG" and resid 53   and name HA  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      3.300     1.300     1.300 peak  1598 spectrum    1 weight  0.10000E+01 volume  0.17104E-02 ppm1      4.052 ppm2      1.467 CV     1
 ASSI { 1605}
   (( segid " 1SG" and resid 88   and name HB2 ))
   (( segid " 1SG" and resid 40   and name HD2 ))
      2.900     2.900     3.100 peak  1605 spectrum    1 weight  0.10000E+01 volume  0.17047E-02 ppm1      1.705 ppm2      1.711 CV     1
 OR { 1605}
   (( segid " 1SG" and resid 88   and name HB2 ))
   (( segid " 1SG" and resid 40   and name HD1 ))
 ASSI { 1613}
   (( segid " 1SG" and resid 6    and name HA  ))
   (( segid " 1SG" and resid 6    and name HG  ))
      2.800     1.000     1.000 peak  1613 spectrum    1 weight  0.10000E+01 volume  0.16927E-02 ppm1      4.455 ppm2      1.332 CV     1
 ASSI { 1616}
   (( segid " 1SG" and resid 108  and name HG2 ))
   (( segid " 1SG" and resid 108  and name HA  ))
      2.800     1.000     1.000 peak  1616 spectrum    1 weight  0.10000E+01 volume  0.16877E-02 ppm1      2.201 ppm2      4.149 CV     1
 OR { 1616}
   (( segid " 1SG" and resid 108  and name HG1 ))
   (( segid " 1SG" and resid 108  and name HA  ))
 ASSI { 1617}
   (( segid " 1SG" and resid 74   and name HB2 ))
   (  segid " 1SG" and resid 57   and name HD2%)
      3.500     1.500     1.500 peak  1617 spectrum    1 weight  0.10000E+01 volume  0.16873E-02 ppm1     -0.817 ppm2      0.626 CV     1
 OR { 1617}
   (( segid " 1SG" and resid 74   and name HB2 ))
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI { 1622}
   (( segid " 1SG" and resid 45   and name HG2 ))
   (( segid " 1SG" and resid 45   and name HA  ))
      2.800     1.000     1.000 peak  1622 spectrum    1 weight  0.10000E+01 volume  0.16843E-02 ppm1      0.599 ppm2      3.499 CV     1
 ASSI { 1624}
   (( segid " 1SG" and resid 68   and name HA  ))
   (( segid " 1SG" and resid 68   and name HB2 ))
      2.700     0.900     0.900 peak  1624 spectrum    1 weight  0.10000E+01 volume  0.16824E-02 ppm1      3.604 ppm2      1.772 CV     1
 ASSI { 1631}
   (( segid " 1SG" and resid 16   and name HB  ))
   (  segid " 1SG" and resid 22   and name HD1%)
      3.300     3.300     2.700 peak  1631 spectrum    1 weight  0.10000E+01 volume  0.16686E-02 ppm1      1.820 ppm2      0.552 CV     1
 ASSI { 1634}
   (  segid " 1SG" and resid 59   and name HD1%)
   (( segid " 1SG" and resid 43   and name HB2 ))
      3.300     3.300     2.700 peak  1634 spectrum    1 weight  0.10000E+01 volume  0.16605E-02 ppm1      0.832 ppm2      1.231 CV     1
 ASSI { 1636}
   (( segid " 1SG" and resid 8    and name HB  ))
   (( segid " 1SG" and resid 27   and name HB2 ))
      2.600     0.900     0.900 peak  1636 spectrum    1 weight  0.10000E+01 volume  0.16566E-02 ppm1      1.813 ppm2      1.600 CV     1
 OR { 1636}
   (( segid " 1SG" and resid 8    and name HB  ))
   (( segid " 1SG" and resid 27   and name HB1 ))
 ASSI { 1638}
   (( segid " 1SG" and resid 108  and name HA  ))
   (  segid " 1SG" and resid 18   and name HG1%)
      3.300     1.400     1.400 peak  1638 spectrum    1 weight  0.10000E+01 volume  0.16513E-02 ppm1      4.155 ppm2      1.005 CV     1
 ASSI { 1643}
   (( segid " 1SG" and resid 45   and name HB2 ))
   (( segid " 1SG" and resid 45   and name HA  ))
      2.900     1.100     1.100 peak  1643 spectrum    1 weight  0.10000E+01 volume  0.16469E-02 ppm1      0.604 ppm2      3.498 CV     1
 ASSI { 1653}
   (( segid " 1SG" and resid 4    and name HB  ))
   (( segid " 1SG" and resid 96   and name HB2 ))
      2.700     0.900     0.900 peak  1653 spectrum    1 weight  0.10000E+01 volume  0.16307E-02 ppm1      2.052 ppm2      1.589 CV     1
 ASSI { 1655}
   (  segid " 1SG" and resid 23   and name HG2%)
   (  segid " 1SG" and resid 22   and name HG2%)
      3.200     3.200     2.800 peak  1655 spectrum    1 weight  0.10000E+01 volume  0.16283E-02 ppm1      0.793 ppm2      0.557 CV     1
 ASSI { 1657}
   (( segid " 1SG" and resid 52   and name HD2 ))
   (( segid " 1SG" and resid 48   and name HB2 ))
      2.300     2.300     3.700 peak  1657 spectrum    1 weight  0.10000E+01 volume  0.16223E-02 ppm1      1.575 ppm2      2.922 CV     1
 OR { 1657}
   (( segid " 1SG" and resid 52   and name HD1 ))
   (( segid " 1SG" and resid 48   and name HB2 ))
 ASSI { 1660}
   (( segid " 1SG" and resid 76   and name HG12))
   (  segid " 1SG" and resid 57   and name HD2%)
      2.600     0.900     0.900 peak  1660 spectrum    1 weight  0.10000E+01 volume  0.16205E-02 ppm1      1.094 ppm2      0.621 CV     1
 OR { 1660}
   (( segid " 1SG" and resid 76   and name HG12))
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI { 1671}
   (( segid " 1SG" and resid 60   and name HB2 ))
   (( segid " 1SG" and resid 60   and name HA  ))
      3.000     1.100     1.100 peak  1671 spectrum    1 weight  0.10000E+01 volume  0.16072E-02 ppm1      2.975 ppm2      5.071 CV     1
 ASSI { 1672}
   (( segid " 1SG" and resid 43   and name HD2 ))
   (  segid " 1SG" and resid 49   and name HD1%)
      3.200     1.300     1.300 peak  1672 spectrum    1 weight  0.10000E+01 volume  0.16063E-02 ppm1      1.322 ppm2      1.761 CV     1
 OR { 1672}
   (( segid " 1SG" and resid 43   and name HD1 ))
   (  segid " 1SG" and resid 49   and name HD1%)
 ASSI { 1674}
   (( segid " 1SG" and resid 52   and name HB2 ))
   (( segid " 1SG" and resid 52   and name HG1 ))
      2.800     1.000     1.000 peak  1674 spectrum    1 weight  0.10000E+01 volume  0.16046E-02 ppm1      1.737 ppm2      1.330 CV     1
 OR { 1674}
   (( segid " 1SG" and resid 52   and name HB2 ))
   (( segid " 1SG" and resid 52   and name HG2 ))
 ASSI { 1676}
   (( segid " 1SG" and resid 36   and name HA  ))
   (( segid " 1SG" and resid 37   and name HD2 ))
      2.700     0.900     0.900 peak  1676 spectrum    1 weight  0.10000E+01 volume  0.16022E-02 ppm1      4.005 ppm2      2.360 CV     1
 ASSI { 1689}
   (( segid " 1SG" and resid 16   and name HA  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      3.200     1.300     1.300 peak  1689 spectrum    1 weight  0.10000E+01 volume  0.15871E-02 ppm1      4.604 ppm2      0.629 CV     1
 ASSI { 1694}
   (( segid " 1SG" and resid 57   and name HB2 ))
   (  segid " 1SG" and resid 57   and name HD2%)
      2.900     1.000     1.000 peak  1694 spectrum    1 weight  0.10000E+01 volume  0.15784E-02 ppm1      1.477 ppm2      0.615 CV     1
 OR { 1694}
   (( segid " 1SG" and resid 57   and name HB2 ))
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI { 1700}
   (( segid " 1SG" and resid 35   and name HG1 ))
   (( segid " 1SG" and resid 35   and name HA  ))
      3.200     1.300     1.300 peak  1700 spectrum    1 weight  0.10000E+01 volume  0.15731E-02 ppm1      1.361 ppm2      4.667 CV     1
 OR { 1700}
   (( segid " 1SG" and resid 35   and name HG2 ))
   (( segid " 1SG" and resid 35   and name HA  ))
 ASSI { 1703}
   (( segid " 1SG" and resid 25   and name HB2 ))
   (( segid " 1SG" and resid 25   and name HA  ))
      3.000     1.100     1.100 peak  1703 spectrum    1 weight  0.10000E+01 volume  0.15724E-02 ppm1      3.602 ppm2      5.692 CV     1
 ASSI { 1707}
   (( segid " 1SG" and resid 105  and name HA  ))
   (( segid " 1SG" and resid 84   and name HA  ))
      2.900     1.100     1.100 peak  1707 spectrum    1 weight  0.10000E+01 volume  0.15696E-02 ppm1      4.518 ppm2      4.230 CV     1
 OR { 1707}
   (( segid " 1SG" and resid 105  and name HA  ))
   (( segid " 1SG" and resid 84   and name HB  ))
 ASSI { 1720}
   (( segid " 1SG" and resid 36   and name HA  ))
   (( segid " 1SG" and resid 36   and name HB2 ))
      3.100     1.200     1.200 peak  1720 spectrum    1 weight  0.10000E+01 volume  0.15576E-02 ppm1      4.007 ppm2      1.642 CV     1
 ASSI { 1726}
   (( segid " 1SG" and resid 88   and name HA  ))
   (( segid " 1SG" and resid 100  and name HB2 ))
      3.200     3.200     2.800 peak  1726 spectrum    1 weight  0.10000E+01 volume  0.15501E-02 ppm1      5.349 ppm2      2.953 CV     1
 ASSI { 1727}
   (  segid " 1SG" and resid 104  and name HD1%)
   (  segid " 1SG" and resid 24   and name HE% )
      3.000     1.100     1.100 peak  1727 spectrum    1 weight  0.10000E+01 volume  0.15482E-02 ppm1      0.987 ppm2      7.171 CV     1
 ASSI { 1730}
   (  segid " 1SG" and resid 49   and name HD2%)
   (( segid " 1SG" and resid 59   and name HB2 ))
      2.700     0.900     0.900 peak  1730 spectrum    1 weight  0.10000E+01 volume  0.15476E-02 ppm1      1.042 ppm2      1.718 CV     1
 OR { 1730}
   (  segid " 1SG" and resid 49   and name HD2%)
   (( segid " 1SG" and resid 59   and name HB1 ))
 ASSI { 1748}
   (( segid " 1SG" and resid 23   and name HB  ))
   (( segid " 1SG" and resid 23   and name HA  ))
      2.900     1.000     1.000 peak  1748 spectrum    1 weight  0.10000E+01 volume  0.15242E-02 ppm1      3.583 ppm2      5.116 CV     1
 ASSI { 1752}
   (  segid " 1SG" and resid 74   and name HD1%)
   (  segid " 1SG" and resid 59   and name HD1%)
      2.400     0.700     0.700 peak  1752 spectrum    1 weight  0.10000E+01 volume  0.15158E-02 ppm1      0.412 ppm2      0.852 CV     1
 OR { 1752}
   (  segid " 1SG" and resid 74   and name HD2%)
   (  segid " 1SG" and resid 59   and name HD1%)
 ASSI { 1760}
   (( segid " 1SG" and resid 49   and name HB2 ))
   (( segid " 1SG" and resid 52   and name HB2 ))
      3.200     3.200     2.800 peak  1760 spectrum    1 weight  0.10000E+01 volume  0.15045E-02 ppm1      1.571 ppm2      1.728 CV     1
 ASSI { 1764}
   (  segid " 1SG" and resid 76   and name HG2%)
   (( segid " 1SG" and resid 79   and name HA  ))
      2.900     1.000     1.000 peak  1764 spectrum    1 weight  0.10000E+01 volume  0.14996E-02 ppm1      0.825 ppm2      3.685 CV     1
 ASSI { 1771}
   (( segid " 1SG" and resid 36   and name HD2 ))
   (( segid " 1SG" and resid 36   and name HG2 ))
      2.600     0.900     0.900 peak  1771 spectrum    1 weight  0.10000E+01 volume  0.14948E-02 ppm1      3.510 ppm2      1.963 CV     1
 ASSI { 1789}
   (( segid " 1SG" and resid 9    and name HB2 ))
   (( segid " 1SG" and resid 9    and name HA  ))
      2.800     1.000     1.000 peak  1789 spectrum    1 weight  0.10000E+01 volume  0.14842E-02 ppm1      1.915 ppm2      4.655 CV     1
 ASSI { 1791}
   (( segid " 1SG" and resid 8    and name HB  ))
   (( segid " 1SG" and resid 8    and name HA  ))
      2.900     1.100     1.100 peak  1791 spectrum    1 weight  0.10000E+01 volume  0.14820E-02 ppm1      1.840 ppm2      4.168 CV     1
 ASSI { 1800}
   (  segid " 1SG" and resid 18   and name HG2%)
   (( segid " 1SG" and resid 80   and name HE21))
      3.200     3.200     2.800 peak  1800 spectrum    1 weight  0.10000E+01 volume  0.14730E-02 ppm1      0.979 ppm2      6.971 CV     1
 ASSI { 1802}
   (( segid " 1SG" and resid 72   and name HB2 ))
   (( segid " 1SG" and resid 72   and name HA  ))
      2.800     1.000     1.000 peak  1802 spectrum    1 weight  0.10000E+01 volume  0.14695E-02 ppm1      2.934 ppm2      5.351 CV     1
 ASSI { 1807}
   (( segid " 1SG" and resid 92   and name HB1 ))
   (  segid " 1SG" and resid 93   and name HG2%)
      3.300     3.300     2.700 peak  1807 spectrum    1 weight  0.10000E+01 volume  0.14648E-02 ppm1      3.877 ppm2      1.043 CV     1
 OR { 1807}
   (( segid " 1SG" and resid 92   and name HB2 ))
   (  segid " 1SG" and resid 93   and name HG2%)
 ASSI { 1808}
   (( segid " 1SG" and resid 6    and name HG  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      2.700     0.900     0.900 peak  1808 spectrum    1 weight  0.10000E+01 volume  0.14633E-02 ppm1      1.340 ppm2      0.494 CV     1
 ASSI { 1809}
   (( segid " 1SG" and resid 24   and name HA  ))
   (( segid " 1SG" and resid 24   and name HB2 ))
      3.100     1.200     1.200 peak  1809 spectrum    1 weight  0.10000E+01 volume  0.14633E-02 ppm1      4.619 ppm2      2.415 CV     1
 ASSI { 1812}
   (( segid " 1SG" and resid 103  and name HB2 ))
   (( segid " 1SG" and resid 103  and name HA  ))
      3.000     1.100     1.100 peak  1812 spectrum    1 weight  0.10000E+01 volume  0.14591E-02 ppm1      2.506 ppm2      5.551 CV     1
 ASSI { 1815}
   (( segid " 1SG" and resid 105  and name HA  ))
   (( segid " 1SG" and resid 105  and name HB  ))
      2.900     1.000     1.000 peak  1815 spectrum    1 weight  0.10000E+01 volume  0.14575E-02 ppm1      4.515 ppm2      3.913 CV     1
 ASSI { 1823}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 104  and name HB2 ))
      3.000     1.200     1.200 peak  1823 spectrum    1 weight  0.10000E+01 volume  0.14516E-02 ppm1      0.619 ppm2      1.254 CV     1
 ASSI { 1826}
   (  segid " 1SG" and resid 91   and name HG2%)
   (  segid " 1SG" and resid 93   and name HG2%)
      3.300     1.300     1.300 peak  1826 spectrum    1 weight  0.10000E+01 volume  0.14475E-02 ppm1      0.186 ppm2      1.045 CV     1
 OR { 1826}
   (  segid " 1SG" and resid 91   and name HG1%)
   (  segid " 1SG" and resid 93   and name HG2%)
 ASSI { 1830}
   (( segid " 1SG" and resid 29   and name HA  ))
   (  segid " 1SG" and resid 8    and name HG2%)
      2.900     1.100     1.100 peak  1830 spectrum    1 weight  0.10000E+01 volume  0.14428E-02 ppm1      4.395 ppm2      0.954 CV     1
 ASSI { 1831}
   (  segid " 1SG" and resid 49   and name HD2%)
   (( segid " 1SG" and resid 49   and name HB2 ))
      3.000     1.200     1.200 peak  1831 spectrum    1 weight  0.10000E+01 volume  0.14424E-02 ppm1      1.030 ppm2      1.580 CV     1
 ASSI { 1841}
   (( segid " 1SG" and resid 52   and name HB2 ))
   (( segid " 1SG" and resid 52   and name HA  ))
      2.900     1.000     1.000 peak  1841 spectrum    1 weight  0.10000E+01 volume  0.14313E-02 ppm1      1.738 ppm2      4.629 CV     1
 ASSI { 1843}
   (( segid " 1SG" and resid 58   and name HA  ))
   (( segid " 1SG" and resid 58   and name HG2 ))
      3.300     1.300     1.300 peak  1843 spectrum    1 weight  0.10000E+01 volume  0.14305E-02 ppm1      4.621 ppm2      1.817 CV     1
 ASSI { 1852}
   (( segid " 1SG" and resid 69   and name HA  ))
   (( segid " 1SG" and resid 29   and name HA  ))
      2.800     1.000     1.000 peak  1852 spectrum    1 weight  0.10000E+01 volume  0.14156E-02 ppm1      4.592 ppm2      4.392 CV     1
 ASSI { 1853}
   (( segid " 1SG" and resid 57   and name HG  ))
   (( segid " 1SG" and resid 49   and name HB2 ))
      3.300     1.300     1.300 peak  1853 spectrum    1 weight  0.10000E+01 volume  0.14151E-02 ppm1      0.753 ppm2      1.558 CV     1
 ASSI { 1858}
   (( segid " 1SG" and resid 96   and name HB2 ))
   (( segid " 1SG" and resid 4    and name HG12))
      2.800     1.000     1.000 peak  1858 spectrum    1 weight  0.10000E+01 volume  0.14092E-02 ppm1      1.612 ppm2      1.245 CV     1
 ASSI { 1870}
   (( segid " 1SG" and resid 15   and name HA  ))
   (( segid " 1SG" and resid 15   and name HG2 ))
      2.900     1.100     1.100 peak  1870 spectrum    1 weight  0.10000E+01 volume  0.13960E-02 ppm1      5.504 ppm2      2.280 CV     1
 OR { 1870}
   (( segid " 1SG" and resid 15   and name HA  ))
   (( segid " 1SG" and resid 15   and name HG1 ))
 ASSI { 1875}
   (( segid " 1SG" and resid 22   and name HB  ))
   (( segid " 1SG" and resid 104  and name HB2 ))
      3.200     1.300     1.300 peak  1875 spectrum    1 weight  0.10000E+01 volume  0.13935E-02 ppm1      1.541 ppm2      1.250 CV     1
 ASSI { 1880}
   (( segid " 1SG" and resid 56   and name HA  ))
   (( segid " 1SG" and resid 56   and name HB2 ))
      2.900     1.100     1.100 peak  1880 spectrum    1 weight  0.10000E+01 volume  0.13897E-02 ppm1      4.971 ppm2      3.108 CV     1
 ASSI { 1884}
   (( segid " 1SG" and resid 52   and name HG2 ))
   (( segid " 1SG" and resid 53   and name HB  ))
      3.500     3.500     2.500 peak  1884 spectrum    1 weight  0.10000E+01 volume  0.13882E-02 ppm1      1.340 ppm2      2.157 CV     1
 OR { 1884}
   (( segid " 1SG" and resid 52   and name HG1 ))
   (( segid " 1SG" and resid 53   and name HB  ))
 ASSI { 1886}
   (( segid " 1SG" and resid 18   and name HA  ))
   (  segid " 1SG" and resid 79   and name HB% )
      3.000     1.100     1.100 peak  1886 spectrum    1 weight  0.10000E+01 volume  0.13876E-02 ppm1      3.516 ppm2      1.196 CV     1
 ASSI { 1887}
   (( segid " 1SG" and resid 4    and name HB  ))
   (( segid " 1SG" and resid 4    and name HA  ))
      2.900     1.000     1.000 peak  1887 spectrum    1 weight  0.10000E+01 volume  0.13875E-02 ppm1      2.054 ppm2      4.033 CV     1
 ASSI { 1888}
   (( segid " 1SG" and resid 37   and name HB2 ))
   (( segid " 1SG" and resid 37   and name HA  ))
      3.000     1.100     1.100 peak  1888 spectrum    1 weight  0.10000E+01 volume  0.13868E-02 ppm1      1.383 ppm2      4.501 CV     1
 ASSI { 1889}
   (( segid " 1SG" and resid 91   and name HA  ))
   (( segid " 1SG" and resid 91   and name HB  ))
      2.700     0.900     0.900 peak  1889 spectrum    1 weight  0.10000E+01 volume  0.13865E-02 ppm1      4.743 ppm2      1.134 CV     1
 ASSI { 1894}
   (  segid " 1SG" and resid 8    and name HG2%)
   (( segid " 1SG" and resid 28   and name HA  ))
      3.000     1.200     1.200 peak  1894 spectrum    1 weight  0.10000E+01 volume  0.13827E-02 ppm1      0.958 ppm2      4.912 CV     1
 OR { 1894}
   (  segid " 1SG" and resid 8    and name HG1%)
   (( segid " 1SG" and resid 28   and name HA  ))
 ASSI { 1895}
   (( segid " 1SG" and resid 6    and name HG  ))
   (  segid " 1SG" and resid 6    and name HD1%)
      2.800     1.000     1.000 peak  1895 spectrum    1 weight  0.10000E+01 volume  0.13820E-02 ppm1      1.341 ppm2      0.677 CV     1
 ASSI { 1898}
   (( segid " 1SG" and resid 49   and name HA  ))
   (( segid " 1SG" and resid 52   and name HB2 ))
      2.800     1.000     1.000 peak  1898 spectrum    1 weight  0.10000E+01 volume  0.13815E-02 ppm1      3.862 ppm2      1.730 CV     1
 ASSI { 1902}
   (( segid " 1SG" and resid 27   and name HA  ))
   (( segid " 1SG" and resid 71   and name HA  ))
      2.500     0.800     0.800 peak  1902 spectrum    1 weight  0.10000E+01 volume  0.13767E-02 ppm1      5.835 ppm2      5.076 CV     1
 ASSI { 1905}
   (  segid " 1SG" and resid 104  and name HD1%)
   (( segid " 1SG" and resid 14   and name HA1 ))
      2.900     1.100     1.100 peak  1905 spectrum    1 weight  0.10000E+01 volume  0.13722E-02 ppm1      0.975 ppm2      3.753 CV     1
 ASSI { 1907}
   (( segid " 1SG" and resid 4    and name HB  ))
   (( segid " 1SG" and resid 4    and name HG12))
      2.700     0.900     0.900 peak  1907 spectrum    1 weight  0.10000E+01 volume  0.13668E-02 ppm1      2.046 ppm2      1.247 CV     1
 ASSI { 1908}
   (( segid " 1SG" and resid 45   and name HG2 ))
   (( segid " 1SG" and resid 45   and name HD2 ))
      2.900     1.000     1.000 peak  1908 spectrum    1 weight  0.10000E+01 volume  0.13665E-02 ppm1      0.596 ppm2      1.238 CV     1
 OR { 1908}
   (( segid " 1SG" and resid 45   and name HG2 ))
   (( segid " 1SG" and resid 45   and name HD1 ))
 ASSI { 1924}
   (( segid " 1SG" and resid 43   and name HB2 ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      3.100     3.100     2.900 peak  1924 spectrum    1 weight  0.10000E+01 volume  0.13453E-02 ppm1      1.237 ppm2      1.469 CV     1
 ASSI { 1936}
   (  segid " 1SG" and resid 39   and name HG2%)
   (  segid " 1SG" and resid 28   and name HG2%)
      2.800     1.000     1.000 peak  1936 spectrum    1 weight  0.10000E+01 volume  0.13395E-02 ppm1     -0.444 ppm2      0.644 CV     1
 ASSI { 1941}
   (  segid " 1SG" and resid 26   and name HB% )
   (  segid " 1SG" and resid 28   and name HG2%)
      2.900     1.100     1.100 peak  1941 spectrum    1 weight  0.10000E+01 volume  0.13332E-02 ppm1      1.468 ppm2      0.658 CV     1
 ASSI { 1950}
   (( segid " 1SG" and resid 24   and name HA  ))
   (( segid " 1SG" and resid 12   and name HG2 ))
      2.400     2.400     3.600 peak  1950 spectrum    1 weight  0.10000E+01 volume  0.13273E-02 ppm1      4.620 ppm2      2.453 CV     1
 OR { 1950}
   (( segid " 1SG" and resid 24   and name HA  ))
   (( segid " 1SG" and resid 12   and name HG1 ))
 ASSI { 1953}
   (  segid " 1SG" and resid 8    and name HG1%)
   (( segid " 1SG" and resid 27   and name HD2 ))
      3.100     1.200     1.200 peak  1953 spectrum    1 weight  0.10000E+01 volume  0.13257E-02 ppm1      0.980 ppm2      3.114 CV     1
 OR { 1953}
   (  segid " 1SG" and resid 8    and name HG1%)
   (( segid " 1SG" and resid 27   and name HD1 ))
 OR { 1953}
   (  segid " 1SG" and resid 8    and name HG2%)
   (( segid " 1SG" and resid 27   and name HD2 ))
 OR { 1953}
   (  segid " 1SG" and resid 8    and name HG2%)
   (( segid " 1SG" and resid 27   and name HD1 ))
 ASSI { 1956}
   (( segid " 1SG" and resid 83   and name HA  ))
   (( segid " 1SG" and resid 83   and name HB2 ))
      2.900     1.100     1.100 peak  1956 spectrum    1 weight  0.10000E+01 volume  0.13242E-02 ppm1      4.609 ppm2      3.190 CV     1
 ASSI { 1958}
   (( segid " 1SG" and resid 40   and name HA  ))
   (( segid " 1SG" and resid 40   and name HG2 ))
      3.400     1.400     1.400 peak  1958 spectrum    1 weight  0.10000E+01 volume  0.13203E-02 ppm1      4.545 ppm2      1.245 CV     1
 OR { 1958}
   (( segid " 1SG" and resid 40   and name HA  ))
   (( segid " 1SG" and resid 40   and name HG1 ))
 ASSI { 1965}
   (( segid " 1SG" and resid 83   and name HA  ))
   (( segid " 1SG" and resid 44   and name HA2 ))
      3.200     3.200     2.800 peak  1965 spectrum    1 weight  0.10000E+01 volume  0.13165E-02 ppm1      4.568 ppm2      3.808 CV     1
 ASSI { 1969}
   (( segid " 1SG" and resid 12   and name HB2 ))
   (  segid " 1SG" and resid 22   and name HD1%)
      2.900     2.900     3.100 peak  1969 spectrum    1 weight  0.10000E+01 volume  0.13122E-02 ppm1      1.944 ppm2      0.544 CV     1
 ASSI { 1970}
   (  segid " 1SG" and resid 91   and name HG2%)
   (( segid " 1SG" and resid 38   and name HA  ))
      3.300     1.300     1.300 peak  1970 spectrum    1 weight  0.10000E+01 volume  0.13106E-02 ppm1      0.115 ppm2      3.907 CV     1
 ASSI { 1977}
   (  segid " 1SG" and resid 38   and name HG2%)
   (( segid " 1SG" and resid 35   and name HD2 ))
      3.000     1.100     1.100 peak  1977 spectrum    1 weight  0.10000E+01 volume  0.13059E-02 ppm1      0.817 ppm2      1.643 CV     1
 OR { 1977}
   (  segid " 1SG" and resid 38   and name HG2%)
   (( segid " 1SG" and resid 35   and name HD1 ))
 OR { 1977}
   (  segid " 1SG" and resid 38   and name HG1%)
   (( segid " 1SG" and resid 35   and name HD2 ))
 OR { 1977}
   (  segid " 1SG" and resid 38   and name HG1%)
   (( segid " 1SG" and resid 35   and name HD1 ))
 ASSI { 1987}
   (( segid " 1SG" and resid 36   and name HD2 ))
   (( segid " 1SG" and resid 35   and name HB1 ))
      2.800     1.000     1.000 peak  1987 spectrum    1 weight  0.10000E+01 volume  0.12940E-02 ppm1      3.509 ppm2      1.780 CV     1
 OR { 1987}
   (( segid " 1SG" and resid 36   and name HD2 ))
   (( segid " 1SG" and resid 35   and name HB2 ))
 ASSI { 1991}
   (  segid " 1SG" and resid 18   and name HG1%)
   (( segid " 1SG" and resid 81   and name HD2 ))
      3.600     1.600     1.600 peak  1991 spectrum    1 weight  0.10000E+01 volume  0.12900E-02 ppm1      1.013 ppm2      3.582 CV     1
 ASSI { 1993}
   (( segid " 1SG" and resid 71   and name HA  ))
   (( segid " 1SG" and resid 71   and name HB2 ))
      2.600     0.800     0.800 peak  1993 spectrum    1 weight  0.10000E+01 volume  0.12882E-02 ppm1      5.070 ppm2      1.269 CV     1
 ASSI { 1994}
   (( segid " 1SG" and resid 103  and name HA  ))
   (( segid " 1SG" and resid 86   and name HA2 ))
      2.700     0.900     0.900 peak  1994 spectrum    1 weight  0.10000E+01 volume  0.12878E-02 ppm1      5.554 ppm2      4.675 CV     1
 ASSI { 1996}
   (( segid " 1SG" and resid 81   and name HD2 ))
   (( segid " 1SG" and resid 80   and name HG2 ))
      2.800     1.000     1.000 peak  1996 spectrum    1 weight  0.10000E+01 volume  0.12867E-02 ppm1      3.576 ppm2      2.181 CV     1
 OR { 1996}
   (( segid " 1SG" and resid 81   and name HD2 ))
   (( segid " 1SG" and resid 80   and name HG1 ))
 ASSI { 2003}
   (( segid " 1SG" and resid 57   and name HG  ))
   (  segid " 1SG" and resid 49   and name HD1%)
      3.100     1.200     1.200 peak  2003 spectrum    1 weight  0.10000E+01 volume  0.12778E-02 ppm1      0.757 ppm2      1.744 CV     1
 ASSI { 2006}
   (( segid " 1SG" and resid 22   and name HA  ))
   (  segid " 1SG" and resid 22   and name HD1%)
      2.900     1.100     1.100 peak  2006 spectrum    1 weight  0.10000E+01 volume  0.12763E-02 ppm1      4.352 ppm2      0.547 CV     1
 ASSI { 2016}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 22   and name HA  ))
      3.200     1.300     1.300 peak  2016 spectrum    1 weight  0.10000E+01 volume  0.12704E-02 ppm1      0.604 ppm2      4.356 CV     1
 ASSI { 2017}
   (( segid " 1SG" and resid 90   and name HA  ))
   (( segid " 1SG" and resid 99   and name HA  ))
      2.800     1.000     1.000 peak  2017 spectrum    1 weight  0.10000E+01 volume  0.12700E-02 ppm1      4.768 ppm2      5.709 CV     1
 ASSI { 2018}
   (( segid " 1SG" and resid 68   and name HE2 ))
   (( segid " 1SG" and resid 37   and name HG2 ))
      2.800     2.800     3.200 peak  2018 spectrum    1 weight  0.10000E+01 volume  0.12689E-02 ppm1      3.019 ppm2      1.361 CV     1
 OR { 2018}
   (( segid " 1SG" and resid 68   and name HE1 ))
   (( segid " 1SG" and resid 37   and name HG2 ))
 ASSI { 2024}
   (  segid " 1SG" and resid 49   and name HD2%)
   (  segid " 1SG" and resid 87   and name HD% )
      2.900     1.100     1.100 peak  2024 spectrum    1 weight  0.10000E+01 volume  0.12628E-02 ppm1      1.029 ppm2      6.809 CV     1
 ASSI { 2025}
   (( segid " 1SG" and resid 4    and name HA  ))
   (( segid " 1SG" and resid 4    and name HG12))
      3.700     1.700     1.700 peak  2025 spectrum    1 weight  0.10000E+01 volume  0.12622E-02 ppm1      4.024 ppm2      1.245 CV     1
 ASSI { 2029}
   (( segid " 1SG" and resid 56   and name HA  ))
   (  segid " 1SG" and resid 77   and name HG2%)
      3.200     1.200     1.200 peak  2029 spectrum    1 weight  0.10000E+01 volume  0.12613E-02 ppm1      4.981 ppm2      1.049 CV     1
 ASSI { 2030}
   (  segid " 1SG" and resid 104  and name HD1%)
   (( segid " 1SG" and resid 15   and name HA  ))
      3.000     1.100     1.100 peak  2030 spectrum    1 weight  0.10000E+01 volume  0.12611E-02 ppm1      0.983 ppm2      5.499 CV     1
 ASSI { 2045}
   (( segid " 1SG" and resid 108  and name HG2 ))
   (  segid " 1SG" and resid 18   and name HG2%)
      3.100     1.200     1.200 peak  2045 spectrum    1 weight  0.10000E+01 volume  0.12487E-02 ppm1      2.191 ppm2      0.964 CV     1
 OR { 2045}
   (( segid " 1SG" and resid 108  and name HG1 ))
   (  segid " 1SG" and resid 18   and name HG2%)
 OR { 2045}
   (( segid " 1SG" and resid 108  and name HG1 ))
   (  segid " 1SG" and resid 18   and name HG1%)
 ASSI { 2047}
   (( segid " 1SG" and resid 40   and name HB2 ))
   (( segid " 1SG" and resid 40   and name HD1 ))
      2.800     1.000     1.000 peak  2047 spectrum    1 weight  0.10000E+01 volume  0.12472E-02 ppm1      1.370 ppm2      1.689 CV     1
 OR { 2047}
   (( segid " 1SG" and resid 40   and name HB2 ))
   (( segid " 1SG" and resid 40   and name HD2 ))
 ASSI { 2053}
   (( segid " 1SG" and resid 27   and name HD2 ))
   (  segid " 1SG" and resid 8    and name HG1%)
      3.100     1.200     1.200 peak  2053 spectrum    1 weight  0.10000E+01 volume  0.12431E-02 ppm1      3.129 ppm2      0.966 CV     1
 OR { 2053}
   (( segid " 1SG" and resid 27   and name HD1 ))
   (  segid " 1SG" and resid 8    and name HG1%)
 OR { 2053}
   (( segid " 1SG" and resid 27   and name HD1 ))
   (  segid " 1SG" and resid 8    and name HG2%)
 ASSI { 2066}
   (( segid " 1SG" and resid 10   and name HB2 ))
   (  segid " 1SG" and resid 26   and name HB% )
      3.500     3.500     2.500 peak  2066 spectrum    1 weight  0.10000E+01 volume  0.12298E-02 ppm1      1.238 ppm2      1.481 CV     1
 ASSI { 2073}
   (  segid " 1SG" and resid 76   and name HD1%)
   (  segid " 1SG" and resid 24   and name HE% )
      2.900     1.000     1.000 peak  2073 spectrum    1 weight  0.10000E+01 volume  0.12237E-02 ppm1      0.676 ppm2      7.166 CV     1
 ASSI { 2078}
   (  segid " 1SG" and resid 69   and name HG1%)
   (( segid " 1SG" and resid 27   and name HA  ))
      3.200     1.300     1.300 peak  2078 spectrum    1 weight  0.10000E+01 volume  0.12200E-02 ppm1      0.856 ppm2      5.839 CV     1
 ASSI { 2079}
   (  segid " 1SG" and resid 77   and name HG2%)
   (( segid " 1SG" and resid 21   and name HB2 ))
      3.100     1.200     1.200 peak  2079 spectrum    1 weight  0.10000E+01 volume  0.12192E-02 ppm1      1.049 ppm2      3.757 CV     1
 ASSI { 2082}
   (( segid " 1SG" and resid 21   and name HA  ))
   (( segid " 1SG" and resid 20   and name HN  ))
      3.100     3.100     2.900 peak  2082 spectrum    1 weight  0.10000E+01 volume  0.12179E-02 ppm1      5.517 ppm2      8.843 CV     1
 ASSI { 2087}
   (( segid " 1SG" and resid 58   and name HG2 ))
   (( segid " 1SG" and resid 75   and name HB2 ))
      3.000     1.200     1.200 peak  2087 spectrum    1 weight  0.10000E+01 volume  0.12124E-02 ppm1      1.816 ppm2      2.887 CV     1
 OR { 2087}
   (( segid " 1SG" and resid 58   and name HG2 ))
   (( segid " 1SG" and resid 75   and name HB1 ))
 ASSI { 2091}
   (( segid " 1SG" and resid 38   and name HA  ))
   (( segid " 1SG" and resid 38   and name HB  ))
      2.900     1.100     1.100 peak  2091 spectrum    1 weight  0.10000E+01 volume  0.12105E-02 ppm1      3.896 ppm2      1.900 CV     1
 ASSI { 2110}
   (( segid " 1SG" and resid 37   and name HD2 ))
   (( segid " 1SG" and resid 37   and name HG2 ))
      2.700     0.900     0.900 peak  2110 spectrum    1 weight  0.10000E+01 volume  0.11985E-02 ppm1      2.368 ppm2      1.373 CV     1
 OR { 2110}
   (( segid " 1SG" and resid 37   and name HD2 ))
   (( segid " 1SG" and resid 37   and name HB2 ))
 ASSI { 2121}
   (( segid " 1SG" and resid 76   and name HA  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      3.100     1.200     1.200 peak  2121 spectrum    1 weight  0.10000E+01 volume  0.11918E-02 ppm1      5.017 ppm2      1.434 CV     1
 ASSI { 2125}
   (( segid " 1SG" and resid 73   and name HB2 ))
   (  segid " 1SG" and resid 23   and name HG2%)
      3.100     1.200     1.200 peak  2125 spectrum    1 weight  0.10000E+01 volume  0.11888E-02 ppm1      1.540 ppm2      0.786 CV     1
 ASSI { 2138}
   (( segid " 1SG" and resid 49   and name HA  ))
   (( segid " 1SG" and resid 49   and name HB2 ))
      3.100     1.200     1.200 peak  2138 spectrum    1 weight  0.10000E+01 volume  0.11788E-02 ppm1      3.867 ppm2      1.568 CV     1
 ASSI { 2158}
   (( segid " 1SG" and resid 22   and name HA  ))
   (( segid " 1SG" and resid 22   and name HG12))
      3.300     1.300     1.300 peak  2158 spectrum    1 weight  0.10000E+01 volume  0.11710E-02 ppm1      4.352 ppm2      0.101 CV     1
 ASSI { 2171}
   (( segid " 1SG" and resid 83   and name HA  ))
   (  segid " 1SG" and resid 83   and name HD% )
      2.900     1.000     1.000 peak  2171 spectrum    1 weight  0.10000E+01 volume  0.11632E-02 ppm1      4.623 ppm2      7.128 CV     1
 ASSI { 2173}
   (( segid " 1SG" and resid 48   and name HA  ))
   (( segid " 1SG" and resid 42   and name HA  ))
      3.000     1.100     1.100 peak  2173 spectrum    1 weight  0.10000E+01 volume  0.11606E-02 ppm1      4.223 ppm2      5.804 CV     1
 ASSI { 2179}
   (( segid " 1SG" and resid 102  and name HB2 ))
   (( segid " 1SG" and resid 100  and name HB2 ))
      3.400     3.400     2.600 peak  2179 spectrum    1 weight  0.10000E+01 volume  0.11581E-02 ppm1      2.746 ppm2      2.972 CV     1
 ASSI { 2183}
   (( segid " 1SG" and resid 77   and name HA  ))
   (( segid " 1SG" and resid 21   and name HB2 ))
      3.500     1.500     1.500 peak  2183 spectrum    1 weight  0.10000E+01 volume  0.11555E-02 ppm1      4.660 ppm2      3.760 CV     1
 ASSI { 2186}
   (( segid " 1SG" and resid 80   and name HG2 ))
   (( segid " 1SG" and resid 106  and name HB  ))
      3.300     3.300     2.700 peak  2186 spectrum    1 weight  0.10000E+01 volume  0.11541E-02 ppm1      2.159 ppm2      1.868 CV     1
 OR { 2186}
   (( segid " 1SG" and resid 80   and name HG1 ))
   (( segid " 1SG" and resid 106  and name HB  ))
 ASSI { 2188}
   (( segid " 1SG" and resid 37   and name HD2 ))
   (  segid " 1SG" and resid 31   and name HB% )
      3.100     3.100     2.900 peak  2188 spectrum    1 weight  0.10000E+01 volume  0.11511E-02 ppm1      2.341 ppm2      1.526 CV     1
 ASSI { 2192}
   (  segid " 1SG" and resid 76   and name HG2%)
   (  segid " 1SG" and resid 83   and name HD% )
      3.000     1.100     1.100 peak  2192 spectrum    1 weight  0.10000E+01 volume  0.11488E-02 ppm1      0.821 ppm2      7.134 CV     1
 ASSI { 2197}
   (( segid " 1SG" and resid 27   and name HD1 ))
   (( segid " 1SG" and resid 9    and name HB2 ))
      2.900     1.100     1.100 peak  2197 spectrum    1 weight  0.10000E+01 volume  0.11462E-02 ppm1      3.125 ppm2      1.911 CV     1
 OR { 2197}
   (( segid " 1SG" and resid 27   and name HD2 ))
   (( segid " 1SG" and resid 9    and name HB2 ))
 ASSI { 2202}
   (  segid " 1SG" and resid 39   and name HG1%)
   (  segid " 1SG" and resid 91   and name HG2%)
      3.600     1.600     1.600 peak  2202 spectrum    1 weight  0.10000E+01 volume  0.11442E-02 ppm1     -0.058 ppm2      0.160 CV     1
 ASSI { 2207}
   (( segid " 1SG" and resid 65   and name HA  ))
   (( segid " 1SG" and resid 68   and name HA  ))
      3.000     1.100     1.100 peak  2207 spectrum    1 weight  0.10000E+01 volume  0.11399E-02 ppm1      3.454 ppm2      3.592 CV     1
 ASSI { 2222}
   (( segid " 1SG" and resid 48   and name HA  ))
   (( segid " 1SG" and resid 48   and name HB2 ))
      3.000     1.100     1.100 peak  2222 spectrum    1 weight  0.10000E+01 volume  0.11289E-02 ppm1      4.212 ppm2      2.933 CV     1
 ASSI { 2227}
   (( segid " 1SG" and resid 104  and name HA  ))
   (( segid " 1SG" and resid 104  and name HG  ))
      3.000     1.100     1.100 peak  2227 spectrum    1 weight  0.10000E+01 volume  0.11253E-02 ppm1      5.435 ppm2      1.354 CV     1
 ASSI { 2232}
   (  segid " 1SG" and resid 22   and name HD1%)
   (( segid " 1SG" and resid 22   and name HA  ))
      3.000     1.100     1.100 peak  2232 spectrum    1 weight  0.10000E+01 volume  0.11218E-02 ppm1      0.551 ppm2      4.359 CV     1
 OR { 2232}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 22   and name HA  ))
 ASSI { 2236}
   (  segid " 1SG" and resid 16   and name HG1%)
   (( segid " 1SG" and resid 22   and name HG12))
      3.100     1.200     1.200 peak  2236 spectrum    1 weight  0.10000E+01 volume  0.11196E-02 ppm1      0.978 ppm2      0.115 CV     1
 ASSI { 2241}
   (( segid " 1SG" and resid 27   and name HD1 ))
   (( segid " 1SG" and resid 9    and name HG2 ))
      3.100     1.200     1.200 peak  2241 spectrum    1 weight  0.10000E+01 volume  0.11181E-02 ppm1      3.123 ppm2      2.513 CV     1
 OR { 2241}
   (( segid " 1SG" and resid 27   and name HD2 ))
   (( segid " 1SG" and resid 9    and name HG2 ))
 ASSI { 2243}
   (( segid " 1SG" and resid 28   and name HB  ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      2.700     0.900     0.900 peak  2243 spectrum    1 weight  0.10000E+01 volume  0.11171E-02 ppm1      1.975 ppm2      2.823 CV     1
 ASSI { 2255}
   (  segid " 1SG" and resid 77   and name HG2%)
   (( segid " 1SG" and resid 75   and name HB1 ))
      2.800     1.000     1.000 peak  2255 spectrum    1 weight  0.10000E+01 volume  0.11122E-02 ppm1      1.046 ppm2      2.909 CV     1
 ASSI { 2258}
   (( segid " 1SG" and resid 6    and name HB2 ))
   (  segid " 1SG" and resid 6    and name HD1%)
      2.900     1.000     1.000 peak  2258 spectrum    1 weight  0.10000E+01 volume  0.11110E-02 ppm1      0.963 ppm2      0.668 CV     1
 ASSI { 2267}
   (( segid " 1SG" and resid 49   and name HA  ))
   (( segid " 1SG" and resid 52   and name HG1 ))
      3.600     1.600     1.600 peak  2267 spectrum    1 weight  0.10000E+01 volume  0.11064E-02 ppm1      3.862 ppm2      1.350 CV     1
 OR { 2267}
   (( segid " 1SG" and resid 49   and name HA  ))
   (( segid " 1SG" and resid 52   and name HG2 ))
 ASSI { 2271}
   (( segid " 1SG" and resid 76   and name HB  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      3.500     3.500     2.500 peak  2271 spectrum    1 weight  0.10000E+01 volume  0.11036E-02 ppm1      1.936 ppm2      1.428 CV     1
 ASSI { 2279}
   (( segid " 1SG" and resid 88   and name HA  ))
   (( segid " 1SG" and resid 99   and name HB2 ))
      3.200     3.200     2.800 peak  2279 spectrum    1 weight  0.10000E+01 volume  0.10973E-02 ppm1      5.350 ppm2      2.743 CV     1
 ASSI { 2289}
   (  segid " 1SG" and resid 28   and name HG2%)
   (( segid " 1SG" and resid 37   and name HB2 ))
      3.300     1.400     1.400 peak  2289 spectrum    1 weight  0.10000E+01 volume  0.10914E-02 ppm1      0.647 ppm2      1.378 CV     1
 OR { 2289}
   (  segid " 1SG" and resid 28   and name HG2%)
   (( segid " 1SG" and resid 37   and name HG2 ))
 ASSI { 2293}
   (( segid " 1SG" and resid 31   and name HA  ))
   (( segid " 1SG" and resid 68   and name HG2 ))
      3.200     1.300     1.300 peak  2293 spectrum    1 weight  0.10000E+01 volume  0.10893E-02 ppm1      4.171 ppm2      1.264 CV     1
 OR { 2293}
   (( segid " 1SG" and resid 31   and name HA  ))
   (( segid " 1SG" and resid 68   and name HG1 ))
 ASSI { 2296}
   (  segid " 1SG" and resid 59   and name HD2%)
   (( segid " 1SG" and resid 41   and name HD1 ))
      3.100     1.200     1.200 peak  2296 spectrum    1 weight  0.10000E+01 volume  0.10869E-02 ppm1      0.713 ppm2      7.136 CV     1
 ASSI { 2297}
   (( segid " 1SG" and resid 33   and name HB2 ))
   (( segid " 1SG" and resid 93   and name HA  ))
      3.500     1.600     1.600 peak  2297 spectrum    1 weight  0.10000E+01 volume  0.10864E-02 ppm1      1.752 ppm2      4.754 CV     1
 ASSI { 2301}
   (( segid " 1SG" and resid 91   and name HB  ))
   (  segid " 1SG" and resid 39   and name HG2%)
      2.900     1.000     1.000 peak  2301 spectrum    1 weight  0.10000E+01 volume  0.10841E-02 ppm1      1.137 ppm2     -0.446 CV     1
 ASSI { 2305}
   (( segid " 1SG" and resid 6    and name HG  ))
   (( segid " 1SG" and resid 96   and name HB2 ))
      3.600     1.600     1.600 peak  2305 spectrum    1 weight  0.10000E+01 volume  0.10815E-02 ppm1      1.340 ppm2      1.586 CV     1
 ASSI { 2310}
   (( segid " 1SG" and resid 70   and name HA  ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      3.200     1.300     1.300 peak  2310 spectrum    1 weight  0.10000E+01 volume  0.10785E-02 ppm1      4.744 ppm2      2.830 CV     1
 ASSI { 2317}
   (( segid " 1SG" and resid 93   and name HB  ))
   (  segid " 1SG" and resid 33   and name HD1%)
      3.400     1.400     1.400 peak  2317 spectrum    1 weight  0.10000E+01 volume  0.10758E-02 ppm1      4.559 ppm2      0.871 CV     1
 OR { 2317}
   (( segid " 1SG" and resid 93   and name HB  ))
   (  segid " 1SG" and resid 33   and name HD2%)
 ASSI { 2331}
   (  segid " 1SG" and resid 106  and name HG1%)
   (( segid " 1SG" and resid 81   and name HA  ))
      2.900     1.100     1.100 peak  2331 spectrum    1 weight  0.10000E+01 volume  0.10699E-02 ppm1      0.693 ppm2      4.008 CV     1
 ASSI { 2335}
   (( segid " 1SG" and resid 39   and name HA  ))
   (( segid " 1SG" and resid 39   and name HB  ))
      3.000     1.100     1.100 peak  2335 spectrum    1 weight  0.10000E+01 volume  0.10657E-02 ppm1      4.804 ppm2      0.587 CV     1
 ASSI { 2340}
   (( segid " 1SG" and resid 98   and name HA  ))
   (( segid " 1SG" and resid 98   and name HB2 ))
      3.200     1.300     1.300 peak  2340 spectrum    1 weight  0.10000E+01 volume  0.10639E-02 ppm1      4.694 ppm2      2.296 CV     1
 ASSI { 2346}
   (( segid " 1SG" and resid 6    and name HB2 ))
   (  segid " 1SG" and resid 6    and name HD2%)
      2.900     1.100     1.100 peak  2346 spectrum    1 weight  0.10000E+01 volume  0.10602E-02 ppm1      0.963 ppm2      0.486 CV     1
 ASSI { 2362}
   (( segid " 1SG" and resid 7    and name HA  ))
   (( segid " 1SG" and resid 7    and name HB2 ))
      3.000     1.100     1.100 peak  2362 spectrum    1 weight  0.10000E+01 volume  0.10542E-02 ppm1      4.637 ppm2      2.585 CV     1
 ASSI { 2363}
   (( segid " 1SG" and resid 36   and name HA  ))
   (( segid " 1SG" and resid 36   and name HG2 ))
      3.600     1.700     1.700 peak  2363 spectrum    1 weight  0.10000E+01 volume  0.10535E-02 ppm1      4.009 ppm2      1.986 CV     1
 ASSI { 2364}
   (( segid " 1SG" and resid 81   and name HD2 ))
   (( segid " 1SG" and resid 80   and name HB2 ))
      3.200     1.300     1.300 peak  2364 spectrum    1 weight  0.10000E+01 volume  0.10533E-02 ppm1      3.586 ppm2      1.952 CV     1
 OR { 2364}
   (( segid " 1SG" and resid 81   and name HD2 ))
   (( segid " 1SG" and resid 80   and name HB1 ))
 ASSI { 2366}
   (  segid " 1SG" and resid 59   and name HD1%)
   (( segid " 1SG" and resid 59   and name HA  ))
      3.700     1.700     1.700 peak  2366 spectrum    1 weight  0.10000E+01 volume  0.10523E-02 ppm1      0.860 ppm2      5.189 CV     1
 ASSI { 2373}
   (( segid " 1SG" and resid 98   and name HB2 ))
   (( segid " 1SG" and resid 6    and name HB2 ))
      3.100     1.200     1.200 peak  2373 spectrum    1 weight  0.10000E+01 volume  0.10449E-02 ppm1      2.279 ppm2      0.921 CV     1
 ASSI { 2378}
   (( segid " 1SG" and resid 104  and name HA  ))
   (( segid " 1SG" and resid 104  and name HB2 ))
      2.700     0.900     0.900 peak  2378 spectrum    1 weight  0.10000E+01 volume  0.10427E-02 ppm1      5.436 ppm2      1.226 CV     1
 ASSI { 2379}
   (( segid " 1SG" and resid 13   and name HB2 ))
   (( segid " 1SG" and resid 12   and name HB2 ))
      2.500     2.500     3.500 peak  2379 spectrum    1 weight  0.10000E+01 volume  0.10420E-02 ppm1      2.629 ppm2      1.972 CV     1
 ASSI { 2382}
   (  segid " 1SG" and resid 76   and name HD1%)
   (( segid " 1SG" and resid 76   and name HA  ))
      3.600     1.600     1.600 peak  2382 spectrum    1 weight  0.10000E+01 volume  0.10402E-02 ppm1      0.679 ppm2      5.010 CV     1
 ASSI { 2392}
   (( segid " 1SG" and resid 43   and name HA  ))
   (( segid " 1SG" and resid 43   and name HB2 ))
      2.800     0.900     0.900 peak  2392 spectrum    1 weight  0.10000E+01 volume  0.10354E-02 ppm1      4.138 ppm2      1.232 CV     1
 ASSI { 2397}
   (( segid " 1SG" and resid 6    and name HA  ))
   (  segid " 1SG" and resid 29   and name HB% )
      2.900     1.100     1.100 peak  2397 spectrum    1 weight  0.10000E+01 volume  0.10340E-02 ppm1      4.459 ppm2      1.524 CV     1
 ASSI { 2402}
   (( segid " 1SG" and resid 101  and name HA  ))
   (( segid " 1SG" and resid 101  and name HB2 ))
      3.100     1.200     1.200 peak  2402 spectrum    1 weight  0.10000E+01 volume  0.10294E-02 ppm1      5.518 ppm2      2.697 CV     1
 ASSI { 2404}
   (  segid " 1SG" and resid 106  and name HG1%)
   (( segid " 1SG" and resid 83   and name HB2 ))
      3.100     1.200     1.200 peak  2404 spectrum    1 weight  0.10000E+01 volume  0.10288E-02 ppm1      0.689 ppm2      3.185 CV     1
 ASSI { 2405}
   (  segid " 1SG" and resid 26   and name HB% )
   (( segid " 1SG" and resid 72   and name HB2 ))
      3.100     1.200     1.200 peak  2405 spectrum    1 weight  0.10000E+01 volume  0.10283E-02 ppm1      1.468 ppm2      2.900 CV     1
 ASSI { 2415}
   (( segid " 1SG" and resid 43   and name HB2 ))
   (( segid " 1SG" and resid 43   and name HD2 ))
      2.900     1.100     1.100 peak  2415 spectrum    1 weight  0.10000E+01 volume  0.10205E-02 ppm1      1.235 ppm2      1.303 CV     1
 OR { 2415}
   (( segid " 1SG" and resid 43   and name HB2 ))
   (( segid " 1SG" and resid 43   and name HD1 ))
 ASSI { 2419}
   (( segid " 1SG" and resid 68   and name HA  ))
   (( segid " 1SG" and resid 68   and name HD2 ))
      3.300     1.300     1.300 peak  2419 spectrum    1 weight  0.10000E+01 volume  0.10193E-02 ppm1      3.611 ppm2      1.688 CV     1
 OR { 2419}
   (( segid " 1SG" and resid 68   and name HA  ))
   (( segid " 1SG" and resid 68   and name HD1 ))
 ASSI { 2422}
   (( segid " 1SG" and resid 77   and name HB  ))
   (( segid " 1SG" and resid 20   and name HA1 ))
      3.500     3.500     2.500 peak  2422 spectrum    1 weight  0.10000E+01 volume  0.10176E-02 ppm1      4.020 ppm2      3.721 CV     1
 ASSI { 2436}
   (( segid " 1SG" and resid 90   and name HA  ))
   (( segid " 1SG" and resid 90   and name HB2 ))
      3.100     1.200     1.200 peak  2436 spectrum    1 weight  0.10000E+01 volume  0.10088E-02 ppm1      4.768 ppm2      2.030 CV     1
 ASSI { 2438}
   (( segid " 1SG" and resid 41   and name HB2 ))
   (  segid " 1SG" and resid 49   and name HD2%)
      3.100     1.200     1.200 peak  2438 spectrum    1 weight  0.10000E+01 volume  0.10078E-02 ppm1      3.149 ppm2      1.032 CV     1
 ASSI { 2444}
   (( segid " 1SG" and resid 39   and name HA  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      3.400     1.500     1.500 peak  2444 spectrum    1 weight  0.10000E+01 volume  0.10024E-02 ppm1      4.810 ppm2      0.189 CV     1
 OR { 2444}
   (( segid " 1SG" and resid 39   and name HA  ))
   (  segid " 1SG" and resid 91   and name HG1%)
 ASSI { 2472}
   (( segid " 1SG" and resid 41   and name HA  ))
   (( segid " 1SG" and resid 41   and name HB2 ))
      3.200     1.300     1.300 peak  2472 spectrum    1 weight  0.10000E+01 volume  0.98666E-03 ppm1      5.478 ppm2      3.157 CV     1
 ASSI { 2478}
   (  segid " 1SG" and resid 49   and name HD2%)
   (( segid " 1SG" and resid 53   and name HN  ))
      3.400     1.400     1.400 peak  2478 spectrum    1 weight  0.10000E+01 volume  0.98014E-03 ppm1      1.042 ppm2      6.757 CV     1
 ASSI { 2484}
   (( segid " 1SG" and resid 103  and name HA  ))
   (( segid " 1SG" and resid 86   and name HA1 ))
      3.800     1.800     1.800 peak  2484 spectrum    1 weight  0.10000E+01 volume  0.97843E-03 ppm1      5.555 ppm2      3.498 CV     1
 ASSI { 2491}
   (( segid " 1SG" and resid 76   and name HA  ))
   (( segid " 1SG" and resid 76   and name HG12))
      2.800     1.000     1.000 peak  2491 spectrum    1 weight  0.10000E+01 volume  0.97487E-03 ppm1      5.014 ppm2      1.107 CV     1
 ASSI { 2498}
   (( segid " 1SG" and resid 69   and name HA  ))
   (( segid " 1SG" and resid 69   and name HB  ))
      3.000     1.200     1.200 peak  2498 spectrum    1 weight  0.10000E+01 volume  0.96886E-03 ppm1      4.599 ppm2      1.771 CV     1
 ASSI { 2500}
   (( segid " 1SG" and resid 3    and name HD1 ))
   (( segid " 1SG" and resid 3    and name HB2 ))
      3.500     1.600     1.600 peak  2500 spectrum    1 weight  0.10000E+01 volume  0.96620E-03 ppm1      3.865 ppm2      2.293 CV     1
 OR { 2500}
   (( segid " 1SG" and resid 3    and name HD2 ))
   (( segid " 1SG" and resid 3    and name HB1 ))
 OR { 2500}
   (( segid " 1SG" and resid 3    and name HD2 ))
   (( segid " 1SG" and resid 3    and name HB2 ))
 OR { 2500}
   (( segid " 1SG" and resid 3    and name HD1 ))
   (( segid " 1SG" and resid 3    and name HB1 ))
 ASSI { 2501}
   (( segid " 1SG" and resid 42   and name HA  ))
   (  segid " 1SG" and resid 49   and name HD1%)
      3.000     1.100     1.100 peak  2501 spectrum    1 weight  0.10000E+01 volume  0.96605E-03 ppm1      5.813 ppm2      1.783 CV     1
 ASSI { 2511}
   (( segid " 1SG" and resid 16   and name HB  ))
   (( segid " 1SG" and resid 22   and name HB  ))
      3.300     1.400     1.400 peak  2511 spectrum    1 weight  0.10000E+01 volume  0.95536E-03 ppm1      1.814 ppm2      1.533 CV     1
 ASSI { 2523}
   (  segid " 1SG" and resid 53   and name HG1%)
   (( segid " 1SG" and resid 43   and name HB2 ))
      3.500     1.500     1.500 peak  2523 spectrum    1 weight  0.10000E+01 volume  0.95105E-03 ppm1      1.111 ppm2      1.209 CV     1
 OR { 2523}
   (  segid " 1SG" and resid 53   and name HG2%)
   (( segid " 1SG" and resid 43   and name HB2 ))
 ASSI { 2528}
   (( segid " 1SG" and resid 6    and name HA  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.700     1.700     1.700 peak  2528 spectrum    1 weight  0.10000E+01 volume  0.94824E-03 ppm1      4.452 ppm2      0.493 CV     1
 ASSI { 2549}
   (  segid " 1SG" and resid 39   and name HG2%)
   (( segid " 1SG" and resid 37   and name HB2 ))
      2.800     1.000     1.000 peak  2549 spectrum    1 weight  0.10000E+01 volume  0.93566E-03 ppm1     -0.453 ppm2      1.391 CV     1
 ASSI { 2550}
   (( segid " 1SG" and resid 85   and name HA2 ))
   (( segid " 1SG" and resid 44   and name HA2 ))
      3.200     1.200     1.200 peak  2550 spectrum    1 weight  0.10000E+01 volume  0.93551E-03 ppm1      4.537 ppm2      3.813 CV     1
 ASSI { 2580}
   (  segid " 1SG" and resid 59   and name HD1%)
   (( segid " 1SG" and resid 41   and name HD1 ))
      3.000     1.200     1.200 peak  2580 spectrum    1 weight  0.10000E+01 volume  0.91449E-03 ppm1      0.866 ppm2      7.141 CV     1
 ASSI { 2591}
   (( segid " 1SG" and resid 43   and name HA  ))
   (( segid " 1SG" and resid 43   and name HG2 ))
      3.400     1.400     1.400 peak  2591 spectrum    1 weight  0.10000E+01 volume  0.90717E-03 ppm1      4.134 ppm2      0.081 CV     1
 ASSI { 2595}
   (( segid " 1SG" and resid 108  and name HA  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.800     1.800     1.800 peak  2595 spectrum    1 weight  0.10000E+01 volume  0.90572E-03 ppm1      4.150 ppm2      0.398 CV     1
 ASSI { 2607}
   (  segid " 1SG" and resid 104  and name HD2%)
   (( segid " 1SG" and resid 104  and name HA  ))
      3.800     1.800     1.800 peak  2607 spectrum    1 weight  0.10000E+01 volume  0.89679E-03 ppm1      0.833 ppm2      5.446 CV     1
 ASSI {   29}
   (  segid " 1SG" and resid 97   and name HD% )
   (  segid " 1SG" and resid 97   and name HE% )
      2.100     0.500     0.500 peak    29 spectrum    1 weight  0.10000E+01 volume  0.74544E-02 ppm1      7.085 ppm2      7.264 CV     1
 ASSI {   35}
   (  segid " 1SG" and resid 42   and name HE% )
   (( segid " 1SG" and resid 42   and name HZ  ))
      2.100     0.600     0.600 peak    35 spectrum    1 weight  0.10000E+01 volume  0.64218E-02 ppm1      7.079 ppm2      7.178 CV     1
 ASSI {   46}
   (  segid " 1SG" and resid 70   and name HD% )
   (( segid " 1SG" and resid 70   and name HB2 ))
      2.000     0.500     0.500 peak    46 spectrum    1 weight  0.10000E+01 volume  0.67733E-02 ppm1      7.029 ppm2      2.797 CV     1
 ASSI {   51}
   (  segid " 1SG" and resid 87   and name HD% )
   (  segid " 1SG" and resid 76   and name HD1%)
      2.100     2.100     3.900 peak    51 spectrum    1 weight  0.10000E+01 volume  0.67733E-02 ppm1      6.766 ppm2      0.633 CV     1
 ASSI {   53}
   (  segid " 1SG" and resid 42   and name HD% )
   (  segid " 1SG" and resid 42   and name HE% )
      2.400     0.700     0.700 peak    53 spectrum    1 weight  0.10000E+01 volume  0.33268E-02 ppm1      6.664 ppm2      7.098 CV     1
 ASSI {   63}
   (  segid " 1SG" and resid 87   and name HE% )
   (( segid " 1SG" and resid 57   and name HG  ))
      2.000     2.000     4.000 peak    63 spectrum    1 weight  0.10000E+01 volume  0.67733E-02 ppm1      6.553 ppm2      0.751 CV     1
 ASSI {   66}
   (  segid " 1SG" and resid 83   and name HE% )
   (( segid " 1SG" and resid 46   and name HZ2 ))
      2.100     2.100     3.900 peak    66 spectrum    1 weight  0.10000E+01 volume  0.24500E-02 ppm1      7.259 ppm2      7.400 CV     1
 ASSI {   77}
   (  segid " 1SG" and resid 63   and name HE% )
   (  segid " 1SG" and resid 63   and name HD% )
      2.600     0.800     0.800 peak    77 spectrum    1 weight  0.10000E+01 volume  0.18887E-02 ppm1      6.071 ppm2      5.874 CV     1
 ASSI {   85}
   (  segid " 1SG" and resid 42   and name HE% )
   (( segid " 1SG" and resid 46   and name HD1 ))
      3.000     3.000     3.000 peak    85 spectrum    1 weight  0.10000E+01 volume  0.16293E-02 ppm1      7.117 ppm2      7.129 CV     1
 ASSI {   87}
   (( segid " 1SG" and resid 46   and name HH2 ))
   (( segid " 1SG" and resid 46   and name HZ2 ))
      2.700     0.900     0.900 peak    87 spectrum    1 weight  0.10000E+01 volume  0.15955E-02 ppm1      7.111 ppm2      7.374 CV     1
 ASSI {   97}
   (  segid " 1SG" and resid 70   and name HE% )
   (  segid " 1SG" and resid 70   and name HD% )
      2.700     0.900     0.900 peak    97 spectrum    1 weight  0.10000E+01 volume  0.13503E-02 ppm1      6.595 ppm2      7.034 CV     1
 ASSI {  102}
   (  segid " 1SG" and resid 87   and name HE% )
   (  segid " 1SG" and resid 102  and name HD% )
      2.900     2.900     3.100 peak   102 spectrum    1 weight  0.10000E+01 volume  0.13039E-02 ppm1      6.552 ppm2      6.764 CV     1
 ASSI {  104}
   (( segid " 1SG" and resid 46   and name HD1 ))
   (( segid " 1SG" and resid 46   and name HB2 ))
      2.100     2.100     3.900 peak   104 spectrum    1 weight  0.10000E+01 volume  0.67733E-02 ppm1      7.109 ppm2      3.051 CV     1
 ASSI {  109}
   (  segid " 1SG" and resid 87   and name HD% )
   (  segid " 1SG" and resid 87   and name HE% )
      2.700     0.900     0.900 peak   109 spectrum    1 weight  0.10000E+01 volume  0.12081E-02 ppm1      6.767 ppm2      6.573 CV     1
 ASSI {  120}
   (  segid " 1SG" and resid 102  and name HD% )
   (  segid " 1SG" and resid 102  and name HE% )
      2.100     0.500     0.500 peak   120 spectrum    1 weight  0.10000E+01 volume  0.67733E-02 ppm1      6.778 ppm2      7.092 CV     1
 ASSI {  125}
   (( segid " 1SG" and resid 56   and name HE1 ))
   (( segid " 1SG" and resid 57   and name HG  ))
      3.200     1.200     1.200 peak   125 spectrum    1 weight  0.10000E+01 volume  0.10235E-02 ppm1      7.630 ppm2      0.738 CV     1
 ASSI {  168}
   (  segid " 1SG" and resid 83   and name HD% )
   (( segid " 1SG" and resid 80   and name HN  ))
      2.000     0.500     0.500 peak   168 spectrum    1 weight  0.10000E+01 volume  0.67733E-02 ppm1      7.090 ppm2      5.565 CV     1
 ASSI {  180}
   (( segid " 1SG" and resid 75   and name HE1 ))
   (( segid " 1SG" and resid 75   and name HB1 ))
      2.200     2.200     3.800 peak   180 spectrum    1 weight  0.10000E+01 volume  0.66565E-02 ppm1      8.255 ppm2      2.876 CV     1
 OR {  180}
   (( segid " 1SG" and resid 75   and name HE1 ))
   (( segid " 1SG" and resid 75   and name HB2 ))
 ASSI {  187}
   (  segid " 1SG" and resid 24   and name HD% )
   (  segid " 1SG" and resid 24   and name HE% )
      2.100     0.500     0.500 peak   187 spectrum    1 weight  0.10000E+01 volume  0.66565E-02 ppm1      6.951 ppm2      7.189 CV     1
 ASSI {  189}
   (  segid " 1SG" and resid 83   and name HE% )
   (( segid " 1SG" and resid 57   and name HG  ))
      1.800     1.800     4.200 peak   189 spectrum    1 weight  0.10000E+01 volume  0.66565E-02 ppm1      7.258 ppm2      0.724 CV     1
 ASSI {  190}
   (  segid " 1SG" and resid 83   and name HD% )
   (  segid " 1SG" and resid 83   and name HE% )
      2.100     0.500     0.500 peak   190 spectrum    1 weight  0.10000E+01 volume  0.66840E-02 ppm1      7.090 ppm2      7.269 CV     1
 ASSI {  192}
   (  segid " 1SG" and resid 63   and name HE% )
   (( segid " 1SG" and resid 65   and name HG2 ))
      2.100     0.600     0.600 peak   192 spectrum    1 weight  0.10000E+01 volume  0.66835E-02 ppm1      6.071 ppm2      1.670 CV     1
 OR {  192}
   (  segid " 1SG" and resid 63   and name HE% )
   (( segid " 1SG" and resid 65   and name HG1 ))
 ASSI {  195}
   (( segid " 1SG" and resid 41   and name HZ2 ))
   (( segid " 1SG" and resid 41   and name HH2 ))
      2.000     0.500     0.500 peak   195 spectrum    1 weight  0.10000E+01 volume  0.66835E-02 ppm1      7.080 ppm2      6.606 CV     1
 ASSI {    8}
   (( segid " 1SG" and resid 12   and name HE21))
   (( segid " 1SG" and resid 12   and name HE22))
      1.500     0.300     0.700 peak     8 spectrum    1 weight  0.10000E+01 volume  0.61042E-01 ppm1      7.451 ppm2      6.922 CV     1
 ASSI {   15}
   (( segid " 1SG" and resid 103  and name HD21))
   (( segid " 1SG" and resid 103  and name HD22))
      1.600     0.300     0.600 peak    15 spectrum    1 weight  0.10000E+01 volume  0.32421E-01 ppm1      7.722 ppm2      6.746 CV     1
 ASSI {   22}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 58   and name HE22))
      1.600     0.300     0.600 peak    22 spectrum    1 weight  0.10000E+01 volume  0.25547E-01 ppm1      7.438 ppm2      6.684 CV     1
 ASSI {   38}
   (( segid " 1SG" and resid 80   and name HE21))
   (( segid " 1SG" and resid 80   and name HE22))
      1.700     0.400     0.500 peak    38 spectrum    1 weight  0.10000E+01 volume  0.19158E-01 ppm1      6.985 ppm2      6.648 CV     1
 ASSI {   41}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 107  and name HA  ))
      2.000     0.500     0.500 peak    41 spectrum    1 weight  0.10000E+01 volume  0.18453E-01 ppm1      8.564 ppm2      4.843 CV     1
 ASSI {   51}
   (( segid " 1SG" and resid 66   and name HN  ))
   (  segid " 1SG" and resid 66   and name HB% )
      2.200     0.600     0.600 peak    51 spectrum    1 weight  0.10000E+01 volume  0.16501E-01 ppm1      8.106 ppm2      1.408 CV     1
 ASSI {   60}
   (( segid " 1SG" and resid 61   and name HN  ))
   (( segid " 1SG" and resid 60   and name HA  ))
      2.100     0.600     0.600 peak    60 spectrum    1 weight  0.10000E+01 volume  0.14176E-01 ppm1      8.180 ppm2      5.068 CV     1
 ASSI {   62}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 38   and name HA  ))
      2.000     0.500     0.500 peak    62 spectrum    1 weight  0.10000E+01 volume  0.13995E-01 ppm1      7.892 ppm2      3.893 CV     1
 ASSI {   64}
   (( segid " 1SG" and resid 17   and name HN  ))
   (( segid " 1SG" and resid 16   and name HA  ))
      2.200     0.600     0.600 peak    64 spectrum    1 weight  0.10000E+01 volume  0.13680E-01 ppm1      7.900 ppm2      4.580 CV     1
 ASSI {   67}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (( segid " 1SG" and resid 41   and name HD1 ))
      2.200     0.600     0.600 peak    67 spectrum    1 weight  0.10000E+01 volume  0.13149E-01 ppm1     10.780 ppm2      7.129 CV     1
 ASSI {   72}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 12   and name HA  ))
      2.200     0.600     0.600 peak    72 spectrum    1 weight  0.10000E+01 volume  0.12016E-01 ppm1      8.312 ppm2      4.679 CV     1
 ASSI {   80}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 95   and name HA  ))
      2.200     0.600     0.600 peak    80 spectrum    1 weight  0.10000E+01 volume  0.11297E-01 ppm1      7.969 ppm2      4.735 CV     1
 ASSI {   81}
   (( segid " 1SG" and resid 53   and name HN  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      2.000     0.500     0.500 peak    81 spectrum    1 weight  0.10000E+01 volume  0.11122E-01 ppm1      6.764 ppm2      1.067 CV     1
 ASSI {   84}
   (( segid " 1SG" and resid 21   and name HN  ))
   (( segid " 1SG" and resid 20   and name HA1 ))
      2.100     0.500     0.500 peak    84 spectrum    1 weight  0.10000E+01 volume  0.10430E-01 ppm1      8.170 ppm2      3.727 CV     1
 ASSI {   85}
   (( segid " 1SG" and resid 79   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      2.200     0.600     0.600 peak    85 spectrum    1 weight  0.10000E+01 volume  0.10387E-01 ppm1      8.974 ppm2      1.174 CV     1
 ASSI {   88}
   (( segid " 1SG" and resid 18   and name HN  ))
   (( segid " 1SG" and resid 17   and name HA  ))
      2.100     0.600     0.600 peak    88 spectrum    1 weight  0.10000E+01 volume  0.10216E-01 ppm1      8.005 ppm2      4.728 CV     1
 ASSI {   95}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 53   and name HA  ))
      2.100     0.500     0.500 peak    95 spectrum    1 weight  0.10000E+01 volume  0.94930E-02 ppm1      9.019 ppm2      4.049 CV     1
 ASSI {  102}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 93   and name HA  ))
      2.700     2.700     3.300 peak   102 spectrum    1 weight  0.10000E+01 volume  0.92757E-02 ppm1      7.511 ppm2      4.762 CV     1
 ASSI {  111}
   (( segid " 1SG" and resid 93   and name HN  ))
   (( segid " 1SG" and resid 92   and name HA  ))
      2.300     0.600     0.600 peak   111 spectrum    1 weight  0.10000E+01 volume  0.87788E-02 ppm1      8.557 ppm2      5.243 CV     1
 ASSI {  112}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 58   and name HA  ))
      2.100     0.600     0.600 peak   112 spectrum    1 weight  0.10000E+01 volume  0.87235E-02 ppm1      8.381 ppm2      4.632 CV     1
 ASSI {  114}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 64   and name HA  ))
      2.200     0.600     0.600 peak   114 spectrum    1 weight  0.10000E+01 volume  0.84982E-02 ppm1      8.306 ppm2      4.576 CV     1
 ASSI {  116}
   (( segid " 1SG" and resid 48   and name HN  ))
   (( segid " 1SG" and resid 47   and name HA  ))
      2.200     0.600     0.600 peak   116 spectrum    1 weight  0.10000E+01 volume  0.83581E-02 ppm1      8.397 ppm2      4.057 CV     1
 ASSI {  117}
   (( segid " 1SG" and resid 21   and name HN  ))
   (( segid " 1SG" and resid 20   and name HA2 ))
      3.000     1.100     1.100 peak   117 spectrum    1 weight  0.10000E+01 volume  0.83571E-02 ppm1      8.169 ppm2      4.378 CV     1
 ASSI {  120}
   (( segid " 1SG" and resid 23   and name HN  ))
   (( segid " 1SG" and resid 22   and name HA  ))
      2.200     0.600     0.600 peak   120 spectrum    1 weight  0.10000E+01 volume  0.82908E-02 ppm1      7.914 ppm2      4.342 CV     1
 ASSI {  122}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 59   and name HA  ))
      2.200     0.600     0.600 peak   122 spectrum    1 weight  0.10000E+01 volume  0.82440E-02 ppm1      8.687 ppm2      5.184 CV     1
 ASSI {  123}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 21   and name HA  ))
      2.200     0.600     0.600 peak   123 spectrum    1 weight  0.10000E+01 volume  0.81827E-02 ppm1      8.888 ppm2      5.491 CV     1
 ASSI {  125}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 57   and name HA  ))
      2.000     0.500     0.500 peak   125 spectrum    1 weight  0.10000E+01 volume  0.81303E-02 ppm1      8.940 ppm2      5.399 CV     1
 ASSI {  126}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 61   and name HA  ))
      2.100     0.600     0.600 peak   126 spectrum    1 weight  0.10000E+01 volume  0.81094E-02 ppm1      8.849 ppm2      5.560 CV     1
 ASSI {  128}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 53   and name HB  ))
      2.300     0.700     0.700 peak   128 spectrum    1 weight  0.10000E+01 volume  0.80307E-02 ppm1      6.764 ppm2      2.128 CV     1
 ASSI {  130}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 4    and name HB  ))
      2.100     0.500     0.500 peak   130 spectrum    1 weight  0.10000E+01 volume  0.79280E-02 ppm1      8.264 ppm2      2.024 CV     1
 ASSI {  133}
   (( segid " 1SG" and resid 77   and name HN  ))
   (( segid " 1SG" and resid 76   and name HA  ))
      2.200     0.600     0.600 peak   133 spectrum    1 weight  0.10000E+01 volume  0.77795E-02 ppm1      8.717 ppm2      4.983 CV     1
 ASSI {  135}
   (( segid " 1SG" and resid 85   and name HN  ))
   (( segid " 1SG" and resid 84   and name HA  ))
      2.300     0.700     0.700 peak   135 spectrum    1 weight  0.10000E+01 volume  0.77296E-02 ppm1      9.407 ppm2      4.227 CV     1
 OR {  135}
   (( segid " 1SG" and resid 85   and name HN  ))
   (( segid " 1SG" and resid 84   and name HB  ))
 ASSI {  137}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 66   and name HA  ))
      2.500     0.800     0.800 peak   137 spectrum    1 weight  0.10000E+01 volume  0.77097E-02 ppm1      8.106 ppm2      4.123 CV     1
 ASSI {  140}
   (( segid " 1SG" and resid 29   and name HN  ))
   (  segid " 1SG" and resid 29   and name HB% )
      2.400     0.700     0.700 peak   140 spectrum    1 weight  0.10000E+01 volume  0.74784E-02 ppm1      8.854 ppm2      1.508 CV     1
 ASSI {  142}
   (( segid " 1SG" and resid 47   and name HN  ))
   (  segid " 1SG" and resid 47   and name HG1%)
      3.000     1.100     1.100 peak   142 spectrum    1 weight  0.10000E+01 volume  0.74490E-02 ppm1      7.291 ppm2      0.977 CV     1
 ASSI {  145}
   (( segid " 1SG" and resid 18   and name HN  ))
   (  segid " 1SG" and resid 18   and name HG2%)
      2.300     0.700     0.700 peak   145 spectrum    1 weight  0.10000E+01 volume  0.73822E-02 ppm1      8.005 ppm2      0.939 CV     1
 ASSI {  147}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 96   and name HA  ))
      2.200     0.600     0.600 peak   147 spectrum    1 weight  0.10000E+01 volume  0.73433E-02 ppm1      8.065 ppm2      4.772 CV     1
 ASSI {  148}
   (( segid " 1SG" and resid 12   and name HE21))
   (( segid " 1SG" and resid 12   and name HG2 ))
      2.400     0.700     0.700 peak   148 spectrum    1 weight  0.10000E+01 volume  0.73159E-02 ppm1      7.451 ppm2      2.471 CV     1
 OR {  148}
   (( segid " 1SG" and resid 12   and name HE21))
   (( segid " 1SG" and resid 12   and name HG1 ))
 ASSI {  150}
   (( segid " 1SG" and resid 101  and name HD22))
   (( segid " 1SG" and resid 12   and name HE21))
      2.000     2.000     4.000 peak   150 spectrum    1 weight  0.10000E+01 volume  0.72721E-02 ppm1      6.723 ppm2      7.459 CV     1
 ASSI {  152}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 108  and name HB2 ))
      2.400     0.700     0.700 peak   152 spectrum    1 weight  0.10000E+01 volume  0.72416E-02 ppm1      8.564 ppm2      1.911 CV     1
 ASSI {  155}
   (( segid " 1SG" and resid 19   and name HN  ))
   (( segid " 1SG" and resid 18   and name HA  ))
      2.100     0.500     0.500 peak   155 spectrum    1 weight  0.10000E+01 volume  0.70886E-02 ppm1      9.827 ppm2      3.479 CV     1
 ASSI {  156}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 14   and name HA2 ))
      2.300     0.700     0.700 peak   156 spectrum    1 weight  0.10000E+01 volume  0.70468E-02 ppm1      8.504 ppm2      4.931 CV     1
 ASSI {  159}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 78   and name HA  ))
      2.300     0.700     0.700 peak   159 spectrum    1 weight  0.10000E+01 volume  0.69371E-02 ppm1      8.974 ppm2      4.103 CV     1
 ASSI {  160}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 39   and name HA  ))
      2.100     0.600     0.600 peak   160 spectrum    1 weight  0.10000E+01 volume  0.67726E-02 ppm1      8.694 ppm2      4.799 CV     1
 ASSI {  161}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 37   and name HA  ))
      2.200     0.600     0.600 peak   161 spectrum    1 weight  0.10000E+01 volume  0.67263E-02 ppm1      8.374 ppm2      4.490 CV     1
 ASSI {  164}
   (( segid " 1SG" and resid 29   and name HN  ))
   (( segid " 1SG" and resid 28   and name HA  ))
      2.200     0.600     0.600 peak   164 spectrum    1 weight  0.10000E+01 volume  0.66590E-02 ppm1      8.854 ppm2      4.898 CV     1
 ASSI {  166}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 1    and name HA  ))
      2.100     0.600     0.600 peak   166 spectrum    1 weight  0.10000E+01 volume  0.65558E-02 ppm1      8.116 ppm2      4.614 CV     1
 ASSI {  167}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 24   and name HA  ))
      2.400     0.700     0.700 peak   167 spectrum    1 weight  0.10000E+01 volume  0.65045E-02 ppm1      8.399 ppm2      4.620 CV     1
 ASSI {  169}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 40   and name HA  ))
      2.200     0.600     0.600 peak   169 spectrum    1 weight  0.10000E+01 volume  0.64825E-02 ppm1      9.308 ppm2      4.547 CV     1
 ASSI {  170}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 107  and name HB2 ))
      3.100     1.200     1.200 peak   170 spectrum    1 weight  0.10000E+01 volume  0.64382E-02 ppm1      8.564 ppm2      3.074 CV     1
 OR {  170}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 107  and name HB1 ))
 ASSI {  175}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 23   and name HA  ))
      2.300     0.600     0.600 peak   175 spectrum    1 weight  0.10000E+01 volume  0.63111E-02 ppm1      9.240 ppm2      5.100 CV     1
 ASSI {  176}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 91   and name HA  ))
      2.300     0.700     0.700 peak   176 spectrum    1 weight  0.10000E+01 volume  0.62657E-02 ppm1      8.734 ppm2      4.747 CV     1
 ASSI {  177}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 78   and name HA  ))
      2.300     0.600     0.600 peak   177 spectrum    1 weight  0.10000E+01 volume  0.61581E-02 ppm1      8.053 ppm2      4.102 CV     1
 ASSI {  179}
   (( segid " 1SG" and resid 67   and name HN  ))
   (  segid " 1SG" and resid 66   and name HB% )
      2.700     0.900     0.900 peak   179 spectrum    1 weight  0.10000E+01 volume  0.61491E-02 ppm1      7.421 ppm2      1.408 CV     1
 ASSI {  180}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 3    and name HA  ))
      2.400     0.700     0.700 peak   180 spectrum    1 weight  0.10000E+01 volume  0.60923E-02 ppm1      8.264 ppm2      4.443 CV     1
 ASSI {  181}
   (( segid " 1SG" and resid 101  and name HD21))
   (( segid " 1SG" and resid 101  and name HD22))
      2.200     0.600     0.600 peak   181 spectrum    1 weight  0.10000E+01 volume  0.60753E-02 ppm1      7.438 ppm2      6.719 CV     1
 ASSI {  184}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 108  and name HA  ))
      2.500     0.800     0.800 peak   184 spectrum    1 weight  0.10000E+01 volume  0.59472E-02 ppm1      8.564 ppm2      4.141 CV     1
 ASSI {  186}
   (( segid " 1SG" and resid 30   and name HN  ))
   (( segid " 1SG" and resid 29   and name HA  ))
      2.200     0.600     0.600 peak   186 spectrum    1 weight  0.10000E+01 volume  0.58934E-02 ppm1      8.591 ppm2      4.384 CV     1
 ASSI {  189}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 77   and name HA  ))
      2.300     0.600     0.600 peak   189 spectrum    1 weight  0.10000E+01 volume  0.57743E-02 ppm1      8.053 ppm2      4.655 CV     1
 ASSI {  191}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 20   and name HA1 ))
      2.300     0.700     0.700 peak   191 spectrum    1 weight  0.10000E+01 volume  0.56841E-02 ppm1      8.825 ppm2      3.727 CV     1
 ASSI {  192}
   (( segid " 1SG" and resid 68   and name HN  ))
   (( segid " 1SG" and resid 68   and name HA  ))
      2.300     0.700     0.700 peak   192 spectrum    1 weight  0.10000E+01 volume  0.56557E-02 ppm1      7.877 ppm2      3.593 CV     1
 ASSI {  193}
   (( segid " 1SG" and resid 17   and name HN  ))
   (( segid " 1SG" and resid 17   and name HB  ))
      2.600     0.800     0.800 peak   193 spectrum    1 weight  0.10000E+01 volume  0.56407E-02 ppm1      7.899 ppm2      4.062 CV     1
 ASSI {  194}
   (( segid " 1SG" and resid 69   and name HN  ))
   (  segid " 1SG" and resid 69   and name HG2%)
      2.700     0.900     0.900 peak   194 spectrum    1 weight  0.10000E+01 volume  0.56322E-02 ppm1      6.899 ppm2      0.850 CV     1
 OR {  194}
   (( segid " 1SG" and resid 69   and name HN  ))
   (  segid " 1SG" and resid 69   and name HG1%)
 ASSI {  197}
   (( segid " 1SG" and resid 39   and name HN  ))
   (  segid " 1SG" and resid 38   and name HG2%)
      3.400     1.400     1.400 peak   197 spectrum    1 weight  0.10000E+01 volume  0.55739E-02 ppm1      7.892 ppm2      0.789 CV     1
 ASSI {  198}
   (( segid " 1SG" and resid 63   and name HN  ))
   (( segid " 1SG" and resid 62   and name HA  ))
      2.500     0.800     0.800 peak   198 spectrum    1 weight  0.10000E+01 volume  0.55291E-02 ppm1      8.517 ppm2      4.602 CV     1
 ASSI {  199}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 13   and name HA  ))
      2.700     0.900     0.900 peak   199 spectrum    1 weight  0.10000E+01 volume  0.55101E-02 ppm1      9.183 ppm2      5.338 CV     1
 ASSI {  200}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 72   and name HA  ))
      2.300     0.600     0.600 peak   200 spectrum    1 weight  0.10000E+01 volume  0.54832E-02 ppm1      9.450 ppm2      5.366 CV     1
 ASSI {  201}
   (( segid " 1SG" and resid 12   and name HN  ))
   (( segid " 1SG" and resid 11   and name HA  ))
      2.500     0.800     0.800 peak   201 spectrum    1 weight  0.10000E+01 volume  0.54782E-02 ppm1      8.345 ppm2      4.804 CV     1
 ASSI {  202}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 46   and name HZ2 ))
      2.700     0.900     0.900 peak   202 spectrum    1 weight  0.10000E+01 volume  0.54742E-02 ppm1     10.116 ppm2      7.380 CV     1
 ASSI {  203}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 52   and name HN  ))
      2.500     0.800     0.800 peak   203 spectrum    1 weight  0.10000E+01 volume  0.54483E-02 ppm1      6.764 ppm2      7.787 CV     1
 ASSI {  204}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 20   and name HA2 ))
      2.900     1.000     1.000 peak   204 spectrum    1 weight  0.10000E+01 volume  0.54264E-02 ppm1      8.825 ppm2      4.373 CV     1
 ASSI {  206}
   (( segid " 1SG" and resid 26   and name HN  ))
   (( segid " 1SG" and resid 25   and name HA  ))
      2.300     0.700     0.700 peak   206 spectrum    1 weight  0.10000E+01 volume  0.53237E-02 ppm1      9.497 ppm2      5.685 CV     1
 ASSI {  208}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 105  and name HA  ))
      2.400     0.700     0.700 peak   208 spectrum    1 weight  0.10000E+01 volume  0.53023E-02 ppm1      8.151 ppm2      4.533 CV     1
 ASSI {  211}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 14   and name HA1 ))
      3.000     1.100     1.100 peak   211 spectrum    1 weight  0.10000E+01 volume  0.52714E-02 ppm1      8.504 ppm2      3.743 CV     1
 ASSI {  212}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HB2 ))
      2.600     0.900     0.900 peak   212 spectrum    1 weight  0.10000E+01 volume  0.52664E-02 ppm1      8.305 ppm2      1.753 CV     1
 OR {  212}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HB1 ))
 ASSI {  216}
   (( segid " 1SG" and resid 12   and name HE22))
   (( segid " 1SG" and resid 12   and name HG2 ))
      3.200     1.300     1.300 peak   216 spectrum    1 weight  0.10000E+01 volume  0.52210E-02 ppm1      6.922 ppm2      2.472 CV     1
 OR {  216}
   (( segid " 1SG" and resid 12   and name HE22))
   (( segid " 1SG" and resid 12   and name HG1 ))
 ASSI {  217}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 76   and name HG12))
      3.400     3.400     2.600 peak   217 spectrum    1 weight  0.10000E+01 volume  0.52026E-02 ppm1      9.019 ppm2      1.097 CV     1
 ASSI {  218}
   (( segid " 1SG" and resid 16   and name HN  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      2.600     0.800     0.800 peak   218 spectrum    1 weight  0.10000E+01 volume  0.51951E-02 ppm1      8.593 ppm2      0.602 CV     1
 ASSI {  219}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 67   and name HN  ))
      2.300     0.700     0.700 peak   219 spectrum    1 weight  0.10000E+01 volume  0.51787E-02 ppm1      8.106 ppm2      7.421 CV     1
 ASSI {  220}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 2    and name HB2 ))
      2.200     0.600     0.600 peak   220 spectrum    1 weight  0.10000E+01 volume  0.51208E-02 ppm1      8.116 ppm2      2.658 CV     1
 ASSI {  221}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 39   and name HB  ))
      2.600     0.800     0.800 peak   221 spectrum    1 weight  0.10000E+01 volume  0.50371E-02 ppm1      7.890 ppm2      0.582 CV     1
 ASSI {  222}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 35   and name HA  ))
      2.500     0.800     0.800 peak   222 spectrum    1 weight  0.10000E+01 volume  0.49992E-02 ppm1      7.511 ppm2      4.664 CV     1
 ASSI {  223}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 74   and name HA  ))
      2.300     0.700     0.700 peak   223 spectrum    1 weight  0.10000E+01 volume  0.49917E-02 ppm1      9.151 ppm2      4.330 CV     1
 ASSI {  228}
   (( segid " 1SG" and resid 15   and name HN  ))
   (  segid " 1SG" and resid 22   and name HD1%)
      3.200     1.200     1.200 peak   228 spectrum    1 weight  0.10000E+01 volume  0.48519E-02 ppm1      8.505 ppm2      0.527 CV     1
 ASSI {  229}
   (( segid " 1SG" and resid 85   and name HN  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      3.000     1.100     1.100 peak   229 spectrum    1 weight  0.10000E+01 volume  0.48373E-02 ppm1      9.407 ppm2      1.494 CV     1
 ASSI {  230}
   (( segid " 1SG" and resid 22   and name HN  ))
   (  segid " 1SG" and resid 22   and name HG2%)
      2.500     0.800     0.800 peak   230 spectrum    1 weight  0.10000E+01 volume  0.48095E-02 ppm1      8.888 ppm2      0.583 CV     1
 ASSI {  231}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 68   and name HN  ))
      2.200     0.600     0.600 peak   231 spectrum    1 weight  0.10000E+01 volume  0.47840E-02 ppm1      7.422 ppm2      7.877 CV     1
 ASSI {  232}
   (( segid " 1SG" and resid 38   and name HN  ))
   (  segid " 1SG" and resid 38   and name HG1%)
      3.000     1.100     1.100 peak   232 spectrum    1 weight  0.10000E+01 volume  0.47789E-02 ppm1      8.373 ppm2      0.842 CV     1
 ASSI {  235}
   (( segid " 1SG" and resid 18   and name HN  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      2.700     0.900     0.900 peak   235 spectrum    1 weight  0.10000E+01 volume  0.47118E-02 ppm1      8.004 ppm2      1.281 CV     1
 ASSI {  236}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 108  and name HG1 ))
      3.400     1.500     1.500 peak   236 spectrum    1 weight  0.10000E+01 volume  0.47033E-02 ppm1      8.564 ppm2      2.233 CV     1
 OR {  236}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 108  and name HG2 ))
 ASSI {  240}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 26   and name HA  ))
      2.500     0.800     0.800 peak   240 spectrum    1 weight  0.10000E+01 volume  0.45932E-02 ppm1      8.891 ppm2      4.916 CV     1
 ASSI {  243}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 47   and name HB  ))
      2.700     0.900     0.900 peak   243 spectrum    1 weight  0.10000E+01 volume  0.45397E-02 ppm1      7.291 ppm2      2.508 CV     1
 ASSI {  244}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 13   and name HB2 ))
      2.800     1.000     1.000 peak   244 spectrum    1 weight  0.10000E+01 volume  0.45327E-02 ppm1      8.312 ppm2      2.683 CV     1
 ASSI {  245}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      2.900     1.000     1.000 peak   245 spectrum    1 weight  0.10000E+01 volume  0.45052E-02 ppm1      7.198 ppm2      1.453 CV     1
 ASSI {  246}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 103  and name HA  ))
      2.400     0.700     0.700 peak   246 spectrum    1 weight  0.10000E+01 volume  0.45044E-02 ppm1      8.793 ppm2      5.542 CV     1
 ASSI {  247}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 98   and name HA  ))
      2.700     0.900     0.900 peak   247 spectrum    1 weight  0.10000E+01 volume  0.45032E-02 ppm1      9.228 ppm2      4.702 CV     1
 ASSI {  248}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 38   and name HB  ))
      2.700     0.900     0.900 peak   248 spectrum    1 weight  0.10000E+01 volume  0.44959E-02 ppm1      8.373 ppm2      1.890 CV     1
 ASSI {  250}
   (( segid " 1SG" and resid 70   and name HN  ))
   (( segid " 1SG" and resid 69   and name HA  ))
      2.400     0.700     0.700 peak   250 spectrum    1 weight  0.10000E+01 volume  0.44140E-02 ppm1      9.273 ppm2      4.579 CV     1
 ASSI {  251}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 84   and name HN  ))
      2.500     0.800     0.800 peak   251 spectrum    1 weight  0.10000E+01 volume  0.44064E-02 ppm1      8.255 ppm2      7.866 CV     1
 ASSI {  253}
   (( segid " 1SG" and resid 10   and name HN  ))
   (( segid " 1SG" and resid 9    and name HA  ))
      2.600     0.900     0.900 peak   253 spectrum    1 weight  0.10000E+01 volume  0.43567E-02 ppm1      8.853 ppm2      4.646 CV     1
 ASSI {  256}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 102  and name HA  ))
      2.500     0.800     0.800 peak   256 spectrum    1 weight  0.10000E+01 volume  0.43253E-02 ppm1      9.243 ppm2      4.989 CV     1
 ASSI {  259}
   (( segid " 1SG" and resid 23   and name HN  ))
   (( segid " 1SG" and resid 23   and name HB  ))
      2.600     0.900     0.900 peak   259 spectrum    1 weight  0.10000E+01 volume  0.42308E-02 ppm1      7.914 ppm2      3.583 CV     1
 ASSI {  265}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 35   and name HG1 ))
      2.500     0.800     0.800 peak   265 spectrum    1 weight  0.10000E+01 volume  0.40971E-02 ppm1      7.511 ppm2      1.348 CV     1
 OR {  265}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 35   and name HG2 ))
 ASSI {  266}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 79   and name HA  ))
      2.700     0.900     0.900 peak   266 spectrum    1 weight  0.10000E+01 volume  0.40481E-02 ppm1      8.973 ppm2      3.661 CV     1
 ASSI {  267}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HG1 ))
      2.800     0.900     0.900 peak   267 spectrum    1 weight  0.10000E+01 volume  0.40347E-02 ppm1      8.306 ppm2      1.685 CV     1
 OR {  267}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HG2 ))
 ASSI {  268}
   (( segid " 1SG" and resid 72   and name HN  ))
   (( segid " 1SG" and resid 71   and name HA  ))
      2.300     0.600     0.600 peak   268 spectrum    1 weight  0.10000E+01 volume  0.40195E-02 ppm1      9.295 ppm2      5.062 CV     1
 ASSI {  269}
   (( segid " 1SG" and resid 17   and name HN  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      3.200     1.300     1.300 peak   269 spectrum    1 weight  0.10000E+01 volume  0.40128E-02 ppm1      7.900 ppm2      1.280 CV     1
 ASSI {  270}
   (( segid " 1SG" and resid 29   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG2%)
      2.600     0.800     0.800 peak   270 spectrum    1 weight  0.10000E+01 volume  0.39999E-02 ppm1      8.855 ppm2      0.945 CV     1
 OR {  270}
   (( segid " 1SG" and resid 29   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG1%)
 ASSI {  271}
   (( segid " 1SG" and resid 94   and name HN  ))
   (( segid " 1SG" and resid 93   and name HA  ))
      2.500     0.800     0.800 peak   271 spectrum    1 weight  0.10000E+01 volume  0.39951E-02 ppm1      8.339 ppm2      4.764 CV     1
 ASSI {  272}
   (( segid " 1SG" and resid 93   and name HN  ))
   (( segid " 1SG" and resid 92   and name HB1 ))
      3.500     1.500     1.500 peak   272 spectrum    1 weight  0.10000E+01 volume  0.39820E-02 ppm1      8.558 ppm2      3.937 CV     1
 OR {  272}
   (( segid " 1SG" and resid 93   and name HN  ))
   (( segid " 1SG" and resid 92   and name HB2 ))
 ASSI {  273}
   (( segid " 1SG" and resid 77   and name HN  ))
   (  segid " 1SG" and resid 76   and name HG2%)
      3.000     1.100     1.100 peak   273 spectrum    1 weight  0.10000E+01 volume  0.38979E-02 ppm1      8.717 ppm2      0.785 CV     1
 ASSI {  274}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 95   and name HN  ))
      1.800     0.400     0.400 peak   274 spectrum    1 weight  0.10000E+01 volume  0.38805E-02 ppm1      7.549 ppm2      7.973 CV     1
 ASSI {  275}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB2 ))
      2.500     0.800     0.800 peak   275 spectrum    1 weight  0.10000E+01 volume  0.38672E-02 ppm1      8.381 ppm2      1.692 CV     1
 OR {  275}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB1 ))
 ASSI {  276}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 96   and name HB2 ))
      3.600     1.600     1.600 peak   276 spectrum    1 weight  0.10000E+01 volume  0.38416E-02 ppm1      8.263 ppm2      1.571 CV     1
 ASSI {  278}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 5    and name HN  ))
      2.400     0.700     0.700 peak   278 spectrum    1 weight  0.10000E+01 volume  0.38240E-02 ppm1      8.263 ppm2      8.143 CV     1
 ASSI {  279}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 68   and name HN  ))
      2.600     0.900     0.900 peak   279 spectrum    1 weight  0.10000E+01 volume  0.38134E-02 ppm1      6.899 ppm2      7.876 CV     1
 ASSI {  281}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 104  and name HA  ))
      2.500     0.800     0.800 peak   281 spectrum    1 weight  0.10000E+01 volume  0.38039E-02 ppm1      8.399 ppm2      5.431 CV     1
 ASSI {  285}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 4    and name HA  ))
      2.600     0.900     0.900 peak   285 spectrum    1 weight  0.10000E+01 volume  0.37769E-02 ppm1      8.264 ppm2      4.015 CV     1
 ASSI {  287}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 78   and name HN  ))
      2.900     1.100     1.100 peak   287 spectrum    1 weight  0.10000E+01 volume  0.37093E-02 ppm1      8.974 ppm2      8.055 CV     1
 ASSI {  288}
   (( segid " 1SG" and resid 86   and name HN  ))
   (( segid " 1SG" and resid 85   and name HA2 ))
      2.600     0.800     0.800 peak   288 spectrum    1 weight  0.10000E+01 volume  0.37055E-02 ppm1      7.948 ppm2      4.508 CV     1
 ASSI {  290}
   (( segid " 1SG" and resid 48   and name HN  ))
   (( segid " 1SG" and resid 48   and name HB2 ))
      2.800     1.000     1.000 peak   290 spectrum    1 weight  0.10000E+01 volume  0.36752E-02 ppm1      8.397 ppm2      2.936 CV     1
 ASSI {  291}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 65   and name HB2 ))
      3.000     1.100     1.100 peak   291 spectrum    1 weight  0.10000E+01 volume  0.36726E-02 ppm1      8.106 ppm2      1.756 CV     1
 OR {  291}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 65   and name HB1 ))
 ASSI {  294}
   (( segid " 1SG" and resid 98   and name HN  ))
   (( segid " 1SG" and resid 97   and name HA  ))
      2.700     0.900     0.900 peak   294 spectrum    1 weight  0.10000E+01 volume  0.36242E-02 ppm1      8.417 ppm2      5.247 CV     1
 ASSI {  295}
   (( segid " 1SG" and resid 86   and name HN  ))
   (( segid " 1SG" and resid 85   and name HA1 ))
      2.900     1.100     1.100 peak   295 spectrum    1 weight  0.10000E+01 volume  0.36234E-02 ppm1      7.948 ppm2      3.928 CV     1
 ASSI {  297}
   (( segid " 1SG" and resid 19   and name HN  ))
   (( segid " 1SG" and resid 19   and name HA1 ))
      2.900     1.100     1.100 peak   297 spectrum    1 weight  0.10000E+01 volume  0.35815E-02 ppm1      9.829 ppm2      4.250 CV     1
 ASSI {  298}
   (( segid " 1SG" and resid 19   and name HN  ))
   (  segid " 1SG" and resid 18   and name HG1%)
      3.200     1.300     1.300 peak   298 spectrum    1 weight  0.10000E+01 volume  0.35808E-02 ppm1      9.828 ppm2      0.981 CV     1
 ASSI {  299}
   (( segid " 1SG" and resid 70   and name HN  ))
   (  segid " 1SG" and resid 69   and name HG1%)
      3.000     1.100     1.100 peak   299 spectrum    1 weight  0.10000E+01 volume  0.35428E-02 ppm1      9.273 ppm2      0.839 CV     1
 OR {  299}
   (( segid " 1SG" and resid 70   and name HN  ))
   (  segid " 1SG" and resid 69   and name HG2%)
 ASSI {  300}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 27   and name HA  ))
      2.500     0.800     0.800 peak   300 spectrum    1 weight  0.10000E+01 volume  0.35254E-02 ppm1      9.673 ppm2      5.831 CV     1
 ASSI {  302}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 53   and name HA  ))
      2.300     0.700     0.700 peak   302 spectrum    1 weight  0.10000E+01 volume  0.35227E-02 ppm1      6.765 ppm2      4.049 CV     1
 ASSI {  303}
   (( segid " 1SG" and resid 84   and name HN  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      3.500     1.500     1.500 peak   303 spectrum    1 weight  0.10000E+01 volume  0.35072E-02 ppm1      7.866 ppm2      1.494 CV     1
 ASSI {  305}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 51   and name HN  ))
      2.500     0.800     0.800 peak   305 spectrum    1 weight  0.10000E+01 volume  0.34911E-02 ppm1      7.784 ppm2      7.881 CV     1
 ASSI {  306}
   (( segid " 1SG" and resid 24   and name HN  ))
   (  segid " 1SG" and resid 23   and name HG2%)
      2.800     1.000     1.000 peak   306 spectrum    1 weight  0.10000E+01 volume  0.34786E-02 ppm1      9.240 ppm2      0.769 CV     1
 ASSI {  307}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 34   and name HA  ))
      2.900     1.100     1.100 peak   307 spectrum    1 weight  0.10000E+01 volume  0.34700E-02 ppm1      7.511 ppm2      4.289 CV     1
 ASSI {  308}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 2    and name HA  ))
      2.700     0.900     0.900 peak   308 spectrum    1 weight  0.10000E+01 volume  0.34678E-02 ppm1      8.115 ppm2      4.899 CV     1
 ASSI {  309}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 68   and name HA  ))
      2.700     0.900     0.900 peak   309 spectrum    1 weight  0.10000E+01 volume  0.34672E-02 ppm1      6.899 ppm2      3.593 CV     1
 ASSI {  310}
   (( segid " 1SG" and resid 90   and name HN  ))
   (( segid " 1SG" and resid 89   and name HA  ))
      2.600     0.900     0.900 peak   310 spectrum    1 weight  0.10000E+01 volume  0.34598E-02 ppm1      9.489 ppm2      4.946 CV     1
 ASSI {  311}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (  segid " 1SG" and resid 39   and name HG1%)
      2.800     1.000     1.000 peak   311 spectrum    1 weight  0.10000E+01 volume  0.34595E-02 ppm1     10.780 ppm2     -0.081 CV     1
 ASSI {  312}
   (( segid " 1SG" and resid 93   and name HN  ))
   (( segid " 1SG" and resid 93   and name HA  ))
      2.700     0.900     0.900 peak   312 spectrum    1 weight  0.10000E+01 volume  0.34440E-02 ppm1      8.558 ppm2      4.778 CV     1
 ASSI {  314}
   (( segid " 1SG" and resid 72   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD1%)
      2.700     0.900     0.900 peak   314 spectrum    1 weight  0.10000E+01 volume  0.34157E-02 ppm1      9.295 ppm2      0.842 CV     1
 ASSI {  315}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 67   and name HA  ))
      2.800     1.000     1.000 peak   315 spectrum    1 weight  0.10000E+01 volume  0.33750E-02 ppm1      7.421 ppm2      4.297 CV     1
 ASSI {  316}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 83   and name HA  ))
      2.700     0.900     0.900 peak   316 spectrum    1 weight  0.10000E+01 volume  0.33660E-02 ppm1      8.255 ppm2      4.603 CV     1
 ASSI {  318}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      3.500     1.500     1.500 peak   318 spectrum    1 weight  0.10000E+01 volume  0.33440E-02 ppm1      8.940 ppm2      1.448 CV     1
 ASSI {  319}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 48   and name HA  ))
      2.500     0.800     0.800 peak   319 spectrum    1 weight  0.10000E+01 volume  0.33422E-02 ppm1      9.288 ppm2      4.192 CV     1
 ASSI {  320}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 58   and name HB2 ))
      3.400     1.400     1.400 peak   320 spectrum    1 weight  0.10000E+01 volume  0.33399E-02 ppm1      7.438 ppm2      2.396 CV     1
 OR {  320}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 58   and name HB1 ))
 ASSI {  321}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 73   and name HA  ))
      2.500     0.800     0.800 peak   321 spectrum    1 weight  0.10000E+01 volume  0.33395E-02 ppm1      8.470 ppm2      5.470 CV     1
 ASSI {  322}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 52   and name HA  ))
      2.800     1.000     1.000 peak   322 spectrum    1 weight  0.10000E+01 volume  0.33386E-02 ppm1      7.785 ppm2      4.613 CV     1
 ASSI {  323}
   (( segid " 1SG" and resid 40   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG1%)
      3.000     1.200     1.200 peak   323 spectrum    1 weight  0.10000E+01 volume  0.32969E-02 ppm1      8.694 ppm2     -0.080 CV     1
 ASSI {  324}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 43   and name HA  ))
      2.500     0.800     0.800 peak   324 spectrum    1 weight  0.10000E+01 volume  0.32952E-02 ppm1      8.211 ppm2      4.128 CV     1
 ASSI {  326}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 83   and name HB2 ))
      2.400     0.700     0.700 peak   326 spectrum    1 weight  0.10000E+01 volume  0.32647E-02 ppm1      8.255 ppm2      3.172 CV     1
 ASSI {  327}
   (( segid " 1SG" and resid 75   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD2%)
      3.600     1.600     1.600 peak   327 spectrum    1 weight  0.10000E+01 volume  0.32474E-02 ppm1      9.151 ppm2      0.400 CV     1
 OR {  327}
   (( segid " 1SG" and resid 75   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI {  328}
   (( segid " 1SG" and resid 107  and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      2.900     1.100     1.100 peak   328 spectrum    1 weight  0.10000E+01 volume  0.32450E-02 ppm1      8.822 ppm2      0.372 CV     1
 ASSI {  329}
   (( segid " 1SG" and resid 64   and name HN  ))
   (( segid " 1SG" and resid 64   and name HB2 ))
      2.900     1.000     1.000 peak   329 spectrum    1 weight  0.10000E+01 volume  0.32447E-02 ppm1      7.752 ppm2      2.335 CV     1
 ASSI {  330}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 5    and name HA1 ))
      3.400     1.400     1.400 peak   330 spectrum    1 weight  0.10000E+01 volume  0.32358E-02 ppm1      8.264 ppm2      3.842 CV     1
 OR {  330}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 5    and name HA2 ))
 ASSI {  332}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 75   and name HB2 ))
      2.800     0.900     0.900 peak   332 spectrum    1 weight  0.10000E+01 volume  0.31933E-02 ppm1      9.150 ppm2      2.889 CV     1
 OR {  332}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 75   and name HB1 ))
 ASSI {  333}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 15   and name HB1 ))
      2.900     1.000     1.000 peak   333 spectrum    1 weight  0.10000E+01 volume  0.31885E-02 ppm1      8.504 ppm2      2.013 CV     1
 OR {  333}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 15   and name HB2 ))
 ASSI {  336}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (  segid " 1SG" and resid 59   and name HD2%)
      2.800     1.000     1.000 peak   336 spectrum    1 weight  0.10000E+01 volume  0.31434E-02 ppm1     10.780 ppm2      0.692 CV     1
 ASSI {  339}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 19   and name HN  ))
      2.500     0.800     0.800 peak   339 spectrum    1 weight  0.10000E+01 volume  0.31191E-02 ppm1      8.825 ppm2      9.828 CV     1
 ASSI {  340}
   (( segid " 1SG" and resid 80   and name HE21))
   (( segid " 1SG" and resid 80   and name HG1 ))
      2.800     1.000     1.000 peak   340 spectrum    1 weight  0.10000E+01 volume  0.31142E-02 ppm1      6.984 ppm2      2.164 CV     1
 OR {  340}
   (( segid " 1SG" and resid 80   and name HE21))
   (( segid " 1SG" and resid 80   and name HG2 ))
 ASSI {  342}
   (( segid " 1SG" and resid 18   and name HN  ))
   (( segid " 1SG" and resid 17   and name HB  ))
      3.000     1.100     1.100 peak   342 spectrum    1 weight  0.10000E+01 volume  0.31061E-02 ppm1      8.006 ppm2      4.061 CV     1
 ASSI {  344}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 107  and name HB1 ))
      2.800     0.900     0.900 peak   344 spectrum    1 weight  0.10000E+01 volume  0.30959E-02 ppm1      8.825 ppm2      3.076 CV     1
 OR {  344}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 107  and name HB2 ))
 ASSI {  346}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HA  ))
      2.800     1.000     1.000 peak   346 spectrum    1 weight  0.10000E+01 volume  0.30822E-02 ppm1      8.305 ppm2      3.450 CV     1
 ASSI {  348}
   (( segid " 1SG" and resid 21   and name HN  ))
   (( segid " 1SG" and resid 20   and name HN  ))
      3.600     1.700     1.700 peak   348 spectrum    1 weight  0.10000E+01 volume  0.30605E-02 ppm1      8.168 ppm2      8.828 CV     1
 ASSI {  350}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 42   and name HA  ))
      2.700     0.900     0.900 peak   350 spectrum    1 weight  0.10000E+01 volume  0.30449E-02 ppm1      8.632 ppm2      5.786 CV     1
 ASSI {  351}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 54   and name HN  ))
      2.700     0.900     0.900 peak   351 spectrum    1 weight  0.10000E+01 volume  0.30277E-02 ppm1      7.198 ppm2      9.022 CV     1
 ASSI {  352}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 15   and name HB2 ))
      3.300     1.400     1.400 peak   352 spectrum    1 weight  0.10000E+01 volume  0.30264E-02 ppm1      8.593 ppm2      2.019 CV     1
 OR {  352}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 15   and name HB1 ))
 ASSI {  353}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 4    and name HG12))
      3.600     1.600     1.600 peak   353 spectrum    1 weight  0.10000E+01 volume  0.30264E-02 ppm1      8.263 ppm2      1.225 CV     1
 ASSI {  354}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 16   and name HA  ))
      2.800     1.000     1.000 peak   354 spectrum    1 weight  0.10000E+01 volume  0.30234E-02 ppm1      8.593 ppm2      4.581 CV     1
 ASSI {  355}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 52   and name HA  ))
      3.100     1.200     1.200 peak   355 spectrum    1 weight  0.10000E+01 volume  0.30216E-02 ppm1      6.764 ppm2      4.611 CV     1
 ASSI {  356}
   (( segid " 1SG" and resid 48   and name HN  ))
   (  segid " 1SG" and resid 47   and name HG2%)
      3.700     1.700     1.700 peak   356 spectrum    1 weight  0.10000E+01 volume  0.30141E-02 ppm1      8.397 ppm2      0.779 CV     1
 ASSI {  357}
   (( segid " 1SG" and resid 23   and name HN  ))
   (( segid " 1SG" and resid 22   and name HG12))
      3.800     1.800     1.800 peak   357 spectrum    1 weight  0.10000E+01 volume  0.30116E-02 ppm1      7.913 ppm2      0.071 CV     1
 ASSI {  358}
   (( segid " 1SG" and resid 39   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG2%)
      2.700     0.900     0.900 peak   358 spectrum    1 weight  0.10000E+01 volume  0.30105E-02 ppm1      7.891 ppm2     -0.459 CV     1
 ASSI {  361}
   (( segid " 1SG" and resid 83   and name HN  ))
   (  segid " 1SG" and resid 82   and name HB% )
      3.200     1.300     1.300 peak   361 spectrum    1 weight  0.10000E+01 volume  0.29761E-02 ppm1      8.256 ppm2      1.312 CV     1
 ASSI {  362}
   (( segid " 1SG" and resid 18   and name HN  ))
   (( segid " 1SG" and resid 18   and name HA  ))
      2.700     0.900     0.900 peak   362 spectrum    1 weight  0.10000E+01 volume  0.29719E-02 ppm1      8.005 ppm2      3.479 CV     1
 ASSI {  363}
   (( segid " 1SG" and resid 47   and name HN  ))
   (  segid " 1SG" and resid 47   and name HG2%)
      2.600     2.600     3.400 peak   363 spectrum    1 weight  0.10000E+01 volume  0.29488E-02 ppm1      7.291 ppm2      0.780 CV     1
 ASSI {  364}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 65   and name HN  ))
      2.600     0.900     0.900 peak   364 spectrum    1 weight  0.10000E+01 volume  0.29434E-02 ppm1      8.106 ppm2      8.306 CV     1
 ASSI {  367}
   (( segid " 1SG" and resid 17   and name HN  ))
   (( segid " 1SG" and resid 16   and name HB  ))
      2.900     1.000     1.000 peak   367 spectrum    1 weight  0.10000E+01 volume  0.29291E-02 ppm1      7.901 ppm2      1.791 CV     1
 ASSI {  368}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 67   and name HB1 ))
      2.900     1.000     1.000 peak   368 spectrum    1 weight  0.10000E+01 volume  0.29263E-02 ppm1      7.421 ppm2      3.728 CV     1
 OR {  368}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 67   and name HB2 ))
 ASSI {  370}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 61   and name HB2 ))
      3.300     1.400     1.400 peak   370 spectrum    1 weight  0.10000E+01 volume  0.29185E-02 ppm1      8.849 ppm2      2.303 CV     1
 ASSI {  371}
   (( segid " 1SG" and resid 92   and name HN  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      2.700     0.900     0.900 peak   371 spectrum    1 weight  0.10000E+01 volume  0.29147E-02 ppm1      8.734 ppm2      0.173 CV     1
 ASSI {  372}
   (( segid " 1SG" and resid 64   and name HN  ))
   (( segid " 1SG" and resid 64   and name HA  ))
      2.800     1.000     1.000 peak   372 spectrum    1 weight  0.10000E+01 volume  0.29113E-02 ppm1      7.752 ppm2      4.579 CV     1
 ASSI {  373}
   (( segid " 1SG" and resid 64   and name HN  ))
   (  segid " 1SG" and resid 63   and name HD% )
      3.100     1.200     1.200 peak   373 spectrum    1 weight  0.10000E+01 volume  0.29004E-02 ppm1      7.752 ppm2      5.902 CV     1
 ASSI {  374}
   (( segid " 1SG" and resid 77   and name HN  ))
   (  segid " 1SG" and resid 77   and name HG2%)
      2.800     1.000     1.000 peak   374 spectrum    1 weight  0.10000E+01 volume  0.28874E-02 ppm1      8.717 ppm2      1.030 CV     1
 ASSI {  376}
   (( segid " 1SG" and resid 42   and name HN  ))
   (( segid " 1SG" and resid 41   and name HA  ))
      2.700     0.900     0.900 peak   376 spectrum    1 weight  0.10000E+01 volume  0.28795E-02 ppm1      9.447 ppm2      5.468 CV     1
 ASSI {  378}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 12   and name HB2 ))
      3.300     1.400     1.400 peak   378 spectrum    1 weight  0.10000E+01 volume  0.28706E-02 ppm1      8.312 ppm2      1.966 CV     1
 ASSI {  379}
   (( segid " 1SG" and resid 58   and name HE22))
   (( segid " 1SG" and resid 58   and name HB2 ))
      3.700     1.800     1.800 peak   379 spectrum    1 weight  0.10000E+01 volume  0.28635E-02 ppm1      6.684 ppm2      2.396 CV     1
 OR {  379}
   (( segid " 1SG" and resid 58   and name HE22))
   (( segid " 1SG" and resid 58   and name HB1 ))
 ASSI {  382}
   (( segid " 1SG" and resid 76   and name HN  ))
   (( segid " 1SG" and resid 76   and name HB  ))
      2.600     0.800     0.800 peak   382 spectrum    1 weight  0.10000E+01 volume  0.28442E-02 ppm1      8.925 ppm2      1.902 CV     1
 ASSI {  383}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 12   and name HG1 ))
      3.800     1.800     1.800 peak   383 spectrum    1 weight  0.10000E+01 volume  0.28410E-02 ppm1      8.312 ppm2      2.471 CV     1
 OR {  383}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 12   and name HG2 ))
 ASSI {  384}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 96   and name HG2 ))
      3.100     1.200     1.200 peak   384 spectrum    1 weight  0.10000E+01 volume  0.28381E-02 ppm1      7.548 ppm2      1.318 CV     1
 OR {  384}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 96   and name HG1 ))
 ASSI {  388}
   (( segid " 1SG" and resid 106  and name HN  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      3.300     1.400     1.400 peak   388 spectrum    1 weight  0.10000E+01 volume  0.28095E-02 ppm1      8.150 ppm2      1.495 CV     1
 ASSI {  389}
   (( segid " 1SG" and resid 26   and name HN  ))
   (  segid " 1SG" and resid 26   and name HB% )
      2.800     1.000     1.000 peak   389 spectrum    1 weight  0.10000E+01 volume  0.28066E-02 ppm1      9.497 ppm2      1.455 CV     1
 ASSI {  390}
   (( segid " 1SG" and resid 20   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      3.200     1.300     1.300 peak   390 spectrum    1 weight  0.10000E+01 volume  0.28032E-02 ppm1      8.825 ppm2      1.174 CV     1
 ASSI {  391}
   (( segid " 1SG" and resid 21   and name HN  ))
   (( segid " 1SG" and resid 21   and name HA  ))
      2.600     0.900     0.900 peak   391 spectrum    1 weight  0.10000E+01 volume  0.27992E-02 ppm1      8.169 ppm2      5.493 CV     1
 ASSI {  392}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 59   and name HG  ))
      3.600     1.600     1.600 peak   392 spectrum    1 weight  0.10000E+01 volume  0.27962E-02 ppm1      8.382 ppm2      1.425 CV     1
 ASSI {  393}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 57   and name HA  ))
      2.700     0.900     0.900 peak   393 spectrum    1 weight  0.10000E+01 volume  0.27961E-02 ppm1      7.198 ppm2      5.399 CV     1
 ASSI {  395}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 107  and name HA  ))
      2.800     1.000     1.000 peak   395 spectrum    1 weight  0.10000E+01 volume  0.27870E-02 ppm1      8.825 ppm2      4.841 CV     1
 ASSI {  396}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 53   and name HB  ))
      3.600     1.600     1.600 peak   396 spectrum    1 weight  0.10000E+01 volume  0.27785E-02 ppm1      9.019 ppm2      2.127 CV     1
 ASSI {  397}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 52   and name HG1 ))
      3.400     1.500     1.500 peak   397 spectrum    1 weight  0.10000E+01 volume  0.27770E-02 ppm1      7.786 ppm2      1.324 CV     1
 OR {  397}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 52   and name HG2 ))
 ASSI {  398}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 13   and name HA  ))
      2.800     1.000     1.000 peak   398 spectrum    1 weight  0.10000E+01 volume  0.27748E-02 ppm1      8.312 ppm2      5.337 CV     1
 ASSI {  399}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 44   and name HA1 ))
      2.700     0.900     0.900 peak   399 spectrum    1 weight  0.10000E+01 volume  0.27622E-02 ppm1      8.211 ppm2      3.463 CV     1
 ASSI {  400}
   (( segid " 1SG" and resid 70   and name HN  ))
   (  segid " 1SG" and resid 70   and name HD% )
      2.900     1.000     1.000 peak   400 spectrum    1 weight  0.10000E+01 volume  0.27578E-02 ppm1      9.270 ppm2      7.060 CV     1
 ASSI {  401}
   (( segid " 1SG" and resid 12   and name HN  ))
   (( segid " 1SG" and resid 12   and name HG2 ))
      3.000     1.100     1.100 peak   401 spectrum    1 weight  0.10000E+01 volume  0.27479E-02 ppm1      8.346 ppm2      2.468 CV     1
 OR {  401}
   (( segid " 1SG" and resid 12   and name HN  ))
   (( segid " 1SG" and resid 12   and name HG1 ))
 ASSI {  402}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 8    and name HN  ))
      2.700     0.900     0.900 peak   402 spectrum    1 weight  0.10000E+01 volume  0.27358E-02 ppm1      7.888 ppm2      9.053 CV     1
 ASSI {  403}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB2 ))
      3.500     1.600     1.600 peak   403 spectrum    1 weight  0.10000E+01 volume  0.27322E-02 ppm1      8.686 ppm2      1.687 CV     1
 OR {  403}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB1 ))
 ASSI {  404}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 62   and name HA  ))
      2.800     1.000     1.000 peak   404 spectrum    1 weight  0.10000E+01 volume  0.27309E-02 ppm1      8.849 ppm2      4.602 CV     1
 ASSI {  407}
   (( segid " 1SG" and resid 60   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD2%)
      3.100     1.200     1.200 peak   407 spectrum    1 weight  0.10000E+01 volume  0.27120E-02 ppm1      8.689 ppm2      0.691 CV     1
 ASSI {  408}
   (( segid " 1SG" and resid 106  and name HN  ))
   (  segid " 1SG" and resid 106  and name HG1%)
      2.600     0.900     0.900 peak   408 spectrum    1 weight  0.10000E+01 volume  0.26980E-02 ppm1      8.151 ppm2      0.679 CV     1
 ASSI {  409}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 41   and name HD1 ))
      2.800     1.000     1.000 peak   409 spectrum    1 weight  0.10000E+01 volume  0.26857E-02 ppm1      9.308 ppm2      7.130 CV     1
 ASSI {  411}
   (( segid " 1SG" and resid 51   and name HN  ))
   (( segid " 1SG" and resid 51   and name HA  ))
      3.000     1.100     1.100 peak   411 spectrum    1 weight  0.10000E+01 volume  0.26391E-02 ppm1      7.877 ppm2      4.560 CV     1
 ASSI {  413}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 15   and name HG1 ))
      3.200     1.300     1.300 peak   413 spectrum    1 weight  0.10000E+01 volume  0.26300E-02 ppm1      8.506 ppm2      2.277 CV     1
 OR {  413}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 15   and name HG2 ))
 ASSI {  415}
   (( segid " 1SG" and resid 17   and name HN  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      3.100     1.200     1.200 peak   415 spectrum    1 weight  0.10000E+01 volume  0.26294E-02 ppm1      7.900 ppm2      0.602 CV     1
 ASSI {  416}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 15   and name HA  ))
      2.800     1.000     1.000 peak   416 spectrum    1 weight  0.10000E+01 volume  0.26223E-02 ppm1      8.504 ppm2      5.491 CV     1
 ASSI {  417}
   (( segid " 1SG" and resid 103  and name HD21))
   (( segid " 1SG" and resid 103  and name HB2 ))
      2.600     0.900     0.900 peak   417 spectrum    1 weight  0.10000E+01 volume  0.26192E-02 ppm1      7.721 ppm2      2.502 CV     1
 ASSI {  421}
   (( segid " 1SG" and resid 80   and name HE22))
   (( segid " 1SG" and resid 80   and name HG1 ))
      3.600     1.600     1.600 peak   421 spectrum    1 weight  0.10000E+01 volume  0.26082E-02 ppm1      6.645 ppm2      2.164 CV     1
 OR {  421}
   (( segid " 1SG" and resid 80   and name HE22))
   (( segid " 1SG" and resid 80   and name HG2 ))
 ASSI {  422}
   (( segid " 1SG" and resid 100  and name HN  ))
   (( segid " 1SG" and resid 99   and name HA  ))
      2.800     1.000     1.000 peak   422 spectrum    1 weight  0.10000E+01 volume  0.25962E-02 ppm1      8.896 ppm2      5.700 CV     1
 ASSI {  424}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 38   and name HA  ))
      2.800     1.000     1.000 peak   424 spectrum    1 weight  0.10000E+01 volume  0.25830E-02 ppm1      8.372 ppm2      3.897 CV     1
 ASSI {  425}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 53   and name HB  ))
      3.000     1.100     1.100 peak   425 spectrum    1 weight  0.10000E+01 volume  0.25746E-02 ppm1      7.785 ppm2      2.145 CV     1
 ASSI {  426}
   (( segid " 1SG" and resid 78   and name HN  ))
   (  segid " 1SG" and resid 77   and name HG2%)
      3.900     1.900     1.900 peak   426 spectrum    1 weight  0.10000E+01 volume  0.25742E-02 ppm1      8.054 ppm2      1.025 CV     1
 ASSI {  427}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 103  and name HB2 ))
      2.800     1.000     1.000 peak   427 spectrum    1 weight  0.10000E+01 volume  0.25728E-02 ppm1      9.242 ppm2      2.501 CV     1
 ASSI {  430}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 50   and name HA  ))
      3.000     1.100     1.100 peak   430 spectrum    1 weight  0.10000E+01 volume  0.25440E-02 ppm1      8.940 ppm2      3.956 CV     1
 ASSI {  431}
   (( segid " 1SG" and resid 23   and name HN  ))
   (  segid " 1SG" and resid 22   and name HD1%)
      3.000     1.100     1.100 peak   431 spectrum    1 weight  0.10000E+01 volume  0.25409E-02 ppm1      7.912 ppm2      0.534 CV     1
 ASSI {  432}
   (( segid " 1SG" and resid 30   and name HN  ))
   (( segid " 1SG" and resid 69   and name HA  ))
      2.600     0.900     0.900 peak   432 spectrum    1 weight  0.10000E+01 volume  0.25337E-02 ppm1      8.591 ppm2      4.580 CV     1
 ASSI {  433}
   (( segid " 1SG" and resid 87   and name HN  ))
   (( segid " 1SG" and resid 86   and name HA1 ))
      3.500     1.600     1.600 peak   433 spectrum    1 weight  0.10000E+01 volume  0.25232E-02 ppm1      9.115 ppm2      3.473 CV     1
 ASSI {  434}
   (( segid " 1SG" and resid 61   and name HN  ))
   (( segid " 1SG" and resid 61   and name HA  ))
      2.700     0.900     0.900 peak   434 spectrum    1 weight  0.10000E+01 volume  0.25221E-02 ppm1      8.180 ppm2      5.560 CV     1
 ASSI {  435}
   (( segid " 1SG" and resid 87   and name HN  ))
   (( segid " 1SG" and resid 86   and name HA2 ))
      2.600     0.800     0.800 peak   435 spectrum    1 weight  0.10000E+01 volume  0.25159E-02 ppm1      9.112 ppm2      4.658 CV     1
 ASSI {  437}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 13   and name HA  ))
      2.900     1.100     1.100 peak   437 spectrum    1 weight  0.10000E+01 volume  0.25101E-02 ppm1      9.242 ppm2      5.338 CV     1
 ASSI {  439}
   (( segid " 1SG" and resid 8    and name HN  ))
   (( segid " 1SG" and resid 7    and name HA  ))
      2.700     0.900     0.900 peak   439 spectrum    1 weight  0.10000E+01 volume  0.25048E-02 ppm1      9.052 ppm2      4.631 CV     1
 ASSI {  440}
   (( segid " 1SG" and resid 86   and name HN  ))
   (( segid " 1SG" and resid 86   and name HA2 ))
      3.000     1.100     1.100 peak   440 spectrum    1 weight  0.10000E+01 volume  0.25046E-02 ppm1      7.947 ppm2      4.658 CV     1
 ASSI {  443}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 77   and name HB  ))
      2.700     0.900     0.900 peak   443 spectrum    1 weight  0.10000E+01 volume  0.24756E-02 ppm1      8.053 ppm2      4.009 CV     1
 ASSI {  446}
   (( segid " 1SG" and resid 101  and name HN  ))
   (( segid " 1SG" and resid 100  and name HA  ))
      2.800     1.000     1.000 peak   446 spectrum    1 weight  0.10000E+01 volume  0.24387E-02 ppm1      9.045 ppm2      4.660 CV     1
 ASSI {  448}
   (( segid " 1SG" and resid 63   and name HN  ))
   (( segid " 1SG" and resid 62   and name HB2 ))
      3.400     1.400     1.400 peak   448 spectrum    1 weight  0.10000E+01 volume  0.24376E-02 ppm1      8.516 ppm2      3.810 CV     1
 ASSI {  449}
   (( segid " 1SG" and resid 8    and name HN  ))
   (  segid " 1SG" and resid 8    and name HG2%)
      2.800     1.000     1.000 peak   449 spectrum    1 weight  0.10000E+01 volume  0.24375E-02 ppm1      9.052 ppm2      0.947 CV     1
 OR {  449}
   (( segid " 1SG" and resid 8    and name HN  ))
   (  segid " 1SG" and resid 8    and name HG1%)
 ASSI {  450}
   (( segid " 1SG" and resid 9    and name HN  ))
   (  segid " 1SG" and resid 8    and name HG2%)
      3.700     1.700     1.700 peak   450 spectrum    1 weight  0.10000E+01 volume  0.24225E-02 ppm1      7.890 ppm2      0.950 CV     1
 OR {  450}
   (( segid " 1SG" and resid 9    and name HN  ))
   (  segid " 1SG" and resid 8    and name HG1%)
 ASSI {  453}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 52   and name HB2 ))
      2.500     0.800     0.800 peak   453 spectrum    1 weight  0.10000E+01 volume  0.23996E-02 ppm1      7.785 ppm2      1.718 CV     1
 ASSI {  454}
   (( segid " 1SG" and resid 39   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG1%)
      3.600     1.700     1.700 peak   454 spectrum    1 weight  0.10000E+01 volume  0.23951E-02 ppm1      7.892 ppm2     -0.081 CV     1
 ASSI {  456}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 37   and name HB2 ))
      3.300     1.300     1.300 peak   456 spectrum    1 weight  0.10000E+01 volume  0.23804E-02 ppm1      8.373 ppm2      1.365 CV     1
 OR {  456}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 37   and name HG2 ))
 ASSI {  458}
   (( segid " 1SG" and resid 48   and name HN  ))
   (  segid " 1SG" and resid 47   and name HG1%)
      3.400     1.400     1.400 peak   458 spectrum    1 weight  0.10000E+01 volume  0.23668E-02 ppm1      8.397 ppm2      0.978 CV     1
 ASSI {  460}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 54   and name HA1 ))
      2.800     1.000     1.000 peak   460 spectrum    1 weight  0.10000E+01 volume  0.23578E-02 ppm1      9.019 ppm2      3.910 CV     1
 ASSI {  461}
   (( segid " 1SG" and resid 93   and name HN  ))
   (  segid " 1SG" and resid 93   and name HG2%)
      3.500     1.500     1.500 peak   461 spectrum    1 weight  0.10000E+01 volume  0.23528E-02 ppm1      8.557 ppm2      1.024 CV     1
 ASSI {  463}
   (( segid " 1SG" and resid 84   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG1%)
      2.800     1.000     1.000 peak   463 spectrum    1 weight  0.10000E+01 volume  0.23126E-02 ppm1      7.866 ppm2      0.680 CV     1
 ASSI {  465}
   (( segid " 1SG" and resid 40   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG2%)
      3.800     1.800     1.800 peak   465 spectrum    1 weight  0.10000E+01 volume  0.23054E-02 ppm1      8.695 ppm2     -0.459 CV     1
 ASSI {  466}
   (( segid " 1SG" and resid 24   and name HN  ))
   (  segid " 1SG" and resid 24   and name HD% )
      2.900     1.100     1.100 peak   466 spectrum    1 weight  0.10000E+01 volume  0.22975E-02 ppm1      9.240 ppm2      6.937 CV     1
 ASSI {  468}
   (( segid " 1SG" and resid 83   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG1%)
      2.800     1.000     1.000 peak   468 spectrum    1 weight  0.10000E+01 volume  0.22953E-02 ppm1      8.255 ppm2      0.675 CV     1
 ASSI {  469}
   (( segid " 1SG" and resid 27   and name HN  ))
   (  segid " 1SG" and resid 26   and name HB% )
      3.300     1.400     1.400 peak   469 spectrum    1 weight  0.10000E+01 volume  0.22864E-02 ppm1      8.888 ppm2      1.455 CV     1
 ASSI {  470}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 47   and name HA  ))
      2.700     0.900     0.900 peak   470 spectrum    1 weight  0.10000E+01 volume  0.22827E-02 ppm1      7.291 ppm2      4.058 CV     1
 ASSI {  474}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 21   and name HB2 ))
      2.800     1.000     1.000 peak   474 spectrum    1 weight  0.10000E+01 volume  0.22750E-02 ppm1      8.888 ppm2      3.751 CV     1
 ASSI {  476}
   (( segid " 1SG" and resid 51   and name HN  ))
   (( segid " 1SG" and resid 50   and name HN  ))
      2.800     1.000     1.000 peak   476 spectrum    1 weight  0.10000E+01 volume  0.22671E-02 ppm1      7.880 ppm2      8.943 CV     1
 ASSI {  477}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 18   and name HA  ))
      4.000     2.000     2.000 peak   477 spectrum    1 weight  0.10000E+01 volume  0.22651E-02 ppm1      8.823 ppm2      3.479 CV     1
 ASSI {  479}
   (( segid " 1SG" and resid 76   and name HN  ))
   (  segid " 1SG" and resid 23   and name HG2%)
      3.600     1.600     1.600 peak   479 spectrum    1 weight  0.10000E+01 volume  0.22613E-02 ppm1      8.927 ppm2      0.780 CV     1
 ASSI {  480}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 22   and name HA  ))
      2.800     1.000     1.000 peak   480 spectrum    1 weight  0.10000E+01 volume  0.22494E-02 ppm1      8.888 ppm2      4.342 CV     1
 ASSI {  482}
   (( segid " 1SG" and resid 49   and name HN  ))
   (  segid " 1SG" and resid 49   and name HD1%)
      2.700     0.900     0.900 peak   482 spectrum    1 weight  0.10000E+01 volume  0.22435E-02 ppm1      9.288 ppm2      1.750 CV     1
 ASSI {  483}
   (( segid " 1SG" and resid 30   and name HN  ))
   (( segid " 1SG" and resid 30   and name HA1 ))
      2.700     0.900     0.900 peak   483 spectrum    1 weight  0.10000E+01 volume  0.22361E-02 ppm1      8.591 ppm2      3.945 CV     1
 ASSI {  484}
   (( segid " 1SG" and resid 18   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.000     1.100     1.100 peak   484 spectrum    1 weight  0.10000E+01 volume  0.22137E-02 ppm1      8.006 ppm2      0.372 CV     1
 ASSI {  487}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 69   and name HB  ))
      3.100     3.100     2.900 peak   487 spectrum    1 weight  0.10000E+01 volume  0.21891E-02 ppm1      8.723 ppm2      1.750 CV     1
 ASSI {  489}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 97   and name HB2 ))
      3.100     1.200     1.200 peak   489 spectrum    1 weight  0.10000E+01 volume  0.21842E-02 ppm1      8.062 ppm2      2.677 CV     1
 ASSI {  490}
   (( segid " 1SG" and resid 83   and name HN  ))
   (  segid " 1SG" and resid 83   and name HD% )
      3.700     1.700     1.700 peak   490 spectrum    1 weight  0.10000E+01 volume  0.21840E-02 ppm1      8.256 ppm2      7.116 CV     1
 ASSI {  493}
   (( segid " 1SG" and resid 23   and name HN  ))
   (( segid " 1SG" and resid 22   and name HB  ))
      3.900     1.900     1.900 peak   493 spectrum    1 weight  0.10000E+01 volume  0.21762E-02 ppm1      7.914 ppm2      1.515 CV     1
 ASSI {  495}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 44   and name HA2 ))
      2.900     1.100     1.100 peak   495 spectrum    1 weight  0.10000E+01 volume  0.21645E-02 ppm1      8.211 ppm2      3.816 CV     1
 ASSI {  498}
   (( segid " 1SG" and resid 52   and name HN  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      3.300     1.300     1.300 peak   498 spectrum    1 weight  0.10000E+01 volume  0.21556E-02 ppm1      7.782 ppm2      1.075 CV     1
 ASSI {  500}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 66   and name HA  ))
      3.100     1.200     1.200 peak   500 spectrum    1 weight  0.10000E+01 volume  0.21519E-02 ppm1      7.422 ppm2      4.123 CV     1
 ASSI {  501}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 106  and name HB  ))
      3.000     1.100     1.100 peak   501 spectrum    1 weight  0.10000E+01 volume  0.21486E-02 ppm1      8.151 ppm2      1.850 CV     1
 ASSI {  502}
   (( segid " 1SG" and resid 30   and name HN  ))
   (  segid " 1SG" and resid 69   and name HG1%)
      3.600     1.600     1.600 peak   502 spectrum    1 weight  0.10000E+01 volume  0.21409E-02 ppm1      8.591 ppm2      0.849 CV     1
 OR {  502}
   (( segid " 1SG" and resid 30   and name HN  ))
   (  segid " 1SG" and resid 69   and name HG2%)
 ASSI {  503}
   (( segid " 1SG" and resid 87   and name HN  ))
   (  segid " 1SG" and resid 87   and name HD% )
      2.700     0.900     0.900 peak   503 spectrum    1 weight  0.10000E+01 volume  0.21258E-02 ppm1      9.115 ppm2      6.800 CV     1
 ASSI {  504}
   (( segid " 1SG" and resid 61   and name HN  ))
   (( segid " 1SG" and resid 60   and name HB2 ))
      3.800     1.800     1.800 peak   504 spectrum    1 weight  0.10000E+01 volume  0.21178E-02 ppm1      8.180 ppm2      2.991 CV     1
 ASSI {  506}
   (( segid " 1SG" and resid 82   and name HN  ))
   (  segid " 1SG" and resid 82   and name HB% )
      3.200     1.300     1.300 peak   506 spectrum    1 weight  0.10000E+01 volume  0.21027E-02 ppm1      8.017 ppm2      1.312 CV     1
 ASSI {  508}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 96   and name HB2 ))
      3.800     1.800     1.800 peak   508 spectrum    1 weight  0.10000E+01 volume  0.20940E-02 ppm1      8.059 ppm2      1.560 CV     1
 ASSI {  509}
   (( segid " 1SG" and resid 80   and name HE21))
   (( segid " 1SG" and resid 80   and name HB2 ))
      3.000     1.100     1.100 peak   509 spectrum    1 weight  0.10000E+01 volume  0.20907E-02 ppm1      6.985 ppm2      1.949 CV     1
 OR {  509}
   (( segid " 1SG" and resid 80   and name HE21))
   (( segid " 1SG" and resid 80   and name HB1 ))
 ASSI {  510}
   (( segid " 1SG" and resid 85   and name HN  ))
   (( segid " 1SG" and resid 85   and name HA1 ))
      2.900     1.100     1.100 peak   510 spectrum    1 weight  0.10000E+01 volume  0.20811E-02 ppm1      9.407 ppm2      3.930 CV     1
 ASSI {  511}
   (( segid " 1SG" and resid 12   and name HN  ))
   (( segid " 1SG" and resid 12   and name HB2 ))
      2.900     1.000     1.000 peak   511 spectrum    1 weight  0.10000E+01 volume  0.20704E-02 ppm1      8.347 ppm2      1.969 CV     1
 ASSI {  512}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 102  and name HB2 ))
      3.300     1.300     1.300 peak   512 spectrum    1 weight  0.10000E+01 volume  0.20704E-02 ppm1      9.242 ppm2      2.724 CV     1
 ASSI {  515}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 20   and name HN  ))
      3.200     1.300     1.300 peak   515 spectrum    1 weight  0.10000E+01 volume  0.20631E-02 ppm1      8.972 ppm2      8.828 CV     1
 ASSI {  516}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 8    and name HB  ))
      2.900     1.000     1.000 peak   516 spectrum    1 weight  0.10000E+01 volume  0.20540E-02 ppm1      7.887 ppm2      1.807 CV     1
 ASSI {  518}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 87   and name HA  ))
      2.900     1.000     1.000 peak   518 spectrum    1 weight  0.10000E+01 volume  0.20474E-02 ppm1      9.108 ppm2      4.962 CV     1
 ASSI {  522}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB1 ))
      3.600     1.700     1.700 peak   522 spectrum    1 weight  0.10000E+01 volume  0.20312E-02 ppm1      8.381 ppm2      2.395 CV     1
 OR {  522}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB2 ))
 ASSI {  526}
   (( segid " 1SG" and resid 29   and name HN  ))
   (( segid " 1SG" and resid 29   and name HA  ))
      2.800     1.000     1.000 peak   526 spectrum    1 weight  0.10000E+01 volume  0.19919E-02 ppm1      8.854 ppm2      4.390 CV     1
 ASSI {  527}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 49   and name HG  ))
      2.900     1.000     1.000 peak   527 spectrum    1 weight  0.10000E+01 volume  0.19838E-02 ppm1      9.289 ppm2      0.785 CV     1
 ASSI {  530}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 54   and name HA2 ))
      3.300     1.300     1.300 peak   530 spectrum    1 weight  0.10000E+01 volume  0.19703E-02 ppm1      9.019 ppm2      4.291 CV     1
 ASSI {  531}
   (( segid " 1SG" and resid 19   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      3.400     1.400     1.400 peak   531 spectrum    1 weight  0.10000E+01 volume  0.19566E-02 ppm1      9.828 ppm2      1.174 CV     1
 ASSI {  532}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 60   and name HB2 ))
      2.900     1.100     1.100 peak   532 spectrum    1 weight  0.10000E+01 volume  0.19547E-02 ppm1      8.687 ppm2      2.990 CV     1
 ASSI {  533}
   (( segid " 1SG" and resid 5    and name HN  ))
   (( segid " 1SG" and resid 4    and name HB  ))
      2.500     0.800     0.800 peak   533 spectrum    1 weight  0.10000E+01 volume  0.19457E-02 ppm1      8.144 ppm2      2.029 CV     1
 ASSI {  534}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 71   and name HN  ))
      3.000     1.100     1.100 peak   534 spectrum    1 weight  0.10000E+01 volume  0.19439E-02 ppm1      8.848 ppm2      8.722 CV     1
 ASSI {  535}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 105  and name HB  ))
      3.000     1.100     1.100 peak   535 spectrum    1 weight  0.10000E+01 volume  0.19346E-02 ppm1      8.398 ppm2      3.929 CV     1
 ASSI {  537}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 58   and name HA  ))
      2.900     1.000     1.000 peak   537 spectrum    1 weight  0.10000E+01 volume  0.19327E-02 ppm1      8.940 ppm2      4.631 CV     1
 ASSI {  539}
   (( segid " 1SG" and resid 28   and name HN  ))
   (  segid " 1SG" and resid 28   and name HG2%)
      3.000     1.200     1.200 peak   539 spectrum    1 weight  0.10000E+01 volume  0.19259E-02 ppm1      9.673 ppm2      0.631 CV     1
 ASSI {  540}
   (( segid " 1SG" and resid 48   and name HN  ))
   (( segid " 1SG" and resid 48   and name HA  ))
      3.000     1.100     1.100 peak   540 spectrum    1 weight  0.10000E+01 volume  0.19192E-02 ppm1      8.396 ppm2      4.191 CV     1
 ASSI {  541}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 40   and name HB2 ))
      3.700     1.700     1.700 peak   541 spectrum    1 weight  0.10000E+01 volume  0.19176E-02 ppm1      8.694 ppm2      1.340 CV     1
 ASSI {  542}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 59   and name HA  ))
      2.900     1.000     1.000 peak   542 spectrum    1 weight  0.10000E+01 volume  0.19161E-02 ppm1      8.380 ppm2      5.185 CV     1
 ASSI {  544}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 16   and name HN  ))
      3.200     1.300     1.300 peak   544 spectrum    1 weight  0.10000E+01 volume  0.19053E-02 ppm1      8.823 ppm2      8.584 CV     1
 ASSI {  545}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 93   and name HN  ))
      2.800     1.000     1.000 peak   545 spectrum    1 weight  0.10000E+01 volume  0.19039E-02 ppm1      7.548 ppm2      8.557 CV     1
 ASSI {  546}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 71   and name HB2 ))
      3.300     1.400     1.400 peak   546 spectrum    1 weight  0.10000E+01 volume  0.18988E-02 ppm1      8.723 ppm2      1.271 CV     1
 ASSI {  548}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 58   and name HG2 ))
      4.400     2.500     1.600 peak   548 spectrum    1 weight  0.10000E+01 volume  0.18920E-02 ppm1      8.378 ppm2      1.797 CV     1
 ASSI {  549}
   (( segid " 1SG" and resid 91   and name HN  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      3.800     1.800     1.800 peak   549 spectrum    1 weight  0.10000E+01 volume  0.18920E-02 ppm1      8.474 ppm2      0.179 CV     1
 ASSI {  550}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 14   and name HA2 ))
      3.000     1.100     1.100 peak   550 spectrum    1 weight  0.10000E+01 volume  0.18875E-02 ppm1      9.184 ppm2      4.939 CV     1
 ASSI {  551}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 40   and name HB2 ))
      3.400     1.500     1.500 peak   551 spectrum    1 weight  0.10000E+01 volume  0.18840E-02 ppm1      9.309 ppm2      1.344 CV     1
 ASSI {  554}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 88   and name HA  ))
      2.900     1.000     1.000 peak   554 spectrum    1 weight  0.10000E+01 volume  0.18749E-02 ppm1      8.977 ppm2      5.305 CV     1
 ASSI {  555}
   (( segid " 1SG" and resid 59   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD1%)
      4.100     2.100     1.900 peak   555 spectrum    1 weight  0.10000E+01 volume  0.18712E-02 ppm1      8.380 ppm2      0.859 CV     1
 ASSI {  558}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 49   and name HN  ))
      2.900     1.000     1.000 peak   558 spectrum    1 weight  0.10000E+01 volume  0.18549E-02 ppm1      8.941 ppm2      9.293 CV     1
 ASSI {  559}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 47   and name HB  ))
      3.400     1.400     1.400 peak   559 spectrum    1 weight  0.10000E+01 volume  0.18528E-02 ppm1      8.633 ppm2      2.501 CV     1
 ASSI {  560}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 92   and name HB2 ))
      3.100     1.200     1.200 peak   560 spectrum    1 weight  0.10000E+01 volume  0.18472E-02 ppm1      8.734 ppm2      3.936 CV     1
 OR {  560}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 92   and name HB1 ))
 ASSI {  561}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 96   and name HB2 ))
      2.500     0.800     0.800 peak   561 spectrum    1 weight  0.10000E+01 volume  0.18418E-02 ppm1      7.548 ppm2      1.566 CV     1
 ASSI {  563}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 64   and name HA  ))
      3.900     1.900     1.900 peak   563 spectrum    1 weight  0.10000E+01 volume  0.18322E-02 ppm1      8.107 ppm2      4.573 CV     1
 ASSI {  564}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 39   and name HA  ))
      2.900     1.000     1.000 peak   564 spectrum    1 weight  0.10000E+01 volume  0.18293E-02 ppm1      7.892 ppm2      4.799 CV     1
 ASSI {  565}
   (( segid " 1SG" and resid 72   and name HN  ))
   (  segid " 1SG" and resid 72   and name HD% )
      2.800     1.000     1.000 peak   565 spectrum    1 weight  0.10000E+01 volume  0.18282E-02 ppm1      9.296 ppm2      7.306 CV     1
 ASSI {  566}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 14   and name HA1 ))
      3.100     1.200     1.200 peak   566 spectrum    1 weight  0.10000E+01 volume  0.18194E-02 ppm1      9.184 ppm2      3.743 CV     1
 ASSI {  567}
   (( segid " 1SG" and resid 77   and name HN  ))
   (( segid " 1SG" and resid 77   and name HA  ))
      2.800     1.000     1.000 peak   567 spectrum    1 weight  0.10000E+01 volume  0.18192E-02 ppm1      8.715 ppm2      4.655 CV     1
 ASSI {  570}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 87   and name HA  ))
      3.300     1.300     1.300 peak   570 spectrum    1 weight  0.10000E+01 volume  0.17910E-02 ppm1      8.211 ppm2      4.972 CV     1
 ASSI {  571}
   (( segid " 1SG" and resid 30   and name HN  ))
   (( segid " 1SG" and resid 30   and name HA2 ))
      3.200     1.300     1.300 peak   571 spectrum    1 weight  0.10000E+01 volume  0.17890E-02 ppm1      8.590 ppm2      4.673 CV     1
 ASSI {  573}
   (( segid " 1SG" and resid 108  and name HN  ))
   (  segid " 1SG" and resid 18   and name HG2%)
      3.500     1.600     1.600 peak   573 spectrum    1 weight  0.10000E+01 volume  0.17665E-02 ppm1      8.565 ppm2      0.943 CV     1
 ASSI {  574}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 13   and name HB2 ))
      2.800     1.000     1.000 peak   574 spectrum    1 weight  0.10000E+01 volume  0.17650E-02 ppm1      9.184 ppm2      2.684 CV     1
 ASSI {  575}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 75   and name HB2 ))
      3.100     1.200     1.200 peak   575 spectrum    1 weight  0.10000E+01 volume  0.17645E-02 ppm1      8.941 ppm2      2.888 CV     1
 OR {  575}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 75   and name HB1 ))
 ASSI {  576}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 77   and name HA  ))
      2.900     1.000     1.000 peak   576 spectrum    1 weight  0.10000E+01 volume  0.17552E-02 ppm1      8.887 ppm2      4.655 CV     1
 ASSI {  578}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 40   and name HA  ))
      2.900     1.100     1.100 peak   578 spectrum    1 weight  0.10000E+01 volume  0.17547E-02 ppm1      8.696 ppm2      4.547 CV     1
 ASSI {  579}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 65   and name HA  ))
      3.300     1.400     1.400 peak   579 spectrum    1 weight  0.10000E+01 volume  0.17527E-02 ppm1      8.106 ppm2      3.452 CV     1
 ASSI {  581}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 84   and name HA  ))
      3.000     1.200     1.200 peak   581 spectrum    1 weight  0.10000E+01 volume  0.17351E-02 ppm1      8.151 ppm2      4.228 CV     1
 OR {  581}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 84   and name HB  ))
 ASSI {  582}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 56   and name HN  ))
      2.900     1.000     1.000 peak   582 spectrum    1 weight  0.10000E+01 volume  0.17349E-02 ppm1      7.199 ppm2      8.391 CV     1
 ASSI {  584}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 96   and name HG2 ))
      4.000     2.000     2.000 peak   584 spectrum    1 weight  0.10000E+01 volume  0.17335E-02 ppm1      8.062 ppm2      1.318 CV     1
 OR {  584}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 96   and name HG1 ))
 ASSI {  585}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HB1 ))
      3.000     1.100     1.100 peak   585 spectrum    1 weight  0.10000E+01 volume  0.17311E-02 ppm1      8.888 ppm2      1.573 CV     1
 OR {  585}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HB2 ))
 ASSI {  586}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 27   and name HN  ))
      3.100     1.200     1.200 peak   586 spectrum    1 weight  0.10000E+01 volume  0.17293E-02 ppm1      7.890 ppm2      8.886 CV     1
 ASSI {  587}
   (( segid " 1SG" and resid 79   and name HN  ))
   (  segid " 1SG" and resid 76   and name HG2%)
      3.300     1.400     1.400 peak   587 spectrum    1 weight  0.10000E+01 volume  0.17242E-02 ppm1      8.974 ppm2      0.787 CV     1
 ASSI {  590}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 53   and name HA  ))
      3.700     1.700     1.700 peak   590 spectrum    1 weight  0.10000E+01 volume  0.17021E-02 ppm1      7.198 ppm2      4.042 CV     1
 ASSI {  592}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 94   and name HA  ))
      3.100     1.200     1.200 peak   592 spectrum    1 weight  0.10000E+01 volume  0.16992E-02 ppm1      7.971 ppm2      4.045 CV     1
 ASSI {  593}
   (( segid " 1SG" and resid 63   and name HN  ))
   (( segid " 1SG" and resid 63   and name HB2 ))
      3.600     1.700     1.700 peak   593 spectrum    1 weight  0.10000E+01 volume  0.16982E-02 ppm1      8.518 ppm2      2.529 CV     1
 ASSI {  595}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 76   and name HB  ))
      3.400     1.400     1.400 peak   595 spectrum    1 weight  0.10000E+01 volume  0.16868E-02 ppm1      8.888 ppm2      1.901 CV     1
 ASSI {  596}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 104  and name HA  ))
      3.000     1.100     1.100 peak   596 spectrum    1 weight  0.10000E+01 volume  0.16849E-02 ppm1      9.184 ppm2      5.418 CV     1
 ASSI {  597}
   (( segid " 1SG" and resid 18   and name HN  ))
   (( segid " 1SG" and resid 108  and name HA  ))
      3.300     1.300     1.300 peak   597 spectrum    1 weight  0.10000E+01 volume  0.16848E-02 ppm1      8.006 ppm2      4.146 CV     1
 ASSI {  599}
   (( segid " 1SG" and resid 80   and name HN  ))
   (( segid " 1SG" and resid 79   and name HA  ))
      2.900     1.100     1.100 peak   599 spectrum    1 weight  0.10000E+01 volume  0.16711E-02 ppm1      5.579 ppm2      3.659 CV     1
 ASSI {  601}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      4.000     2.000     2.000 peak   601 spectrum    1 weight  0.10000E+01 volume  0.16598E-02 ppm1      9.018 ppm2      1.461 CV     1
 ASSI {  603}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 38   and name HN  ))
      3.000     1.100     1.100 peak   603 spectrum    1 weight  0.10000E+01 volume  0.16511E-02 ppm1      8.735 ppm2      8.378 CV     1
 ASSI {  604}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 46   and name HN  ))
      2.500     0.800     0.800 peak   604 spectrum    1 weight  0.10000E+01 volume  0.16495E-02 ppm1      7.293 ppm2      8.221 CV     1
 ASSI {  608}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 78   and name HB2 ))
      3.300     1.300     1.300 peak   608 spectrum    1 weight  0.10000E+01 volume  0.16346E-02 ppm1      8.054 ppm2      2.374 CV     1
 ASSI {  611}
   (( segid " 1SG" and resid 23   and name HN  ))
   (  segid " 1SG" and resid 23   and name HG2%)
      3.900     1.900     1.900 peak   611 spectrum    1 weight  0.10000E+01 volume  0.16268E-02 ppm1      7.914 ppm2      0.771 CV     1
 ASSI {  612}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 28   and name HB  ))
      3.000     1.200     1.200 peak   612 spectrum    1 weight  0.10000E+01 volume  0.16196E-02 ppm1      9.674 ppm2      1.955 CV     1
 ASSI {  613}
   (( segid " 1SG" and resid 107  and name HN  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      3.600     1.700     1.700 peak   613 spectrum    1 weight  0.10000E+01 volume  0.16175E-02 ppm1      8.823 ppm2      0.606 CV     1
 ASSI {  614}
   (( segid " 1SG" and resid 17   and name HN  ))
   (( segid " 1SG" and resid 18   and name HN  ))
      3.800     1.800     1.800 peak   614 spectrum    1 weight  0.10000E+01 volume  0.16120E-02 ppm1      7.899 ppm2      7.995 CV     1
 ASSI {  619}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 2    and name HB2 ))
      4.200     2.200     1.800 peak   619 spectrum    1 weight  0.10000E+01 volume  0.15736E-02 ppm1      7.971 ppm2      2.674 CV     1
 ASSI {  620}
   (( segid " 1SG" and resid 107  and name HN  ))
   (  segid " 1SG" and resid 106  and name HG1%)
      4.000     2.000     2.000 peak   620 spectrum    1 weight  0.10000E+01 volume  0.15710E-02 ppm1      8.823 ppm2      0.675 CV     1
 ASSI {  622}
   (( segid " 1SG" and resid 61   and name HN  ))
   (( segid " 1SG" and resid 61   and name HB2 ))
      3.300     1.400     1.400 peak   622 spectrum    1 weight  0.10000E+01 volume  0.15606E-02 ppm1      8.177 ppm2      2.298 CV     1
 ASSI {  623}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 58   and name HG2 ))
      3.400     1.500     1.500 peak   623 spectrum    1 weight  0.10000E+01 volume  0.15601E-02 ppm1      8.941 ppm2      1.805 CV     1
 ASSI {  626}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 92   and name HA  ))
      3.100     1.200     1.200 peak   626 spectrum    1 weight  0.10000E+01 volume  0.15565E-02 ppm1      8.735 ppm2      5.242 CV     1
 ASSI {  630}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 16   and name HB  ))
      3.600     1.600     1.600 peak   630 spectrum    1 weight  0.10000E+01 volume  0.15408E-02 ppm1      8.594 ppm2      1.795 CV     1
 ASSI {  631}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 97   and name HA  ))
      3.100     1.200     1.200 peak   631 spectrum    1 weight  0.10000E+01 volume  0.15407E-02 ppm1      8.062 ppm2      5.253 CV     1
 ASSI {  632}
   (( segid " 1SG" and resid 58   and name HE22))
   (( segid " 1SG" and resid 76   and name HG12))
      4.000     2.000     2.000 peak   632 spectrum    1 weight  0.10000E+01 volume  0.15392E-02 ppm1      6.684 ppm2      1.101 CV     1
 ASSI {  635}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB2 ))
      3.100     1.200     1.200 peak   635 spectrum    1 weight  0.10000E+01 volume  0.15320E-02 ppm1      8.944 ppm2      2.395 CV     1
 OR {  635}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB1 ))
 ASSI {  636}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 25   and name HB2 ))
      3.300     1.400     1.400 peak   636 spectrum    1 weight  0.10000E+01 volume  0.15261E-02 ppm1      8.404 ppm2      3.599 CV     1
 ASSI {  637}
   (( segid " 1SG" and resid 7    and name HN  ))
   (  segid " 1SG" and resid 7    and name HD% )
      3.900     1.900     1.900 peak   637 spectrum    1 weight  0.10000E+01 volume  0.15217E-02 ppm1      8.878 ppm2      7.307 CV     1
 ASSI {  638}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 75   and name HA  ))
      3.100     1.200     1.200 peak   638 spectrum    1 weight  0.10000E+01 volume  0.15200E-02 ppm1      9.154 ppm2      5.086 CV     1
 ASSI {  642}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 35   and name HD1 ))
      3.300     1.400     1.400 peak   642 spectrum    1 weight  0.10000E+01 volume  0.15074E-02 ppm1      8.373 ppm2      1.622 CV     1
 OR {  642}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 35   and name HD2 ))
 ASSI {  643}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 75   and name HN  ))
      2.900     1.100     1.100 peak   643 spectrum    1 weight  0.10000E+01 volume  0.15062E-02 ppm1      8.939 ppm2      9.154 CV     1
 ASSI {  644}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 19   and name HN  ))
      3.200     1.300     1.300 peak   644 spectrum    1 weight  0.10000E+01 volume  0.14896E-02 ppm1      8.973 ppm2      9.828 CV     1
 ASSI {  645}
   (( segid " 1SG" and resid 59   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD2%)
      3.900     1.900     1.900 peak   645 spectrum    1 weight  0.10000E+01 volume  0.14866E-02 ppm1      8.381 ppm2      0.692 CV     1
 ASSI {  646}
   (( segid " 1SG" and resid 5    and name HN  ))
   (( segid " 1SG" and resid 4    and name HA  ))
      3.300     1.400     1.400 peak   646 spectrum    1 weight  0.10000E+01 volume  0.14835E-02 ppm1      8.144 ppm2      4.009 CV     1
 ASSI {  647}
   (( segid " 1SG" and resid 77   and name HN  ))
   (( segid " 1SG" and resid 57   and name HA  ))
      4.000     2.000     2.000 peak   647 spectrum    1 weight  0.10000E+01 volume  0.14823E-02 ppm1      8.715 ppm2      5.396 CV     1
 ASSI {  649}
   (( segid " 1SG" and resid 80   and name HE22))
   (( segid " 1SG" and resid 80   and name HB2 ))
      4.000     2.000     2.000 peak   649 spectrum    1 weight  0.10000E+01 volume  0.14764E-02 ppm1      6.645 ppm2      1.953 CV     1
 OR {  649}
   (( segid " 1SG" and resid 80   and name HE22))
   (( segid " 1SG" and resid 80   and name HB1 ))
 ASSI {  651}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 94   and name HB2 ))
      2.800     1.000     1.000 peak   651 spectrum    1 weight  0.10000E+01 volume  0.14656E-02 ppm1      7.971 ppm2      1.782 CV     1
 ASSI {  652}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 11   and name HA  ))
      3.300     1.400     1.400 peak   652 spectrum    1 weight  0.10000E+01 volume  0.14594E-02 ppm1      8.398 ppm2      4.795 CV     1
 ASSI {  653}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 64   and name HB2 ))
      3.600     1.600     1.600 peak   653 spectrum    1 weight  0.10000E+01 volume  0.14555E-02 ppm1      6.898 ppm2      2.337 CV     1
 ASSI {  654}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 59   and name HG  ))
      4.000     2.000     2.000 peak   654 spectrum    1 weight  0.10000E+01 volume  0.14538E-02 ppm1      8.699 ppm2      1.425 CV     1
 ASSI {  656}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 68   and name HA  ))
      4.600     2.600     1.400 peak   656 spectrum    1 weight  0.10000E+01 volume  0.14498E-02 ppm1      7.420 ppm2      3.594 CV     1
 ASSI {  658}
   (( segid " 1SG" and resid 26   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD1%)
      3.100     1.200     1.200 peak   658 spectrum    1 weight  0.10000E+01 volume  0.14488E-02 ppm1      9.497 ppm2      0.841 CV     1
 ASSI {  659}
   (( segid " 1SG" and resid 103  and name HD22))
   (( segid " 1SG" and resid 103  and name HB2 ))
      4.300     2.300     1.700 peak   659 spectrum    1 weight  0.10000E+01 volume  0.14466E-02 ppm1      6.747 ppm2      2.501 CV     1
 ASSI {  660}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 24   and name HB2 ))
      3.600     1.600     1.600 peak   660 spectrum    1 weight  0.10000E+01 volume  0.14459E-02 ppm1      8.399 ppm2      2.394 CV     1
 ASSI {  661}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 45   and name HD2 ))
      3.700     1.700     1.700 peak   661 spectrum    1 weight  0.10000E+01 volume  0.14428E-02 ppm1     10.113 ppm2      1.215 CV     1
 OR {  661}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 45   and name HD1 ))
 ASSI {  662}
   (( segid " 1SG" and resid 34   and name HN  ))
   (( segid " 1SG" and resid 93   and name HA  ))
      4.200     2.200     1.800 peak   662 spectrum    1 weight  0.10000E+01 volume  0.14385E-02 ppm1      8.673 ppm2      4.763 CV     1
 ASSI {  663}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 73   and name HN  ))
      3.200     1.200     1.200 peak   663 spectrum    1 weight  0.10000E+01 volume  0.14360E-02 ppm1      8.686 ppm2      9.449 CV     1
 ASSI {  664}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 61   and name HA  ))
      3.600     1.600     1.600 peak   664 spectrum    1 weight  0.10000E+01 volume  0.14354E-02 ppm1      9.450 ppm2      5.557 CV     1
 ASSI {  665}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 24   and name HA  ))
      3.100     1.200     1.200 peak   665 spectrum    1 weight  0.10000E+01 volume  0.14353E-02 ppm1      9.240 ppm2      4.615 CV     1
 ASSI {  666}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 27   and name HB2 ))
      3.400     1.400     1.400 peak   666 spectrum    1 weight  0.10000E+01 volume  0.14234E-02 ppm1      9.672 ppm2      1.578 CV     1
 OR {  666}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 27   and name HB1 ))
 ASSI {  667}
   (( segid " 1SG" and resid 104  and name HN  ))
   (  segid " 1SG" and resid 87   and name HD% )
      3.400     1.400     1.400 peak   667 spectrum    1 weight  0.10000E+01 volume  0.14221E-02 ppm1      8.792 ppm2      6.806 CV     1
 ASSI {  668}
   (( segid " 1SG" and resid 26   and name HN  ))
   (( segid " 1SG" and resid 25   and name HB2 ))
      3.700     1.700     1.700 peak   668 spectrum    1 weight  0.10000E+01 volume  0.14178E-02 ppm1      9.497 ppm2      3.598 CV     1
 ASSI {  669}
   (( segid " 1SG" and resid 58   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
      3.200     1.200     1.200 peak   669 spectrum    1 weight  0.10000E+01 volume  0.14175E-02 ppm1      8.941 ppm2      0.604 CV     1
 OR {  669}
   (( segid " 1SG" and resid 58   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI {  670}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 3    and name HD1 ))
      4.100     2.100     1.900 peak   670 spectrum    1 weight  0.10000E+01 volume  0.14096E-02 ppm1      8.118 ppm2      3.845 CV     1
 OR {  670}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 3    and name HD2 ))
 ASSI {  672}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 93   and name HA  ))
      3.500     1.500     1.500 peak   672 spectrum    1 weight  0.10000E+01 volume  0.14058E-02 ppm1      8.375 ppm2      4.772 CV     1
 ASSI {  673}
   (( segid " 1SG" and resid 25   and name HN  ))
   (  segid " 1SG" and resid 24   and name HD% )
      4.000     2.000     2.000 peak   673 spectrum    1 weight  0.10000E+01 volume  0.14041E-02 ppm1      8.400 ppm2      6.932 CV     1
 ASSI {  676}
   (( segid " 1SG" and resid 68   and name HN  ))
   (( segid " 1SG" and resid 67   and name HA  ))
      3.400     1.500     1.500 peak   676 spectrum    1 weight  0.10000E+01 volume  0.13977E-02 ppm1      7.874 ppm2      4.297 CV     1
 ASSI {  678}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 107  and name HD2 ))
      3.200     1.300     1.300 peak   678 spectrum    1 weight  0.10000E+01 volume  0.13955E-02 ppm1      8.821 ppm2      6.922 CV     1
 ASSI {  679}
   (( segid " 1SG" and resid 8    and name HN  ))
   (( segid " 1SG" and resid 8    and name HB  ))
      3.100     1.200     1.200 peak   679 spectrum    1 weight  0.10000E+01 volume  0.13922E-02 ppm1      9.052 ppm2      1.821 CV     1
 ASSI {  680}
   (( segid " 1SG" and resid 77   and name HN  ))
   (( segid " 1SG" and resid 77   and name HB  ))
      3.600     1.700     1.700 peak   680 spectrum    1 weight  0.10000E+01 volume  0.13913E-02 ppm1      8.717 ppm2      4.008 CV     1
 ASSI {  681}
   (( segid " 1SG" and resid 23   and name HN  ))
   (( segid " 1SG" and resid 23   and name HA  ))
      3.100     1.200     1.200 peak   681 spectrum    1 weight  0.10000E+01 volume  0.13891E-02 ppm1      7.913 ppm2      5.100 CV     1
 ASSI {  682}
   (( segid " 1SG" and resid 100  and name HN  ))
   (( segid " 1SG" and resid 90   and name HA  ))
      3.700     1.700     1.700 peak   682 spectrum    1 weight  0.10000E+01 volume  0.13878E-02 ppm1      8.897 ppm2      4.788 CV     1
 ASSI {  683}
   (( segid " 1SG" and resid 76   and name HN  ))
   (( segid " 1SG" and resid 75   and name HB1 ))
      4.000     2.000     2.000 peak   683 spectrum    1 weight  0.10000E+01 volume  0.13861E-02 ppm1      8.925 ppm2      2.891 CV     1
 OR {  683}
   (( segid " 1SG" and resid 76   and name HN  ))
   (( segid " 1SG" and resid 75   and name HB2 ))
 ASSI {  684}
   (( segid " 1SG" and resid 102  and name HN  ))
   (( segid " 1SG" and resid 102  and name HA  ))
      3.200     1.300     1.300 peak   684 spectrum    1 weight  0.10000E+01 volume  0.13849E-02 ppm1      8.557 ppm2      4.989 CV     1
 ASSI {  686}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 49   and name HB2 ))
      3.900     1.900     1.900 peak   686 spectrum    1 weight  0.10000E+01 volume  0.13832E-02 ppm1      7.786 ppm2      1.548 CV     1
 ASSI {  690}
   (( segid " 1SG" and resid 64   and name HN  ))
   (( segid " 1SG" and resid 69   and name HN  ))
      3.200     1.300     1.300 peak   690 spectrum    1 weight  0.10000E+01 volume  0.13723E-02 ppm1      7.751 ppm2      6.898 CV     1
 ASSI {  691}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 33   and name HA  ))
      4.200     2.200     1.800 peak   691 spectrum    1 weight  0.10000E+01 volume  0.13715E-02 ppm1      7.509 ppm2      4.450 CV     1
 ASSI {  694}
   (( segid " 1SG" and resid 74   and name HN  ))
   (  segid " 1SG" and resid 23   and name HG2%)
      3.400     1.400     1.400 peak   694 spectrum    1 weight  0.10000E+01 volume  0.13656E-02 ppm1      8.470 ppm2      0.765 CV     1
 ASSI {  696}
   (( segid " 1SG" and resid 68   and name HN  ))
   (( segid " 1SG" and resid 65   and name HA  ))
      3.100     1.200     1.200 peak   696 spectrum    1 weight  0.10000E+01 volume  0.13594E-02 ppm1      7.878 ppm2      3.451 CV     1
 ASSI {  698}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 45   and name HB2 ))
      3.200     1.300     1.300 peak   698 spectrum    1 weight  0.10000E+01 volume  0.13510E-02 ppm1     10.115 ppm2      0.595 CV     1
 ASSI {  699}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 38   and name HB  ))
      4.000     2.000     2.000 peak   699 spectrum    1 weight  0.10000E+01 volume  0.13476E-02 ppm1      7.893 ppm2      1.891 CV     1
 ASSI {  700}
   (( segid " 1SG" and resid 26   and name HN  ))
   (( segid " 1SG" and resid 26   and name HA  ))
      3.200     1.300     1.300 peak   700 spectrum    1 weight  0.10000E+01 volume  0.13446E-02 ppm1      9.494 ppm2      4.916 CV     1
 ASSI {  701}
   (( segid " 1SG" and resid 106  and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      4.100     2.100     1.900 peak   701 spectrum    1 weight  0.10000E+01 volume  0.13441E-02 ppm1      8.148 ppm2      0.372 CV     1
 ASSI {  702}
   (( segid " 1SG" and resid 50   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD1%)
      3.700     1.700     1.700 peak   702 spectrum    1 weight  0.10000E+01 volume  0.13439E-02 ppm1      8.941 ppm2      0.855 CV     1
 ASSI {  703}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 21   and name HA  ))
      2.900     1.000     1.000 peak   703 spectrum    1 weight  0.10000E+01 volume  0.13438E-02 ppm1      8.053 ppm2      5.494 CV     1
 ASSI {  704}
   (( segid " 1SG" and resid 38   and name HN  ))
   (  segid " 1SG" and resid 93   and name HG2%)
      4.400     2.400     1.600 peak   704 spectrum    1 weight  0.10000E+01 volume  0.13418E-02 ppm1      8.372 ppm2      1.022 CV     1
 ASSI {  706}
   (( segid " 1SG" and resid 87   and name HN  ))
   (( segid " 1SG" and resid 103  and name HA  ))
      3.200     1.300     1.300 peak   706 spectrum    1 weight  0.10000E+01 volume  0.13397E-02 ppm1      9.115 ppm2      5.535 CV     1
 ASSI {  707}
   (( segid " 1SG" and resid 33   and name HN  ))
   (( segid " 1SG" and resid 33   and name HB2 ))
      3.600     1.600     1.600 peak   707 spectrum    1 weight  0.10000E+01 volume  0.13372E-02 ppm1      7.611 ppm2      1.718 CV     1
 ASSI {  708}
   (( segid " 1SG" and resid 71   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD2%)
      4.300     2.300     1.700 peak   708 spectrum    1 weight  0.10000E+01 volume  0.13357E-02 ppm1      8.723 ppm2      0.733 CV     1
 ASSI {  709}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 27   and name HB1 ))
      3.200     1.200     1.200 peak   709 spectrum    1 weight  0.10000E+01 volume  0.13349E-02 ppm1      7.888 ppm2      1.570 CV     1
 OR {  709}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 27   and name HB2 ))
 ASSI {  710}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 72   and name HA  ))
      3.700     1.700     1.700 peak   710 spectrum    1 weight  0.10000E+01 volume  0.13316E-02 ppm1      8.849 ppm2      5.367 CV     1
 ASSI {  711}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 24   and name HB2 ))
      3.100     1.200     1.200 peak   711 spectrum    1 weight  0.10000E+01 volume  0.13302E-02 ppm1      9.240 ppm2      2.394 CV     1
 ASSI {  712}
   (( segid " 1SG" and resid 19   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      4.100     2.100     1.900 peak   712 spectrum    1 weight  0.10000E+01 volume  0.13282E-02 ppm1      9.827 ppm2      0.372 CV     1
 ASSI {  713}
   (( segid " 1SG" and resid 72   and name HN  ))
   (( segid " 1SG" and resid 72   and name HB2 ))
      2.800     1.000     1.000 peak   713 spectrum    1 weight  0.10000E+01 volume  0.13269E-02 ppm1      9.295 ppm2      2.892 CV     1
 ASSI {  715}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 49   and name HA  ))
      3.300     1.400     1.400 peak   715 spectrum    1 weight  0.10000E+01 volume  0.13263E-02 ppm1      8.940 ppm2      3.867 CV     1
 ASSI {  716}
   (( segid " 1SG" and resid 42   and name HN  ))
   (  segid " 1SG" and resid 42   and name HD% )
      4.000     2.000     2.000 peak   716 spectrum    1 weight  0.10000E+01 volume  0.13259E-02 ppm1      9.448 ppm2      6.695 CV     1
 ASSI {  718}
   (( segid " 1SG" and resid 85   and name HN  ))
   (( segid " 1SG" and resid 104  and name HN  ))
      3.200     1.300     1.300 peak   718 spectrum    1 weight  0.10000E+01 volume  0.13225E-02 ppm1      9.408 ppm2      8.792 CV     1
 ASSI {  720}
   (( segid " 1SG" and resid 54   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
      3.700     1.700     1.700 peak   720 spectrum    1 weight  0.10000E+01 volume  0.13140E-02 ppm1      9.023 ppm2      0.598 CV     1
 OR {  720}
   (( segid " 1SG" and resid 54   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI {  725}
   (( segid " 1SG" and resid 74   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD2%)
      3.300     1.400     1.400 peak   725 spectrum    1 weight  0.10000E+01 volume  0.13100E-02 ppm1      8.471 ppm2      0.409 CV     1
 OR {  725}
   (( segid " 1SG" and resid 74   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI {  728}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (  segid " 1SG" and resid 72   and name HD% )
      3.300     1.300     1.300 peak   728 spectrum    1 weight  0.10000E+01 volume  0.12972E-02 ppm1     10.780 ppm2      7.306 CV     1
 ASSI {  729}
   (( segid " 1SG" and resid 44   and name HN  ))
   (  segid " 1SG" and resid 47   and name HG1%)
      4.400     2.400     1.600 peak   729 spectrum    1 weight  0.10000E+01 volume  0.12929E-02 ppm1      8.212 ppm2      0.992 CV     1
 ASSI {  730}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 107  and name HN  ))
      3.800     1.800     1.800 peak   730 spectrum    1 weight  0.10000E+01 volume  0.12892E-02 ppm1      8.563 ppm2      8.822 CV     1
 ASSI {  731}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (  segid " 1SG" and resid 59   and name HD1%)
      3.800     1.800     1.800 peak   731 spectrum    1 weight  0.10000E+01 volume  0.12885E-02 ppm1     10.780 ppm2      0.855 CV     1
 ASSI {  732}
   (( segid " 1SG" and resid 6    and name HN  ))
   (( segid " 1SG" and resid 7    and name HN  ))
      3.000     1.200     1.200 peak   732 spectrum    1 weight  0.10000E+01 volume  0.12867E-02 ppm1      8.450 ppm2      8.878 CV     1
 ASSI {  733}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 103  and name HB2 ))
      3.700     1.700     1.700 peak   733 spectrum    1 weight  0.10000E+01 volume  0.12856E-02 ppm1      8.794 ppm2      2.502 CV     1
 ASSI {  734}
   (( segid " 1SG" and resid 49   and name HN  ))
   (  segid " 1SG" and resid 49   and name HD2%)
      4.300     2.300     1.700 peak   734 spectrum    1 weight  0.10000E+01 volume  0.12774E-02 ppm1      9.288 ppm2      1.014 CV     1
 ASSI {  735}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (( segid " 1SG" and resid 72   and name HB2 ))
      3.400     1.500     1.500 peak   735 spectrum    1 weight  0.10000E+01 volume  0.12767E-02 ppm1     10.779 ppm2      2.895 CV     1
 ASSI {  736}
   (( segid " 1SG" and resid 19   and name HN  ))
   (( segid " 1SG" and resid 18   and name HB  ))
      4.000     2.000     2.000 peak   736 spectrum    1 weight  0.10000E+01 volume  0.12750E-02 ppm1      9.827 ppm2      1.919 CV     1
 ASSI {  737}
   (( segid " 1SG" and resid 63   and name HN  ))
   (  segid " 1SG" and resid 63   and name HD% )
      4.000     2.000     2.000 peak   737 spectrum    1 weight  0.10000E+01 volume  0.12696E-02 ppm1      8.518 ppm2      5.900 CV     1
 ASSI {  742}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 15   and name HG2 ))
      4.400     2.400     1.600 peak   742 spectrum    1 weight  0.10000E+01 volume  0.12594E-02 ppm1      8.593 ppm2      2.271 CV     1
 OR {  742}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 15   and name HG1 ))
 ASSI {  745}
   (( segid " 1SG" and resid 53   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
      3.000     1.100     1.100 peak   745 spectrum    1 weight  0.10000E+01 volume  0.12472E-02 ppm1      6.764 ppm2      0.597 CV     1
 OR {  745}
   (( segid " 1SG" and resid 53   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI {  746}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 3    and name HB1 ))
      4.200     2.200     1.800 peak   746 spectrum    1 weight  0.10000E+01 volume  0.12466E-02 ppm1      8.263 ppm2      2.285 CV     1
 OR {  746}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 3    and name HB2 ))
 ASSI {  747}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 49   and name HA  ))
      3.100     1.200     1.200 peak   747 spectrum    1 weight  0.10000E+01 volume  0.12457E-02 ppm1      7.785 ppm2      3.862 CV     1
 ASSI {  748}
   (( segid " 1SG" and resid 73   and name HN  ))
   (  segid " 1SG" and resid 72   and name HD% )
      4.100     2.100     1.900 peak   748 spectrum    1 weight  0.10000E+01 volume  0.12456E-02 ppm1      9.449 ppm2      7.306 CV     1
 ASSI {  751}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 18   and name HN  ))
      3.600     1.700     1.700 peak   751 spectrum    1 weight  0.10000E+01 volume  0.12413E-02 ppm1      8.821 ppm2      8.005 CV     1
 ASSI {  753}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 25   and name HA  ))
      3.200     1.200     1.200 peak   753 spectrum    1 weight  0.10000E+01 volume  0.12368E-02 ppm1      8.399 ppm2      5.688 CV     1
 ASSI {  754}
   (( segid " 1SG" and resid 31   and name HN  ))
   (( segid " 1SG" and resid 31   and name HA  ))
      3.100     1.200     1.200 peak   754 spectrum    1 weight  0.10000E+01 volume  0.12364E-02 ppm1      8.418 ppm2      4.164 CV     1
 ASSI {  755}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 22   and name HB  ))
      3.200     1.300     1.300 peak   755 spectrum    1 weight  0.10000E+01 volume  0.12353E-02 ppm1      8.887 ppm2      1.514 CV     1
 ASSI {  758}
   (( segid " 1SG" and resid 57   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
      3.900     1.900     1.900 peak   758 spectrum    1 weight  0.10000E+01 volume  0.12321E-02 ppm1      7.199 ppm2      0.601 CV     1
 OR {  758}
   (( segid " 1SG" and resid 57   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI {  759}
   (( segid " 1SG" and resid 83   and name HN  ))
   (  segid " 1SG" and resid 104  and name HD2%)
      4.100     2.100     1.900 peak   759 spectrum    1 weight  0.10000E+01 volume  0.12290E-02 ppm1      8.256 ppm2      0.808 CV     1
 ASSI {  760}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 9    and name HB2 ))
      3.800     1.800     1.800 peak   760 spectrum    1 weight  0.10000E+01 volume  0.12259E-02 ppm1      8.888 ppm2      1.892 CV     1
 ASSI {  762}
   (( segid " 1SG" and resid 68   and name HN  ))
   (  segid " 1SG" and resid 66   and name HB% )
      2.600     2.600     3.400 peak   762 spectrum    1 weight  0.10000E+01 volume  0.12177E-02 ppm1      7.875 ppm2      1.403 CV     1
 ASSI {  764}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 74   and name HB2 ))
      2.800     1.000     1.000 peak   764 spectrum    1 weight  0.10000E+01 volume  0.12142E-02 ppm1      8.470 ppm2     -0.840 CV     1
 ASSI {  765}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 8    and name HA  ))
      3.500     1.600     1.600 peak   765 spectrum    1 weight  0.10000E+01 volume  0.12141E-02 ppm1      7.888 ppm2      4.174 CV     1
 ASSI {  767}
   (( segid " 1SG" and resid 91   and name HN  ))
   (( segid " 1SG" and resid 91   and name HB  ))
      3.300     1.400     1.400 peak   767 spectrum    1 weight  0.10000E+01 volume  0.12074E-02 ppm1      8.474 ppm2      1.131 CV     1
 ASSI {  770}
   (( segid " 1SG" and resid 102  and name HN  ))
   (( segid " 1SG" and resid 88   and name HA  ))
      3.500     1.500     1.500 peak   770 spectrum    1 weight  0.10000E+01 volume  0.11993E-02 ppm1      8.557 ppm2      5.305 CV     1
 ASSI {  771}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 57   and name HG  ))
      4.300     2.300     1.700 peak   771 spectrum    1 weight  0.10000E+01 volume  0.11987E-02 ppm1      7.198 ppm2      0.750 CV     1
 ASSI {  772}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 73   and name HA  ))
      3.100     1.200     1.200 peak   772 spectrum    1 weight  0.10000E+01 volume  0.11985E-02 ppm1      9.448 ppm2      5.466 CV     1
 ASSI {  773}
   (( segid " 1SG" and resid 6    and name HN  ))
   (( segid " 1SG" and resid 6    and name HA  ))
      3.000     1.100     1.100 peak   773 spectrum    1 weight  0.10000E+01 volume  0.11970E-02 ppm1      8.450 ppm2      4.448 CV     1
 ASSI {  774}
   (( segid " 1SG" and resid 12   and name HE21))
   (( segid " 1SG" and resid 12   and name HA  ))
      3.100     1.200     1.200 peak   774 spectrum    1 weight  0.10000E+01 volume  0.11969E-02 ppm1      7.451 ppm2      4.687 CV     1
 ASSI {  775}
   (( segid " 1SG" and resid 10   and name HN  ))
   (( segid " 1SG" and resid 10   and name HB2 ))
      3.300     1.400     1.400 peak   775 spectrum    1 weight  0.10000E+01 volume  0.11953E-02 ppm1      8.853 ppm2      1.250 CV     1
 ASSI {  776}
   (( segid " 1SG" and resid 102  and name HN  ))
   (( segid " 1SG" and resid 87   and name HN  ))
      3.200     1.200     1.200 peak   776 spectrum    1 weight  0.10000E+01 volume  0.11938E-02 ppm1      8.557 ppm2      9.117 CV     1
 ASSI {  777}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 94   and name HG2 ))
      3.200     1.300     1.300 peak   777 spectrum    1 weight  0.10000E+01 volume  0.11924E-02 ppm1      7.971 ppm2      1.402 CV     1
 OR {  777}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 94   and name HG1 ))
 ASSI {  778}
   (( segid " 1SG" and resid 75   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
      3.400     1.400     1.400 peak   778 spectrum    1 weight  0.10000E+01 volume  0.11905E-02 ppm1      9.152 ppm2      0.609 CV     1
 OR {  778}
   (( segid " 1SG" and resid 75   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI {  779}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 49   and name HA  ))
      3.000     1.200     1.200 peak   779 spectrum    1 weight  0.10000E+01 volume  0.11882E-02 ppm1      9.288 ppm2      3.859 CV     1
 ASSI {  782}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 76   and name HG12))
      4.000     2.000     2.000 peak   782 spectrum    1 weight  0.10000E+01 volume  0.11857E-02 ppm1      7.440 ppm2      1.105 CV     1
 ASSI {  783}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 56   and name HB2 ))
      3.600     1.600     1.600 peak   783 spectrum    1 weight  0.10000E+01 volume  0.11856E-02 ppm1      7.198 ppm2      3.101 CV     1
 ASSI {  790}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 104  and name HA  ))
      3.200     1.300     1.300 peak   790 spectrum    1 weight  0.10000E+01 volume  0.11729E-02 ppm1      8.792 ppm2      5.431 CV     1
 ASSI {  791}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 53   and name HN  ))
      3.800     1.800     1.800 peak   791 spectrum    1 weight  0.10000E+01 volume  0.11720E-02 ppm1      9.018 ppm2      6.764 CV     1
 ASSI {  792}
   (( segid " 1SG" and resid 104  and name HN  ))
   (  segid " 1SG" and resid 87   and name HE% )
      3.500     1.600     1.600 peak   792 spectrum    1 weight  0.10000E+01 volume  0.11709E-02 ppm1      8.791 ppm2      6.590 CV     1
 ASSI {  794}
   (( segid " 1SG" and resid 84   and name HN  ))
   (( segid " 1SG" and resid 85   and name HN  ))
      3.600     1.600     1.600 peak   794 spectrum    1 weight  0.10000E+01 volume  0.11681E-02 ppm1      7.865 ppm2      9.407 CV     1
 ASSI {  799}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (  segid " 1SG" and resid 39   and name HG2%)
      3.700     1.700     1.700 peak   799 spectrum    1 weight  0.10000E+01 volume  0.11570E-02 ppm1     10.779 ppm2     -0.462 CV     1
 ASSI {  802}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 103  and name HA  ))
      3.200     1.300     1.300 peak   802 spectrum    1 weight  0.10000E+01 volume  0.11503E-02 ppm1      9.242 ppm2      5.536 CV     1
 ASSI {  803}
   (( segid " 1SG" and resid 8    and name HN  ))
   (( segid " 1SG" and resid 8    and name HA  ))
      3.300     1.400     1.400 peak   803 spectrum    1 weight  0.10000E+01 volume  0.11445E-02 ppm1      9.052 ppm2      4.174 CV     1
 ASSI {  805}
   (( segid " 1SG" and resid 30   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG2%)
      4.300     2.300     1.700 peak   805 spectrum    1 weight  0.10000E+01 volume  0.11417E-02 ppm1      8.593 ppm2      0.934 CV     1
 OR {  805}
   (( segid " 1SG" and resid 30   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG1%)
 ASSI {  807}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 57   and name HG  ))
      4.200     2.200     1.800 peak   807 spectrum    1 weight  0.10000E+01 volume  0.11345E-02 ppm1      8.941 ppm2      0.750 CV     1
 ASSI {  808}
   (( segid " 1SG" and resid 80   and name HE22))
   (  segid " 1SG" and resid 18   and name HG1%)
      5.400     3.700     0.600 peak   808 spectrum    1 weight  0.10000E+01 volume  0.11339E-02 ppm1      6.644 ppm2      0.986 CV     1
 ASSI {  810}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 59   and name HA  ))
      3.800     1.800     1.800 peak   810 spectrum    1 weight  0.10000E+01 volume  0.11284E-02 ppm1      9.150 ppm2      5.181 CV     1
 ASSI {  811}
   (( segid " 1SG" and resid 93   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.300     1.400     1.400 peak   811 spectrum    1 weight  0.10000E+01 volume  0.11272E-02 ppm1      8.558 ppm2      0.475 CV     1
 ASSI {  812}
   (( segid " 1SG" and resid 19   and name HN  ))
   (( segid " 1SG" and resid 78   and name HA  ))
      3.200     1.300     1.300 peak   812 spectrum    1 weight  0.10000E+01 volume  0.11265E-02 ppm1      9.829 ppm2      4.106 CV     1
 ASSI {  813}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 38   and name HB  ))
      3.400     1.500     1.500 peak   813 spectrum    1 weight  0.10000E+01 volume  0.11251E-02 ppm1      8.735 ppm2      1.891 CV     1
 ASSI {  814}
   (( segid " 1SG" and resid 43   and name HN  ))
   (  segid " 1SG" and resid 49   and name HD1%)
      3.400     1.500     1.500 peak   814 spectrum    1 weight  0.10000E+01 volume  0.11249E-02 ppm1      8.631 ppm2      1.759 CV     1
 ASSI {  815}
   (( segid " 1SG" and resid 6    and name HN  ))
   (( segid " 1SG" and resid 5    and name HA1 ))
      3.300     1.400     1.400 peak   815 spectrum    1 weight  0.10000E+01 volume  0.11238E-02 ppm1      8.450 ppm2      3.861 CV     1
 OR {  815}
   (( segid " 1SG" and resid 6    and name HN  ))
   (( segid " 1SG" and resid 5    and name HA2 ))
 ASSI {  816}
   (( segid " 1SG" and resid 26   and name HN  ))
   (( segid " 1SG" and resid 72   and name HN  ))
      3.300     1.300     1.300 peak   816 spectrum    1 weight  0.10000E+01 volume  0.11222E-02 ppm1      9.497 ppm2      9.294 CV     1
 ASSI {  817}
   (( segid " 1SG" and resid 46   and name HN  ))
   (( segid " 1SG" and resid 45   and name HA  ))
      3.200     1.300     1.300 peak   817 spectrum    1 weight  0.10000E+01 volume  0.11220E-02 ppm1      8.215 ppm2      3.494 CV     1
 ASSI {  819}
   (( segid " 1SG" and resid 47   and name HN  ))
   (  segid " 1SG" and resid 42   and name HD% )
      3.500     1.500     1.500 peak   819 spectrum    1 weight  0.10000E+01 volume  0.11200E-02 ppm1      7.293 ppm2      6.695 CV     1
 ASSI {  820}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 49   and name HB2 ))
      2.900     1.000     1.000 peak   820 spectrum    1 weight  0.10000E+01 volume  0.11176E-02 ppm1      9.288 ppm2      1.557 CV     1
 ASSI {  822}
   (( segid " 1SG" and resid 29   and name HN  ))
   (( segid " 1SG" and resid 7    and name HA  ))
      3.900     1.900     1.900 peak   822 spectrum    1 weight  0.10000E+01 volume  0.11095E-02 ppm1      8.855 ppm2      4.626 CV     1
 ASSI {  823}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 74   and name HN  ))
      3.500     1.500     1.500 peak   823 spectrum    1 weight  0.10000E+01 volume  0.11093E-02 ppm1      9.240 ppm2      8.469 CV     1
 ASSI {  825}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 40   and name HG2 ))
      4.600     2.600     1.400 peak   825 spectrum    1 weight  0.10000E+01 volume  0.11081E-02 ppm1      9.308 ppm2      1.241 CV     1
 OR {  825}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 40   and name HG1 ))
 ASSI {  828}
   (( segid " 1SG" and resid 58   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD1%)
      4.200     2.200     1.800 peak   828 spectrum    1 weight  0.10000E+01 volume  0.11047E-02 ppm1      8.945 ppm2      0.402 CV     1
 OR {  828}
   (( segid " 1SG" and resid 58   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD2%)
 ASSI {  829}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 42   and name HA  ))
      3.400     1.400     1.400 peak   829 spectrum    1 weight  0.10000E+01 volume  0.11037E-02 ppm1      9.289 ppm2      5.784 CV     1
 ASSI {  830}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 78   and name HB2 ))
      4.400     2.400     1.600 peak   830 spectrum    1 weight  0.10000E+01 volume  0.11007E-02 ppm1      8.973 ppm2      2.375 CV     1
 ASSI {  831}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB1 ))
      4.300     2.300     1.700 peak   831 spectrum    1 weight  0.10000E+01 volume  0.11006E-02 ppm1      8.941 ppm2      1.687 CV     1
 OR {  831}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB2 ))
 ASSI {  832}
   (( segid " 1SG" and resid 70   and name HN  ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      3.100     1.200     1.200 peak   832 spectrum    1 weight  0.10000E+01 volume  0.10998E-02 ppm1      9.273 ppm2      2.816 CV     1
 ASSI {  833}
   (( segid " 1SG" and resid 87   and name HN  ))
   (( segid " 1SG" and resid 87   and name HB2 ))
      3.200     1.300     1.300 peak   833 spectrum    1 weight  0.10000E+01 volume  0.10970E-02 ppm1      9.112 ppm2      0.700 CV     1
 ASSI {  838}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 64   and name HB2 ))
      4.200     2.200     1.800 peak   838 spectrum    1 weight  0.10000E+01 volume  0.10913E-02 ppm1      8.307 ppm2      2.338 CV     1
 ASSI {  839}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 90   and name HN  ))
      3.300     1.300     1.300 peak   839 spectrum    1 weight  0.10000E+01 volume  0.10901E-02 ppm1      8.694 ppm2      9.477 CV     1
 ASSI {  840}
   (( segid " 1SG" and resid 92   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG2%)
      4.200     2.200     1.800 peak   840 spectrum    1 weight  0.10000E+01 volume  0.10891E-02 ppm1      8.735 ppm2     -0.459 CV     1
 ASSI {  841}
   (( segid " 1SG" and resid 68   and name HN  ))
   (( segid " 1SG" and resid 66   and name HN  ))
      4.300     2.300     1.700 peak   841 spectrum    1 weight  0.10000E+01 volume  0.10854E-02 ppm1      7.875 ppm2      8.104 CV     1
 ASSI {  843}
   (( segid " 1SG" and resid 7    and name HN  ))
   (( segid " 1SG" and resid 7    and name HB2 ))
      3.100     1.200     1.200 peak   843 spectrum    1 weight  0.10000E+01 volume  0.10847E-02 ppm1      8.878 ppm2      2.581 CV     1
 ASSI {  844}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 69   and name HN  ))
      3.900     1.900     1.900 peak   844 spectrum    1 weight  0.10000E+01 volume  0.10834E-02 ppm1      7.422 ppm2      6.897 CV     1
 ASSI {  847}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 4    and name HN  ))
      3.700     1.700     1.700 peak   847 spectrum    1 weight  0.10000E+01 volume  0.10787E-02 ppm1      8.112 ppm2      8.269 CV     1
 ASSI {  848}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 39   and name HB  ))
      3.800     1.800     1.800 peak   848 spectrum    1 weight  0.10000E+01 volume  0.10758E-02 ppm1      8.696 ppm2      0.582 CV     1
 ASSI {  852}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 71   and name HA  ))
      3.200     1.200     1.200 peak   852 spectrum    1 weight  0.10000E+01 volume  0.10665E-02 ppm1      8.722 ppm2      5.068 CV     1
 ASSI {  853}
   (( segid " 1SG" and resid 31   and name HN  ))
   (( segid " 1SG" and resid 30   and name HN  ))
      3.300     1.300     1.300 peak   853 spectrum    1 weight  0.10000E+01 volume  0.10661E-02 ppm1      8.414 ppm2      8.590 CV     1
 ASSI {  854}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 80   and name HN  ))
      4.000     2.000     2.000 peak   854 spectrum    1 weight  0.10000E+01 volume  0.10654E-02 ppm1      8.971 ppm2      5.576 CV     1
 ASSI {  859}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 41   and name HA  ))
      3.200     1.300     1.300 peak   859 spectrum    1 weight  0.10000E+01 volume  0.10571E-02 ppm1      9.309 ppm2      5.470 CV     1
 ASSI {  860}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 73   and name HB2 ))
      3.400     1.400     1.400 peak   860 spectrum    1 weight  0.10000E+01 volume  0.10547E-02 ppm1      9.449 ppm2      1.556 CV     1
 ASSI {  861}
   (( segid " 1SG" and resid 20   and name HN  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      2.700     2.700     3.300 peak   861 spectrum    1 weight  0.10000E+01 volume  0.10536E-02 ppm1      8.825 ppm2      1.280 CV     1
 ASSI {  863}
   (( segid " 1SG" and resid 16   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      4.100     2.100     1.900 peak   863 spectrum    1 weight  0.10000E+01 volume  0.10517E-02 ppm1      8.593 ppm2      0.375 CV     1
 ASSI {  864}
   (( segid " 1SG" and resid 26   and name HN  ))
   (( segid " 1SG" and resid 73   and name HA  ))
      3.500     1.500     1.500 peak   864 spectrum    1 weight  0.10000E+01 volume  0.10494E-02 ppm1      9.497 ppm2      5.471 CV     1
 ASSI {  865}
   (( segid " 1SG" and resid 46   and name HN  ))
   (  segid " 1SG" and resid 47   and name HG1%)
      4.900     3.000     1.100 peak   865 spectrum    1 weight  0.10000E+01 volume  0.10490E-02 ppm1      8.216 ppm2      0.967 CV     1
 ASSI {  866}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 46   and name HA  ))
      3.500     1.600     1.600 peak   866 spectrum    1 weight  0.10000E+01 volume  0.10475E-02 ppm1      7.291 ppm2      4.989 CV     1
 ASSI {  872}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 52   and name HB2 ))
      2.900     1.000     1.000 peak   872 spectrum    1 weight  0.10000E+01 volume  0.10416E-02 ppm1      6.764 ppm2      1.716 CV     1
 ASSI {  873}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 76   and name HG12))
      4.200     2.200     1.800 peak   873 spectrum    1 weight  0.10000E+01 volume  0.10407E-02 ppm1      7.198 ppm2      1.092 CV     1
 ASSI {  874}
   (( segid " 1SG" and resid 71   and name HN  ))
   (  segid " 1SG" and resid 63   and name HD% )
      2.700     2.700     3.300 peak   874 spectrum    1 weight  0.10000E+01 volume  0.10381E-02 ppm1      8.724 ppm2      5.900 CV     1
 ASSI {  875}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 104  and name HB2 ))
      3.800     1.800     1.800 peak   875 spectrum    1 weight  0.10000E+01 volume  0.10375E-02 ppm1      8.793 ppm2      1.229 CV     1
 ASSI {  877}
   (( segid " 1SG" and resid 24   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD2%)
      4.400     2.400     1.600 peak   877 spectrum    1 weight  0.10000E+01 volume  0.10349E-02 ppm1      9.239 ppm2      0.410 CV     1
 OR {  877}
   (( segid " 1SG" and resid 24   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI {  879}
   (( segid " 1SG" and resid 96   and name HN  ))
   (  segid " 1SG" and resid 93   and name HG2%)
      2.700     2.700     3.300 peak   879 spectrum    1 weight  0.10000E+01 volume  0.10320E-02 ppm1      7.548 ppm2      1.025 CV     1
 ASSI {  880}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 78   and name HA  ))
      3.500     1.500     1.500 peak   880 spectrum    1 weight  0.10000E+01 volume  0.10311E-02 ppm1      8.826 ppm2      4.088 CV     1
 ASSI {  881}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 41   and name HB2 ))
      3.000     1.100     1.100 peak   881 spectrum    1 weight  0.10000E+01 volume  0.10303E-02 ppm1      9.312 ppm2      3.155 CV     1
 ASSI {  885}
   (( segid " 1SG" and resid 86   and name HN  ))
   (( segid " 1SG" and resid 87   and name HN  ))
      3.500     1.600     1.600 peak   885 spectrum    1 weight  0.10000E+01 volume  0.10243E-02 ppm1      7.947 ppm2      9.112 CV     1
 ASSI {  888}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 105  and name HA  ))
      3.300     1.300     1.300 peak   888 spectrum    1 weight  0.10000E+01 volume  0.10219E-02 ppm1      8.397 ppm2      4.536 CV     1
 ASSI {  889}
   (( segid " 1SG" and resid 58   and name HE22))
   (  segid " 1SG" and resid 77   and name HG2%)
      3.500     1.500     1.500 peak   889 spectrum    1 weight  0.10000E+01 volume  0.10188E-02 ppm1      6.684 ppm2      1.034 CV     1
 ASSI {  890}
   (( segid " 1SG" and resid 58   and name HN  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      4.200     2.200     1.800 peak   890 spectrum    1 weight  0.10000E+01 volume  0.10180E-02 ppm1      8.939 ppm2      1.056 CV     1
 ASSI {  891}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 38   and name HN  ))
      3.900     1.900     1.900 peak   891 spectrum    1 weight  0.10000E+01 volume  0.10168E-02 ppm1      7.893 ppm2      8.374 CV     1
 ASSI {  892}
   (( segid " 1SG" and resid 14   and name HN  ))
   (  segid " 1SG" and resid 22   and name HD1%)
      3.900     1.900     1.900 peak   892 spectrum    1 weight  0.10000E+01 volume  0.10164E-02 ppm1      9.186 ppm2      0.528 CV     1
 ASSI {  894}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 28   and name HA  ))
      3.300     1.300     1.300 peak   894 spectrum    1 weight  0.10000E+01 volume  0.10138E-02 ppm1      9.673 ppm2      4.901 CV     1
 ASSI {  896}
   (( segid " 1SG" and resid 98   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.700     1.700     1.700 peak   896 spectrum    1 weight  0.10000E+01 volume  0.10134E-02 ppm1      8.417 ppm2      0.476 CV     1
 ASSI {  897}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 45   and name HA  ))
      4.300     2.300     1.700 peak   897 spectrum    1 weight  0.10000E+01 volume  0.10130E-02 ppm1      7.291 ppm2      3.498 CV     1
 ASSI {  899}
   (( segid " 1SG" and resid 80   and name HE21))
   (  segid " 1SG" and resid 18   and name HG1%)
      4.900     3.000     1.100 peak   899 spectrum    1 weight  0.10000E+01 volume  0.10119E-02 ppm1      6.984 ppm2      0.990 CV     1
 ASSI {  900}
   (( segid " 1SG" and resid 85   and name HN  ))
   (  segid " 1SG" and resid 87   and name HE% )
      3.700     1.800     1.800 peak   900 spectrum    1 weight  0.10000E+01 volume  0.10114E-02 ppm1      9.408 ppm2      6.590 CV     1
 ASSI {  902}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 14   and name HN  ))
      4.000     2.000     2.000 peak   902 spectrum    1 weight  0.10000E+01 volume  0.10104E-02 ppm1      8.503 ppm2      9.185 CV     1
 ASSI {  905}
   (( segid " 1SG" and resid 8    and name HN  ))
   (( segid " 1SG" and resid 28   and name HA  ))
      3.300     1.400     1.400 peak   905 spectrum    1 weight  0.10000E+01 volume  0.10073E-02 ppm1      9.051 ppm2      4.900 CV     1
 ASSI {  906}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 61   and name HN  ))
      4.000     2.000     2.000 peak   906 spectrum    1 weight  0.10000E+01 volume  0.10061E-02 ppm1      8.846 ppm2      8.182 CV     1
 ASSI {  911}
   (( segid " 1SG" and resid 7    and name HN  ))
   (( segid " 1SG" and resid 7    and name HA  ))
      3.400     1.500     1.500 peak   911 spectrum    1 weight  0.10000E+01 volume  0.99875E-03 ppm1      8.874 ppm2      4.632 CV     1
 ASSI {  913}
   (( segid " 1SG" and resid 100  and name HN  ))
   (( segid " 1SG" and resid 90   and name HB2 ))
      2.700     2.700     3.300 peak   913 spectrum    1 weight  0.10000E+01 volume  0.99576E-03 ppm1      8.888 ppm2      2.040 CV     1
 ASSI {  914}
   (( segid " 1SG" and resid 100  and name HN  ))
   (( segid " 1SG" and resid 99   and name HB2 ))
      3.500     1.500     1.500 peak   914 spectrum    1 weight  0.10000E+01 volume  0.99332E-03 ppm1      8.896 ppm2      2.735 CV     1
 ASSI {  915}
   (( segid " 1SG" and resid 68   and name HN  ))
   (( segid " 1SG" and resid 67   and name HB1 ))
      3.900     1.900     1.900 peak   915 spectrum    1 weight  0.10000E+01 volume  0.99072E-03 ppm1      7.872 ppm2      3.727 CV     1
 OR {  915}
   (( segid " 1SG" and resid 68   and name HN  ))
   (( segid " 1SG" and resid 67   and name HB2 ))
 ASSI {  916}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 36   and name HD2 ))
      4.300     2.300     1.700 peak   916 spectrum    1 weight  0.10000E+01 volume  0.98913E-03 ppm1      7.511 ppm2      3.495 CV     1
 ASSI {  919}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 103  and name HD22))
      3.900     1.900     1.900 peak   919 spectrum    1 weight  0.10000E+01 volume  0.98574E-03 ppm1      9.241 ppm2      6.759 CV     1
 ASSI {  920}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 16   and name HN  ))
      3.900     1.900     1.900 peak   920 spectrum    1 weight  0.10000E+01 volume  0.98554E-03 ppm1      8.401 ppm2      8.591 CV     1
 ASSI {  922}
   (( segid " 1SG" and resid 84   and name HN  ))
   (( segid " 1SG" and resid 106  and name HB  ))
      4.200     2.200     1.800 peak   922 spectrum    1 weight  0.10000E+01 volume  0.98315E-03 ppm1      7.867 ppm2      1.848 CV     1
 ASSI {  929}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 62   and name HB2 ))
      3.500     1.500     1.500 peak   929 spectrum    1 weight  0.10000E+01 volume  0.97732E-03 ppm1      8.847 ppm2      3.809 CV     1
 ASSI {  930}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 43   and name HN  ))
      3.300     1.300     1.300 peak   930 spectrum    1 weight  0.10000E+01 volume  0.97642E-03 ppm1      7.291 ppm2      8.632 CV     1
 ASSI {  931}
   (( segid " 1SG" and resid 59   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
      3.500     1.500     1.500 peak   931 spectrum    1 weight  0.10000E+01 volume  0.97612E-03 ppm1      8.380 ppm2      0.601 CV     1
 OR {  931}
   (( segid " 1SG" and resid 59   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI {  939}
   (( segid " 1SG" and resid 84   and name HN  ))
   (( segid " 1SG" and resid 81   and name HA  ))
      4.300     2.300     1.700 peak   939 spectrum    1 weight  0.10000E+01 volume  0.96849E-03 ppm1      7.866 ppm2      3.996 CV     1
 ASSI {  940}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 96   and name HG2 ))
      3.000     1.200     1.200 peak   940 spectrum    1 weight  0.10000E+01 volume  0.96844E-03 ppm1      8.106 ppm2      1.324 CV     1
 OR {  940}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 96   and name HG1 ))
 ASSI {  941}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 25   and name HA  ))
      3.600     1.600     1.600 peak   941 spectrum    1 weight  0.10000E+01 volume  0.96765E-03 ppm1      8.472 ppm2      5.686 CV     1
 ASSI {  943}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 43   and name HG2 ))
      3.400     1.500     1.500 peak   943 spectrum    1 weight  0.10000E+01 volume  0.96211E-03 ppm1      8.211 ppm2      0.071 CV     1
 ASSI {  944}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 59   and name HN  ))
      3.700     1.700     1.700 peak   944 spectrum    1 weight  0.10000E+01 volume  0.95648E-03 ppm1      8.685 ppm2      8.389 CV     1
 ASSI {  946}
   (( segid " 1SG" and resid 90   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG2%)
      4.200     2.200     1.800 peak   946 spectrum    1 weight  0.10000E+01 volume  0.95025E-03 ppm1      9.489 ppm2     -0.473 CV     1
 ASSI {  947}
   (( segid " 1SG" and resid 23   and name HN  ))
   (( segid " 1SG" and resid 22   and name HN  ))
      3.900     1.900     1.900 peak   947 spectrum    1 weight  0.10000E+01 volume  0.94811E-03 ppm1      7.911 ppm2      8.899 CV     1
 ASSI {  951}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 73   and name HB2 ))
      4.100     2.100     1.900 peak   951 spectrum    1 weight  0.10000E+01 volume  0.94282E-03 ppm1      8.467 ppm2      1.552 CV     1
 ASSI {  952}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 72   and name HB2 ))
      4.000     2.000     2.000 peak   952 spectrum    1 weight  0.10000E+01 volume  0.94178E-03 ppm1      8.896 ppm2      2.884 CV     1
 ASSI {  953}
   (( segid " 1SG" and resid 82   and name HN  ))
   (( segid " 1SG" and resid 82   and name HA  ))
      3.500     1.500     1.500 peak   953 spectrum    1 weight  0.10000E+01 volume  0.94133E-03 ppm1      8.017 ppm2      4.202 CV     1
 ASSI {  955}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 91   and name HB  ))
      4.100     2.100     1.900 peak   955 spectrum    1 weight  0.10000E+01 volume  0.94028E-03 ppm1      8.733 ppm2      1.128 CV     1
 ASSI {  963}
   (( segid " 1SG" and resid 72   and name HN  ))
   (( segid " 1SG" and resid 72   and name HA  ))
      3.100     1.200     1.200 peak   963 spectrum    1 weight  0.10000E+01 volume  0.93011E-03 ppm1      9.295 ppm2      5.368 CV     1
 ASSI {  964}
   (( segid " 1SG" and resid 87   and name HN  ))
   (( segid " 1SG" and resid 87   and name HA  ))
      3.300     1.400     1.400 peak   964 spectrum    1 weight  0.10000E+01 volume  0.92877E-03 ppm1      9.110 ppm2      4.975 CV     1
 ASSI {  967}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 17   and name HN  ))
      4.100     2.100     1.900 peak   967 spectrum    1 weight  0.10000E+01 volume  0.92523E-03 ppm1      8.592 ppm2      7.900 CV     1
 ASSI {  968}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 40   and name HN  ))
      3.900     1.900     1.900 peak   968 spectrum    1 weight  0.10000E+01 volume  0.92284E-03 ppm1      7.893 ppm2      8.706 CV     1
 ASSI {  971}
   (( segid " 1SG" and resid 33   and name HN  ))
   (  segid " 1SG" and resid 33   and name HD2%)
      3.600     1.600     1.600 peak   971 spectrum    1 weight  0.10000E+01 volume  0.92005E-03 ppm1      7.611 ppm2      0.876 CV     1
 OR {  971}
   (( segid " 1SG" and resid 33   and name HN  ))
   (  segid " 1SG" and resid 33   and name HD1%)
 ASSI {  972}
   (( segid " 1SG" and resid 72   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD2%)
      4.500     2.500     1.500 peak   972 spectrum    1 weight  0.10000E+01 volume  0.91980E-03 ppm1      9.295 ppm2      0.738 CV     1
 ASSI {  973}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 104  and name HG  ))
      3.500     1.500     1.500 peak   973 spectrum    1 weight  0.10000E+01 volume  0.91945E-03 ppm1      8.401 ppm2      1.329 CV     1
 ASSI {  975}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 42   and name HN  ))
      3.300     1.400     1.400 peak   975 spectrum    1 weight  0.10000E+01 volume  0.91721E-03 ppm1      9.108 ppm2      9.450 CV     1
 ASSI {  976}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 74   and name HB2 ))
      4.200     2.200     1.800 peak   976 spectrum    1 weight  0.10000E+01 volume  0.91561E-03 ppm1      9.150 ppm2     -0.838 CV     1
 ASSI {  977}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 87   and name HB2 ))
      4.100     2.100     1.900 peak   977 spectrum    1 weight  0.10000E+01 volume  0.91083E-03 ppm1      9.107 ppm2      0.710 CV     1
 ASSI {  979}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 46   and name HB2 ))
      3.800     1.800     1.800 peak   979 spectrum    1 weight  0.10000E+01 volume  0.90649E-03 ppm1      7.292 ppm2      3.055 CV     1
 ASSI {  980}
   (( segid " 1SG" and resid 10   and name HN  ))
   (( segid " 1SG" and resid 9    and name HG2 ))
      4.000     2.000     2.000 peak   980 spectrum    1 weight  0.10000E+01 volume  0.90629E-03 ppm1      8.851 ppm2      2.507 CV     1
 ASSI {  984}
   (( segid " 1SG" and resid 107  and name HN  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      4.500     2.500     1.500 peak   984 spectrum    1 weight  0.10000E+01 volume  0.89941E-03 ppm1      8.820 ppm2      1.285 CV     1
 ASSI {  990}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 77   and name HN  ))
      4.000     2.000     2.000 peak   990 spectrum    1 weight  0.10000E+01 volume  0.89313E-03 ppm1      8.053 ppm2      8.718 CV     1
 ASSI {  991}
   (( segid " 1SG" and resid 97   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.800     1.800     1.800 peak   991 spectrum    1 weight  0.10000E+01 volume  0.89283E-03 ppm1      8.063 ppm2      0.474 CV     1
 ASSI {  992}
   (( segid " 1SG" and resid 90   and name HN  ))
   (( segid " 1SG" and resid 90   and name HB2 ))
      3.300     1.400     1.400 peak   992 spectrum    1 weight  0.10000E+01 volume  0.89248E-03 ppm1      9.489 ppm2      2.034 CV     1
 ASSI {  993}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 49   and name HG  ))
      4.200     2.200     1.800 peak   993 spectrum    1 weight  0.10000E+01 volume  0.89208E-03 ppm1      8.941 ppm2      0.789 CV     1
 ASSI {  994}
   (( segid " 1SG" and resid 22   and name HN  ))
   (  segid " 1SG" and resid 77   and name HG2%)
      4.000     2.000     2.000 peak   994 spectrum    1 weight  0.10000E+01 volume  0.89009E-03 ppm1      8.888 ppm2      1.018 CV     1
 ASSI {  996}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 43   and name HB2 ))
      3.500     1.500     1.500 peak   996 spectrum    1 weight  0.10000E+01 volume  0.88860E-03 ppm1      8.628 ppm2      1.216 CV     1
 ASSI {  997}
   (( segid " 1SG" and resid 20   and name HN  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      3.600     1.600     1.600 peak   997 spectrum    1 weight  0.10000E+01 volume  0.88765E-03 ppm1      8.825 ppm2      0.602 CV     1
 ASSI {  998}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 18   and name HA  ))
      3.800     1.800     1.800 peak   998 spectrum    1 weight  0.10000E+01 volume  0.88142E-03 ppm1      8.973 ppm2      3.481 CV     1
 ASSI { 1001}
   (( segid " 1SG" and resid 28   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG2%)
      3.900     1.900     1.900 peak  1001 spectrum    1 weight  0.10000E+01 volume  0.87828E-03 ppm1      9.673 ppm2      0.941 CV     1
 OR { 1001}
   (( segid " 1SG" and resid 28   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG1%)
 ASSI { 1002}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 2    and name HA  ))
      3.800     1.800     1.800 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.87693E-03 ppm1      8.264 ppm2      4.901 CV     1
 ASSI { 1003}
   (( segid " 1SG" and resid 105  and name HN  ))
   (  segid " 1SG" and resid 104  and name HD2%)
      4.200     2.200     1.800 peak  1003 spectrum    1 weight  0.10000E+01 volume  0.86995E-03 ppm1      8.399 ppm2      0.818 CV     1
 ASSI { 1004}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 57   and name HG  ))
      4.200     2.200     1.800 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.86931E-03 ppm1      6.764 ppm2      0.753 CV     1
 ASSI { 1008}
   (( segid " 1SG" and resid 78   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      4.400     2.400     1.600 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.86681E-03 ppm1      8.053 ppm2      1.176 CV     1
 ASSI { 1009}
   (( segid " 1SG" and resid 27   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG2%)
      4.500     2.600     1.500 peak  1009 spectrum    1 weight  0.10000E+01 volume  0.86667E-03 ppm1      8.893 ppm2      0.948 CV     1
 OR { 1009}
   (( segid " 1SG" and resid 27   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG1%)
 ASSI { 1010}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 61   and name HN  ))
      4.400     2.400     1.600 peak  1010 spectrum    1 weight  0.10000E+01 volume  0.86657E-03 ppm1      8.686 ppm2      8.184 CV     1
 ASSI { 1013}
   (( segid " 1SG" and resid 46   and name HN  ))
   (( segid " 1SG" and resid 46   and name HA  ))
      3.400     1.400     1.400 peak  1013 spectrum    1 weight  0.10000E+01 volume  0.86467E-03 ppm1      8.217 ppm2      4.976 CV     1
 ASSI { 1014}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 21   and name HN  ))
      4.000     2.000     2.000 peak  1014 spectrum    1 weight  0.10000E+01 volume  0.86417E-03 ppm1      8.891 ppm2      8.169 CV     1
 ASSI { 1015}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 74   and name HA  ))
      3.300     1.300     1.300 peak  1015 spectrum    1 weight  0.10000E+01 volume  0.86362E-03 ppm1      8.470 ppm2      4.333 CV     1
 ASSI { 1016}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (  segid " 1SG" and resid 47   and name HG1%)
      4.300     2.300     1.700 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.86233E-03 ppm1     10.115 ppm2      0.962 CV     1
 ASSI { 1017}
   (( segid " 1SG" and resid 38   and name HN  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      3.600     1.700     1.700 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.85944E-03 ppm1      8.375 ppm2      0.173 CV     1
 ASSI { 1018}
   (( segid " 1SG" and resid 98   and name HN  ))
   (  segid " 1SG" and resid 97   and name HD% )
      3.700     1.700     1.700 peak  1018 spectrum    1 weight  0.10000E+01 volume  0.85754E-03 ppm1      8.417 ppm2      7.087 CV     1
 ASSI { 1019}
   (( segid " 1SG" and resid 104  and name HN  ))
   (  segid " 1SG" and resid 104  and name HD2%)
      4.100     2.100     1.900 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.85500E-03 ppm1      8.795 ppm2      0.813 CV     1
 ASSI { 1020}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 57   and name HN  ))
      3.300     1.300     1.300 peak  1020 spectrum    1 weight  0.10000E+01 volume  0.85445E-03 ppm1      7.433 ppm2      7.207 CV     1
 ASSI { 1022}
   (( segid " 1SG" and resid 101  and name HN  ))
   (( segid " 1SG" and resid 101  and name HB2 ))
      4.100     2.100     1.900 peak  1022 spectrum    1 weight  0.10000E+01 volume  0.85281E-03 ppm1      9.044 ppm2      2.699 CV     1
 ASSI { 1026}
   (( segid " 1SG" and resid 91   and name HN  ))
   (( segid " 1SG" and resid 99   and name HA  ))
      3.900     1.900     1.900 peak  1026 spectrum    1 weight  0.10000E+01 volume  0.84817E-03 ppm1      8.474 ppm2      5.702 CV     1
 ASSI { 1027}
   (( segid " 1SG" and resid 18   and name HN  ))
   (( segid " 1SG" and resid 107  and name HB1 ))
      4.200     2.200     1.800 peak  1027 spectrum    1 weight  0.10000E+01 volume  0.84763E-03 ppm1      8.006 ppm2      3.075 CV     1
 OR { 1027}
   (( segid " 1SG" and resid 18   and name HN  ))
   (( segid " 1SG" and resid 107  and name HB2 ))
 ASSI { 1028}
   (( segid " 1SG" and resid 12   and name HN  ))
   (( segid " 1SG" and resid 11   and name HB2 ))
      3.600     1.700     1.700 peak  1028 spectrum    1 weight  0.10000E+01 volume  0.84598E-03 ppm1      8.345 ppm2      0.920 CV     1
 ASSI { 1029}
   (( segid " 1SG" and resid 42   and name HN  ))
   (( segid " 1SG" and resid 42   and name HB2 ))
      3.500     1.600     1.600 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.84593E-03 ppm1      9.448 ppm2      2.466 CV     1
 ASSI { 1031}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 70   and name HN  ))
      4.100     2.100     1.900 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.84468E-03 ppm1      6.898 ppm2      9.268 CV     1
 ASSI { 1035}
   (( segid " 1SG" and resid 84   and name HN  ))
   (( segid " 1SG" and resid 106  and name HN  ))
      4.000     2.000     2.000 peak  1035 spectrum    1 weight  0.10000E+01 volume  0.83970E-03 ppm1      7.865 ppm2      8.160 CV     1
 ASSI { 1036}
   (( segid " 1SG" and resid 51   and name HN  ))
   (( segid " 1SG" and resid 49   and name HA  ))
      3.700     1.700     1.700 peak  1036 spectrum    1 weight  0.10000E+01 volume  0.83721E-03 ppm1      7.877 ppm2      3.864 CV     1
 ASSI { 1039}
   (( segid " 1SG" and resid 65   and name HN  ))
   (  segid " 1SG" and resid 66   and name HB% )
      4.600     2.700     1.400 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.83352E-03 ppm1      8.306 ppm2      1.408 CV     1
 ASSI { 1040}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      4.300     2.300     1.700 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.83282E-03 ppm1      8.721 ppm2      2.808 CV     1
 ASSI { 1041}
   (( segid " 1SG" and resid 70   and name HN  ))
   (( segid " 1SG" and resid 69   and name HB  ))
      3.900     1.900     1.900 peak  1041 spectrum    1 weight  0.10000E+01 volume  0.83033E-03 ppm1      9.274 ppm2      1.751 CV     1
 ASSI { 1042}
   (( segid " 1SG" and resid 84   and name HN  ))
   (( segid " 1SG" and resid 83   and name HB2 ))
      4.100     2.100     1.900 peak  1042 spectrum    1 weight  0.10000E+01 volume  0.82993E-03 ppm1      7.868 ppm2      3.172 CV     1
 ASSI { 1043}
   (( segid " 1SG" and resid 30   and name HN  ))
   (  segid " 1SG" and resid 70   and name HD% )
      3.800     1.800     1.800 peak  1043 spectrum    1 weight  0.10000E+01 volume  0.82873E-03 ppm1      8.592 ppm2      7.062 CV     1
 ASSI { 1045}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 81   and name HA  ))
      3.500     1.500     1.500 peak  1045 spectrum    1 weight  0.10000E+01 volume  0.82430E-03 ppm1      8.255 ppm2      3.992 CV     1
 ASSI { 1046}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 99   and name HA  ))
      3.500     1.500     1.500 peak  1046 spectrum    1 weight  0.10000E+01 volume  0.82121E-03 ppm1      9.230 ppm2      5.702 CV     1
 ASSI { 1047}
   (( segid " 1SG" and resid 84   and name HN  ))
   (  segid " 1SG" and resid 104  and name HD2%)
      3.900     1.900     1.900 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.82096E-03 ppm1      7.867 ppm2      0.812 CV     1
 ASSI { 1049}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 54   and name HN  ))
      3.600     1.700     1.700 peak  1049 spectrum    1 weight  0.10000E+01 volume  0.81842E-03 ppm1      7.434 ppm2      9.012 CV     1
 ASSI { 1051}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 19   and name HA1 ))
      4.700     2.800     1.300 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.81667E-03 ppm1      8.051 ppm2      4.254 CV     1
 ASSI { 1052}
   (( segid " 1SG" and resid 46   and name HN  ))
   (( segid " 1SG" and resid 46   and name HB2 ))
      3.900     1.900     1.900 peak  1052 spectrum    1 weight  0.10000E+01 volume  0.81533E-03 ppm1      8.216 ppm2      3.056 CV     1
 ASSI { 1054}
   (( segid " 1SG" and resid 62   and name HN  ))
   (  segid " 1SG" and resid 72   and name HD% )
      4.200     2.200     1.800 peak  1054 spectrum    1 weight  0.10000E+01 volume  0.81274E-03 ppm1      8.848 ppm2      7.306 CV     1
 ASSI { 1055}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HD1 ))
      4.100     2.100     1.900 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.81229E-03 ppm1      8.305 ppm2      3.228 CV     1
 OR { 1055}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HD2 ))
 ASSI { 1057}
   (( segid " 1SG" and resid 72   and name HN  ))
   (  segid " 1SG" and resid 26   and name HB% )
      3.700     1.700     1.700 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.81059E-03 ppm1      9.293 ppm2      1.455 CV     1
 ASSI { 1059}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 23   and name HB  ))
      4.300     2.300     1.700 peak  1059 spectrum    1 weight  0.10000E+01 volume  0.80725E-03 ppm1      9.239 ppm2      3.585 CV     1
 ASSI { 1060}
   (( segid " 1SG" and resid 70   and name HN  ))
   (( segid " 1SG" and resid 28   and name HN  ))
      3.400     1.400     1.400 peak  1060 spectrum    1 weight  0.10000E+01 volume  0.80685E-03 ppm1      9.269 ppm2      9.678 CV     1
 ASSI { 1061}
   (( segid " 1SG" and resid 46   and name HN  ))
   (( segid " 1SG" and resid 45   and name HB2 ))
      3.400     1.500     1.500 peak  1061 spectrum    1 weight  0.10000E+01 volume  0.80576E-03 ppm1      8.213 ppm2      0.596 CV     1
 ASSI { 1062}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 74   and name HA  ))
      3.600     1.600     1.600 peak  1062 spectrum    1 weight  0.10000E+01 volume  0.80466E-03 ppm1      8.687 ppm2      4.333 CV     1
 ASSI { 1065}
   (( segid " 1SG" and resid 85   and name HN  ))
   (( segid " 1SG" and resid 104  and name HG  ))
      3.800     1.900     1.900 peak  1065 spectrum    1 weight  0.10000E+01 volume  0.80037E-03 ppm1      9.407 ppm2      1.334 CV     1
 ASSI { 1071}
   (( segid " 1SG" and resid 7    and name HN  ))
   (( segid " 1SG" and resid 6    and name HA  ))
      3.600     1.600     1.600 peak  1071 spectrum    1 weight  0.10000E+01 volume  0.79380E-03 ppm1      8.878 ppm2      4.443 CV     1
 ASSI { 1073}
   (( segid " 1SG" and resid 19   and name HN  ))
   (( segid " 1SG" and resid 18   and name HN  ))
      4.300     2.300     1.700 peak  1073 spectrum    1 weight  0.10000E+01 volume  0.78976E-03 ppm1      9.828 ppm2      8.006 CV     1
 ASSI { 1077}
   (( segid " 1SG" and resid 62   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD2%)
      4.200     2.200     1.800 peak  1077 spectrum    1 weight  0.10000E+01 volume  0.78487E-03 ppm1      8.848 ppm2      0.735 CV     1
 ASSI { 1078}
   (( segid " 1SG" and resid 72   and name HN  ))
   (( segid " 1SG" and resid 27   and name HA  ))
      4.000     2.000     2.000 peak  1078 spectrum    1 weight  0.10000E+01 volume  0.78428E-03 ppm1      9.296 ppm2      5.831 CV     1
 ASSI { 1079}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 67   and name HB1 ))
      3.900     1.900     1.900 peak  1079 spectrum    1 weight  0.10000E+01 volume  0.78308E-03 ppm1      6.900 ppm2      3.732 CV     1
 OR { 1079}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 67   and name HB2 ))
 ASSI { 1080}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 55   and name HA  ))
      3.600     1.600     1.600 peak  1080 spectrum    1 weight  0.10000E+01 volume  0.78233E-03 ppm1      7.434 ppm2      3.988 CV     1
 ASSI { 1081}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 105  and name HB  ))
      4.000     2.000     2.000 peak  1081 spectrum    1 weight  0.10000E+01 volume  0.78198E-03 ppm1      8.593 ppm2      3.930 CV     1
 ASSI { 1082}
   (( segid " 1SG" and resid 77   and name HN  ))
   (( segid " 1SG" and resid 76   and name HB  ))
      4.100     2.100     1.900 peak  1082 spectrum    1 weight  0.10000E+01 volume  0.78173E-03 ppm1      8.711 ppm2      1.910 CV     1
 ASSI { 1083}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 21   and name HA  ))
      3.700     1.700     1.700 peak  1083 spectrum    1 weight  0.10000E+01 volume  0.78114E-03 ppm1      8.972 ppm2      5.495 CV     1
 ASSI { 1084}
   (( segid " 1SG" and resid 80   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      4.000     2.000     2.000 peak  1084 spectrum    1 weight  0.10000E+01 volume  0.78089E-03 ppm1      5.579 ppm2      1.174 CV     1
 ASSI { 1088}
   (( segid " 1SG" and resid 85   and name HN  ))
   (  segid " 1SG" and resid 104  and name HD2%)
      3.400     1.500     1.500 peak  1088 spectrum    1 weight  0.10000E+01 volume  0.77799E-03 ppm1      9.407 ppm2      0.814 CV     1
 ASSI { 1092}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 72   and name HB2 ))
      4.300     2.300     1.700 peak  1092 spectrum    1 weight  0.10000E+01 volume  0.77361E-03 ppm1      9.451 ppm2      2.893 CV     1
 ASSI { 1095}
   (( segid " 1SG" and resid 90   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG1%)
      2.800     1.000     1.000 peak  1095 spectrum    1 weight  0.10000E+01 volume  0.35998E-02 ppm1      9.489 ppm2     -0.081 CV     1
 ASSI { 1099}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 46   and name HD1 ))
      4.000     2.000     2.000 peak  1099 spectrum    1 weight  0.10000E+01 volume  0.76274E-03 ppm1      7.291 ppm2      7.129 CV     1
 ASSI { 1101}
   (( segid " 1SG" and resid 43   and name HN  ))
   (  segid " 1SG" and resid 42   and name HD% )
      3.500     1.500     1.500 peak  1101 spectrum    1 weight  0.10000E+01 volume  0.76125E-03 ppm1      8.628 ppm2      6.700 CV     1
 ASSI { 1102}
   (( segid " 1SG" and resid 93   and name HN  ))
   (( segid " 1SG" and resid 92   and name HN  ))
      4.000     2.000     2.000 peak  1102 spectrum    1 weight  0.10000E+01 volume  0.76080E-03 ppm1      8.556 ppm2      8.734 CV     1
 ASSI { 1103}
   (( segid " 1SG" and resid 76   and name HN  ))
   (( segid " 1SG" and resid 24   and name HN  ))
      4.300     2.300     1.700 peak  1103 spectrum    1 weight  0.10000E+01 volume  0.75412E-03 ppm1      8.925 ppm2      9.242 CV     1
 ASSI { 1105}
   (( segid " 1SG" and resid 48   and name HN  ))
   (  segid " 1SG" and resid 42   and name HD% )
      4.100     2.100     1.900 peak  1105 spectrum    1 weight  0.10000E+01 volume  0.75322E-03 ppm1      8.396 ppm2      6.693 CV     1
 ASSI { 1106}
   (( segid " 1SG" and resid 90   and name HN  ))
   (( segid " 1SG" and resid 89   and name HB2 ))
      4.400     2.400     1.600 peak  1106 spectrum    1 weight  0.10000E+01 volume  0.75312E-03 ppm1      9.488 ppm2      2.324 CV     1
 ASSI { 1107}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (( segid " 1SG" and resid 59   and name HB2 ))
      4.800     2.800     1.200 peak  1107 spectrum    1 weight  0.10000E+01 volume  0.75297E-03 ppm1     10.780 ppm2      1.690 CV     1
 OR { 1107}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (( segid " 1SG" and resid 59   and name HB1 ))
 ASSI { 1109}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 89   and name HB2 ))
      3.500     1.500     1.500 peak  1109 spectrum    1 weight  0.10000E+01 volume  0.75098E-03 ppm1      8.977 ppm2      2.309 CV     1
 ASSI { 1114}
   (( segid " 1SG" and resid 40   and name HN  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      4.900     3.000     1.100 peak  1114 spectrum    1 weight  0.10000E+01 volume  0.74415E-03 ppm1      8.695 ppm2      0.172 CV     1
 ASSI { 1115}
   (( segid " 1SG" and resid 96   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.800     1.800     1.800 peak  1115 spectrum    1 weight  0.10000E+01 volume  0.74066E-03 ppm1      7.545 ppm2      0.466 CV     1
 ASSI { 1116}
   (( segid " 1SG" and resid 78   and name HN  ))
   (  segid " 1SG" and resid 76   and name HG2%)
      4.000     2.000     2.000 peak  1116 spectrum    1 weight  0.10000E+01 volume  0.73722E-03 ppm1      8.055 ppm2      0.789 CV     1
 ASSI { 1117}
   (( segid " 1SG" and resid 64   and name HN  ))
   (( segid " 1SG" and resid 63   and name HB2 ))
      4.900     2.900     1.100 peak  1117 spectrum    1 weight  0.10000E+01 volume  0.73573E-03 ppm1      7.754 ppm2      2.540 CV     1
 ASSI { 1118}
   (( segid " 1SG" and resid 33   and name HN  ))
   (( segid " 1SG" and resid 32   and name HA  ))
      3.600     1.600     1.600 peak  1118 spectrum    1 weight  0.10000E+01 volume  0.73463E-03 ppm1      7.614 ppm2      4.515 CV     1
 ASSI { 1119}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 72   and name HN  ))
      4.200     2.200     1.800 peak  1119 spectrum    1 weight  0.10000E+01 volume  0.73383E-03 ppm1      9.450 ppm2      9.298 CV     1
 ASSI { 1120}
   (( segid " 1SG" and resid 50   and name HN  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      3.900     1.900     1.900 peak  1120 spectrum    1 weight  0.10000E+01 volume  0.73144E-03 ppm1      8.939 ppm2      1.056 CV     1
 ASSI { 1122}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 40   and name HD2 ))
      4.000     2.000     2.000 peak  1122 spectrum    1 weight  0.10000E+01 volume  0.72955E-03 ppm1      8.978 ppm2      1.704 CV     1
 OR { 1122}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 40   and name HD1 ))
 ASSI { 1124}
   (( segid " 1SG" and resid 84   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      5.000     3.100     1.000 peak  1124 spectrum    1 weight  0.10000E+01 volume  0.72880E-03 ppm1      7.861 ppm2      0.372 CV     1
 ASSI { 1127}
   (( segid " 1SG" and resid 30   and name HN  ))
   (  segid " 1SG" and resid 70   and name HE% )
      4.000     2.000     2.000 peak  1127 spectrum    1 weight  0.10000E+01 volume  0.72526E-03 ppm1      8.590 ppm2      6.626 CV     1
 ASSI { 1128}
   (( segid " 1SG" and resid 6    and name HN  ))
   (  segid " 1SG" and resid 6    and name HD1%)
      4.200     2.200     1.800 peak  1128 spectrum    1 weight  0.10000E+01 volume  0.72407E-03 ppm1      8.452 ppm2      0.650 CV     1
 ASSI { 1130}
   (( segid " 1SG" and resid 52   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
      4.600     2.700     1.400 peak  1130 spectrum    1 weight  0.10000E+01 volume  0.72297E-03 ppm1      7.782 ppm2      0.598 CV     1
 OR { 1130}
   (( segid " 1SG" and resid 52   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI { 1134}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 43   and name HA  ))
      3.400     1.400     1.400 peak  1134 spectrum    1 weight  0.10000E+01 volume  0.72088E-03 ppm1      8.628 ppm2      4.137 CV     1
 ASSI { 1135}
   (( segid " 1SG" and resid 102  and name HN  ))
   (  segid " 1SG" and resid 102  and name HD% )
      3.600     1.600     1.600 peak  1135 spectrum    1 weight  0.10000E+01 volume  0.72073E-03 ppm1      8.559 ppm2      6.774 CV     1
 ASSI { 1136}
   (( segid " 1SG" and resid 85   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG1%)
      4.100     2.100     1.900 peak  1136 spectrum    1 weight  0.10000E+01 volume  0.71983E-03 ppm1      9.402 ppm2      0.679 CV     1
 ASSI { 1139}
   (( segid " 1SG" and resid 97   and name HN  ))
   (  segid " 1SG" and resid 97   and name HD% )
      4.400     2.400     1.600 peak  1139 spectrum    1 weight  0.10000E+01 volume  0.71858E-03 ppm1      8.059 ppm2      7.095 CV     1
 ASSI { 1147}
   (( segid " 1SG" and resid 6    and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      4.600     2.600     1.400 peak  1147 spectrum    1 weight  0.10000E+01 volume  0.71320E-03 ppm1      8.450 ppm2      0.473 CV     1
 ASSI { 1148}
   (( segid " 1SG" and resid 100  and name HN  ))
   (( segid " 1SG" and resid 100  and name HB2 ))
      4.100     2.100     1.900 peak  1148 spectrum    1 weight  0.10000E+01 volume  0.71245E-03 ppm1      8.896 ppm2      2.949 CV     1
 ASSI { 1149}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 94   and name HD2 ))
      3.100     3.100     2.900 peak  1149 spectrum    1 weight  0.10000E+01 volume  0.71111E-03 ppm1      7.966 ppm2      1.675 CV     1
 OR { 1149}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 94   and name HD1 ))
 ASSI { 1150}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 7    and name HB2 ))
      2.900     2.900     3.100 peak  1150 spectrum    1 weight  0.10000E+01 volume  0.71086E-03 ppm1      7.886 ppm2      2.575 CV     1
 ASSI { 1151}
   (( segid " 1SG" and resid 105  and name HN  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      4.100     2.100     1.900 peak  1151 spectrum    1 weight  0.10000E+01 volume  0.71021E-03 ppm1      8.397 ppm2      0.598 CV     1
 ASSI { 1153}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 49   and name HB2 ))
      4.600     2.600     1.400 peak  1153 spectrum    1 weight  0.10000E+01 volume  0.70622E-03 ppm1      6.765 ppm2      1.541 CV     1
 ASSI { 1154}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 104  and name HG  ))
      4.100     2.100     1.900 peak  1154 spectrum    1 weight  0.10000E+01 volume  0.70572E-03 ppm1      8.795 ppm2      1.331 CV     1
 ASSI { 1155}
   (( segid " 1SG" and resid 17   and name HN  ))
   (( segid " 1SG" and resid 20   and name HA1 ))
      3.600     1.600     1.600 peak  1155 spectrum    1 weight  0.10000E+01 volume  0.70343E-03 ppm1      7.901 ppm2      3.729 CV     1
 ASSI { 1156}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 94   and name HA  ))
      4.700     2.700     1.300 peak  1156 spectrum    1 weight  0.10000E+01 volume  0.70338E-03 ppm1      7.545 ppm2      4.046 CV     1
 ASSI { 1159}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (  segid " 1SG" and resid 47   and name HG2%)
      4.500     2.600     1.500 peak  1159 spectrum    1 weight  0.10000E+01 volume  0.70253E-03 ppm1     10.119 ppm2      0.784 CV     1
 ASSI { 1160}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 29   and name HN  ))
      4.100     2.100     1.900 peak  1160 spectrum    1 weight  0.10000E+01 volume  0.70144E-03 ppm1      9.673 ppm2      8.869 CV     1
 ASSI { 1161}
   (( segid " 1SG" and resid 21   and name HN  ))
   (( segid " 1SG" and resid 77   and name HA  ))
      4.800     2.900     1.200 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.70084E-03 ppm1      8.164 ppm2      4.654 CV     1
 ASSI { 1162}
   (( segid " 1SG" and resid 64   and name HN  ))
   (( segid " 1SG" and resid 68   and name HN  ))
      4.100     2.100     1.900 peak  1162 spectrum    1 weight  0.10000E+01 volume  0.70019E-03 ppm1      7.762 ppm2      7.885 CV     1
 ASSI { 1163}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 48   and name HB2 ))
      4.500     2.500     1.500 peak  1163 spectrum    1 weight  0.10000E+01 volume  0.69979E-03 ppm1      9.289 ppm2      2.942 CV     1
 ASSI { 1166}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 104  and name HB2 ))
      4.500     2.500     1.500 peak  1166 spectrum    1 weight  0.10000E+01 volume  0.69775E-03 ppm1      8.397 ppm2      1.239 CV     1
 ASSI { 1167}
   (( segid " 1SG" and resid 8    and name HN  ))
   (  segid " 1SG" and resid 7    and name HD% )
      4.700     2.800     1.300 peak  1167 spectrum    1 weight  0.10000E+01 volume  0.69630E-03 ppm1      9.051 ppm2      7.309 CV     1
 ASSI { 1168}
   (( segid " 1SG" and resid 67   and name HN  ))
   (  segid " 1SG" and resid 69   and name HG2%)
      4.100     2.100     1.900 peak  1168 spectrum    1 weight  0.10000E+01 volume  0.69620E-03 ppm1      7.424 ppm2      0.850 CV     1
 OR { 1168}
   (( segid " 1SG" and resid 67   and name HN  ))
   (  segid " 1SG" and resid 69   and name HG1%)
 ASSI { 1170}
   (( segid " 1SG" and resid 12   and name HE21))
   (  segid " 1SG" and resid 102  and name HE% )
      4.100     2.100     1.900 peak  1170 spectrum    1 weight  0.10000E+01 volume  0.69551E-03 ppm1      7.462 ppm2      7.083 CV     1
 ASSI { 1172}
   (( segid " 1SG" and resid 86   and name HN  ))
   (( segid " 1SG" and resid 85   and name HN  ))
      4.100     2.100     1.900 peak  1172 spectrum    1 weight  0.10000E+01 volume  0.69536E-03 ppm1      7.948 ppm2      9.406 CV     1
 ASSI { 1173}
   (( segid " 1SG" and resid 90   and name HN  ))
   (( segid " 1SG" and resid 41   and name HA  ))
      4.200     2.200     1.800 peak  1173 spectrum    1 weight  0.10000E+01 volume  0.69346E-03 ppm1      9.490 ppm2      5.471 CV     1
 ASSI { 1174}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB1 ))
      4.600     2.700     1.400 peak  1174 spectrum    1 weight  0.10000E+01 volume  0.69336E-03 ppm1      7.198 ppm2      2.395 CV     1
 OR { 1174}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB2 ))
 ASSI { 1175}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 73   and name HB2 ))
      3.700     1.700     1.700 peak  1175 spectrum    1 weight  0.10000E+01 volume  0.69336E-03 ppm1      8.688 ppm2      1.552 CV     1
 ASSI { 1177}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 43   and name HD1 ))
      4.600     2.600     1.400 peak  1177 spectrum    1 weight  0.10000E+01 volume  0.69261E-03 ppm1      8.632 ppm2      1.317 CV     1
 OR { 1177}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 43   and name HD2 ))
 ASSI { 1181}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 99   and name HB2 ))
      3.900     1.900     1.900 peak  1181 spectrum    1 weight  0.10000E+01 volume  0.68918E-03 ppm1      9.230 ppm2      2.737 CV     1
 ASSI { 1183}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HA  ))
      3.400     1.500     1.500 peak  1183 spectrum    1 weight  0.10000E+01 volume  0.68893E-03 ppm1      8.888 ppm2      5.828 CV     1
 ASSI { 1184}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 105  and name HN  ))
      3.800     1.800     1.800 peak  1184 spectrum    1 weight  0.10000E+01 volume  0.68883E-03 ppm1      9.178 ppm2      8.396 CV     1
 ASSI { 1187}
   (( segid " 1SG" and resid 17   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      4.400     2.500     1.600 peak  1187 spectrum    1 weight  0.10000E+01 volume  0.68788E-03 ppm1      7.900 ppm2      1.179 CV     1
 ASSI { 1193}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 96   and name HG2 ))
      4.700     2.800     1.300 peak  1193 spectrum    1 weight  0.10000E+01 volume  0.68294E-03 ppm1      7.973 ppm2      1.317 CV     1
 OR { 1193}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 96   and name HG1 ))
 ASSI { 1194}
   (( segid " 1SG" and resid 60   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD2%)
      4.300     2.400     1.700 peak  1194 spectrum    1 weight  0.10000E+01 volume  0.68090E-03 ppm1      8.688 ppm2      0.407 CV     1
 OR { 1194}
   (( segid " 1SG" and resid 60   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI { 1199}
   (( segid " 1SG" and resid 70   and name HN  ))
   (( segid " 1SG" and resid 29   and name HA  ))
      4.200     2.200     1.800 peak  1199 spectrum    1 weight  0.10000E+01 volume  0.68025E-03 ppm1      9.269 ppm2      4.385 CV     1
 ASSI { 1201}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 81   and name HA  ))
      5.200     3.400     0.800 peak  1201 spectrum    1 weight  0.10000E+01 volume  0.67886E-03 ppm1      8.150 ppm2      3.988 CV     1
 ASSI { 1205}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (  segid " 1SG" and resid 74   and name HD2%)
      4.000     2.000     2.000 peak  1205 spectrum    1 weight  0.10000E+01 volume  0.67766E-03 ppm1     10.782 ppm2      0.402 CV     1
 OR { 1205}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI { 1207}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 49   and name HB2 ))
      3.200     1.300     1.300 peak  1207 spectrum    1 weight  0.10000E+01 volume  0.67622E-03 ppm1      8.941 ppm2      1.554 CV     1
 ASSI { 1210}
   (( segid " 1SG" and resid 29   and name HN  ))
   (( segid " 1SG" and resid 28   and name HB  ))
      4.200     2.200     1.800 peak  1210 spectrum    1 weight  0.10000E+01 volume  0.67298E-03 ppm1      8.854 ppm2      1.961 CV     1
 ASSI { 1211}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 82   and name HN  ))
      3.500     1.500     1.500 peak  1211 spectrum    1 weight  0.10000E+01 volume  0.67283E-03 ppm1      8.254 ppm2      8.025 CV     1
 ASSI { 1213}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 43   and name HB2 ))
      4.100     2.100     1.900 peak  1213 spectrum    1 weight  0.10000E+01 volume  0.66924E-03 ppm1      8.211 ppm2      1.213 CV     1
 ASSI { 1214}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 15   and name HB2 ))
      4.700     2.800     1.300 peak  1214 spectrum    1 weight  0.10000E+01 volume  0.66894E-03 ppm1      8.404 ppm2      2.024 CV     1
 OR { 1214}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 15   and name HB1 ))
 ASSI { 1217}
   (( segid " 1SG" and resid 76   and name HN  ))
   (( segid " 1SG" and resid 77   and name HN  ))
      4.100     2.100     1.900 peak  1217 spectrum    1 weight  0.10000E+01 volume  0.66690E-03 ppm1      8.925 ppm2      8.720 CV     1
 ASSI { 1218}
   (( segid " 1SG" and resid 80   and name HE21))
   (( segid " 1SG" and resid 80   and name HA  ))
      3.800     1.800     1.800 peak  1218 spectrum    1 weight  0.10000E+01 volume  0.66570E-03 ppm1      6.979 ppm2      4.637 CV     1
 ASSI { 1222}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 93   and name HB  ))
      3.700     1.700     1.700 peak  1222 spectrum    1 weight  0.10000E+01 volume  0.66301E-03 ppm1      7.972 ppm2      4.556 CV     1
 ASSI { 1223}
   (( segid " 1SG" and resid 98   and name HN  ))
   (( segid " 1SG" and resid 97   and name HB2 ))
      4.500     2.500     1.500 peak  1223 spectrum    1 weight  0.10000E+01 volume  0.66261E-03 ppm1      8.414 ppm2      2.674 CV     1
 ASSI { 1224}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 68   and name HG1 ))
      5.200     3.300     0.800 peak  1224 spectrum    1 weight  0.10000E+01 volume  0.66221E-03 ppm1      7.423 ppm2      1.256 CV     1
 OR { 1224}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 68   and name HG2 ))
 ASSI { 1225}
   (( segid " 1SG" and resid 96   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD1%)
      4.100     2.100     1.900 peak  1225 spectrum    1 weight  0.10000E+01 volume  0.66166E-03 ppm1      7.544 ppm2      0.653 CV     1
 ASSI { 1226}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 60   and name HB2 ))
      3.700     1.700     1.700 peak  1226 spectrum    1 weight  0.10000E+01 volume  0.66027E-03 ppm1      9.449 ppm2      2.977 CV     1
 ASSI { 1228}
   (( segid " 1SG" and resid 108  and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.800     1.800     1.800 peak  1228 spectrum    1 weight  0.10000E+01 volume  0.65757E-03 ppm1      8.564 ppm2      0.370 CV     1
 ASSI { 1230}
   (( segid " 1SG" and resid 30   and name HN  ))
   (( segid " 1SG" and resid 70   and name HN  ))
      4.100     2.100     1.900 peak  1230 spectrum    1 weight  0.10000E+01 volume  0.65468E-03 ppm1      8.593 ppm2      9.275 CV     1
 ASSI { 1231}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 24   and name HN  ))
      4.300     2.300     1.700 peak  1231 spectrum    1 weight  0.10000E+01 volume  0.65458E-03 ppm1      8.400 ppm2      9.240 CV     1
 ASSI { 1232}
   (( segid " 1SG" and resid 83   and name HN  ))
   (  segid " 1SG" and resid 83   and name HE% )
      5.000     3.200     1.000 peak  1232 spectrum    1 weight  0.10000E+01 volume  0.65443E-03 ppm1      8.256 ppm2      7.263 CV     1
 ASSI { 1238}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 58   and name HG2 ))
      4.500     2.600     1.500 peak  1238 spectrum    1 weight  0.10000E+01 volume  0.65030E-03 ppm1      9.148 ppm2      1.803 CV     1
 ASSI { 1239}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 40   and name HD1 ))
      4.200     2.200     1.800 peak  1239 spectrum    1 weight  0.10000E+01 volume  0.64870E-03 ppm1      9.110 ppm2      1.698 CV     1
 OR { 1239}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 40   and name HD2 ))
 ASSI { 1241}
   (( segid " 1SG" and resid 108  and name HN  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      2.900     2.900     3.100 peak  1241 spectrum    1 weight  0.10000E+01 volume  0.64835E-03 ppm1      8.565 ppm2      1.285 CV     1
 ASSI { 1245}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 41   and name HD1 ))
      4.200     2.200     1.800 peak  1245 spectrum    1 weight  0.10000E+01 volume  0.64646E-03 ppm1      8.690 ppm2      7.122 CV     1
 ASSI { 1247}
   (( segid " 1SG" and resid 58   and name HE22))
   (( segid " 1SG" and resid 77   and name HB  ))
      4.400     2.400     1.600 peak  1247 spectrum    1 weight  0.10000E+01 volume  0.64571E-03 ppm1      6.686 ppm2      4.009 CV     1
 ASSI { 1248}
   (( segid " 1SG" and resid 26   and name HN  ))
   (( segid " 1SG" and resid 25   and name HN  ))
      4.400     2.400     1.600 peak  1248 spectrum    1 weight  0.10000E+01 volume  0.64531E-03 ppm1      9.499 ppm2      8.406 CV     1
 ASSI { 1249}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 7    and name HB2 ))
      2.900     2.900     3.100 peak  1249 spectrum    1 weight  0.10000E+01 volume  0.64496E-03 ppm1      9.229 ppm2      2.578 CV     1
 ASSI { 1250}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 77   and name HN  ))
      5.000     3.100     1.000 peak  1250 spectrum    1 weight  0.10000E+01 volume  0.64467E-03 ppm1      8.944 ppm2      8.717 CV     1
 ASSI { 1258}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 74   and name HN  ))
      4.400     2.400     1.600 peak  1258 spectrum    1 weight  0.10000E+01 volume  0.63988E-03 ppm1      9.450 ppm2      8.472 CV     1
 ASSI { 1260}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 42   and name HB2 ))
      4.600     2.600     1.400 peak  1260 spectrum    1 weight  0.10000E+01 volume  0.63883E-03 ppm1      9.287 ppm2      2.479 CV     1
 ASSI { 1263}
   (( segid " 1SG" and resid 73   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD2%)
      4.400     2.400     1.600 peak  1263 spectrum    1 weight  0.10000E+01 volume  0.63604E-03 ppm1      9.448 ppm2      0.742 CV     1
 ASSI { 1264}
   (( segid " 1SG" and resid 80   and name HE22))
   (( segid " 1SG" and resid 80   and name HA  ))
      5.300     3.500     0.700 peak  1264 spectrum    1 weight  0.10000E+01 volume  0.63490E-03 ppm1      6.643 ppm2      4.635 CV     1
 ASSI { 1268}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 89   and name HA  ))
      3.600     1.600     1.600 peak  1268 spectrum    1 weight  0.10000E+01 volume  0.63390E-03 ppm1      8.977 ppm2      4.944 CV     1
 ASSI { 1269}
   (( segid " 1SG" and resid 73   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD1%)
      4.000     2.000     2.000 peak  1269 spectrum    1 weight  0.10000E+01 volume  0.63380E-03 ppm1      9.452 ppm2      0.839 CV     1
 ASSI { 1270}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 57   and name HG  ))
      4.800     2.900     1.200 peak  1270 spectrum    1 weight  0.10000E+01 volume  0.63360E-03 ppm1      9.018 ppm2      0.750 CV     1
 ASSI { 1272}
   (( segid " 1SG" and resid 53   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD1%)
      5.200     3.400     0.800 peak  1272 spectrum    1 weight  0.10000E+01 volume  0.63280E-03 ppm1      6.765 ppm2      0.861 CV     1
 ASSI { 1273}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 98   and name HB2 ))
      5.000     3.100     1.000 peak  1273 spectrum    1 weight  0.10000E+01 volume  0.63235E-03 ppm1      9.229 ppm2      2.289 CV     1
 ASSI { 1274}
   (( segid " 1SG" and resid 16   and name HN  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      4.600     2.600     1.400 peak  1274 spectrum    1 weight  0.10000E+01 volume  0.63201E-03 ppm1      8.594 ppm2      1.286 CV     1
 ASSI { 1276}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 71   and name HA  ))
      4.000     2.000     2.000 peak  1276 spectrum    1 weight  0.10000E+01 volume  0.63141E-03 ppm1      9.674 ppm2      5.062 CV     1
 ASSI { 1277}
   (( segid " 1SG" and resid 76   and name HN  ))
   (( segid " 1SG" and resid 75   and name HN  ))
      4.000     2.000     2.000 peak  1277 spectrum    1 weight  0.10000E+01 volume  0.63126E-03 ppm1      8.928 ppm2      9.150 CV     1
 ASSI { 1285}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 17   and name HN  ))
      3.800     1.800     1.800 peak  1285 spectrum    1 weight  0.10000E+01 volume  0.62293E-03 ppm1      8.829 ppm2      7.897 CV     1
 ASSI { 1286}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 65   and name HA  ))
      4.200     2.200     1.800 peak  1286 spectrum    1 weight  0.10000E+01 volume  0.62293E-03 ppm1      7.422 ppm2      3.445 CV     1
 ASSI { 1287}
   (( segid " 1SG" and resid 22   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      4.200     2.200     1.800 peak  1287 spectrum    1 weight  0.10000E+01 volume  0.62288E-03 ppm1      8.892 ppm2      1.182 CV     1
 ASSI { 1288}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 67   and name HA  ))
      4.900     3.000     1.100 peak  1288 spectrum    1 weight  0.10000E+01 volume  0.62254E-03 ppm1      8.107 ppm2      4.299 CV     1
 ASSI { 1290}
   (( segid " 1SG" and resid 70   and name HN  ))
   (( segid " 1SG" and resid 28   and name HB  ))
      3.600     1.700     1.700 peak  1290 spectrum    1 weight  0.10000E+01 volume  0.62234E-03 ppm1      9.273 ppm2      1.954 CV     1
 ASSI { 1292}
   (( segid " 1SG" and resid 101  and name HD22))
   (( segid " 1SG" and resid 101  and name HB2 ))
      4.500     2.500     1.500 peak  1292 spectrum    1 weight  0.10000E+01 volume  0.62024E-03 ppm1      6.724 ppm2      2.692 CV     1
 ASSI { 1293}
   (( segid " 1SG" and resid 101  and name HD21))
   (( segid " 1SG" and resid 101  and name HB2 ))
      3.600     1.600     1.600 peak  1293 spectrum    1 weight  0.10000E+01 volume  0.61974E-03 ppm1      7.469 ppm2      2.694 CV     1
 ASSI { 1295}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 83   and name HA  ))
      3.800     1.800     1.800 peak  1295 spectrum    1 weight  0.10000E+01 volume  0.61770E-03 ppm1     10.109 ppm2      4.613 CV     1
 ASSI { 1296}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB1 ))
      4.500     2.500     1.500 peak  1296 spectrum    1 weight  0.10000E+01 volume  0.61760E-03 ppm1      9.024 ppm2      2.399 CV     1
 OR { 1296}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB2 ))
 ASSI { 1298}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 37   and name HB2 ))
      4.300     2.400     1.700 peak  1298 spectrum    1 weight  0.10000E+01 volume  0.61710E-03 ppm1      8.737 ppm2      1.365 CV     1
 OR { 1298}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 37   and name HG2 ))
 ASSI { 1301}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 106  and name HN  ))
      4.500     2.500     1.500 peak  1301 spectrum    1 weight  0.10000E+01 volume  0.61680E-03 ppm1      8.826 ppm2      8.159 CV     1
 ASSI { 1302}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 84   and name HA  ))
      4.200     2.200     1.800 peak  1302 spectrum    1 weight  0.10000E+01 volume  0.61551E-03 ppm1      8.799 ppm2      4.230 CV     1
 OR { 1302}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 84   and name HB  ))
 ASSI { 1306}
   (( segid " 1SG" and resid 40   and name HN  ))
   (  segid " 1SG" and resid 38   and name HG2%)
      4.300     2.300     1.700 peak  1306 spectrum    1 weight  0.10000E+01 volume  0.61202E-03 ppm1      8.688 ppm2      0.784 CV     1
 ASSI { 1309}
   (( segid " 1SG" and resid 48   and name HN  ))
   (( segid " 1SG" and resid 47   and name HN  ))
      4.300     2.300     1.700 peak  1309 spectrum    1 weight  0.10000E+01 volume  0.61002E-03 ppm1      8.396 ppm2      7.292 CV     1
 ASSI { 1310}
   (( segid " 1SG" and resid 93   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD1%)
      4.200     2.200     1.800 peak  1310 spectrum    1 weight  0.10000E+01 volume  0.60988E-03 ppm1      8.555 ppm2      0.652 CV     1
 ASSI { 1311}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 46   and name HB2 ))
      4.300     2.400     1.700 peak  1311 spectrum    1 weight  0.10000E+01 volume  0.60958E-03 ppm1     10.115 ppm2      3.057 CV     1
 ASSI { 1312}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      4.100     2.100     1.900 peak  1312 spectrum    1 weight  0.10000E+01 volume  0.60833E-03 ppm1      9.149 ppm2      1.436 CV     1
 ASSI { 1314}
   (( segid " 1SG" and resid 42   and name HN  ))
   (( segid " 1SG" and resid 41   and name HN  ))
      4.600     2.700     1.400 peak  1314 spectrum    1 weight  0.10000E+01 volume  0.60684E-03 ppm1      9.445 ppm2      9.310 CV     1
 ASSI { 1315}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 101  and name HA  ))
      4.100     2.100     1.900 peak  1315 spectrum    1 weight  0.10000E+01 volume  0.60674E-03 ppm1      8.979 ppm2      5.507 CV     1
 ASSI { 1317}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 45   and name HA  ))
      4.700     2.800     1.300 peak  1317 spectrum    1 weight  0.10000E+01 volume  0.60454E-03 ppm1     10.118 ppm2      3.497 CV     1
 ASSI { 1319}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 57   and name HA  ))
      4.100     2.100     1.900 peak  1319 spectrum    1 weight  0.10000E+01 volume  0.60365E-03 ppm1      9.150 ppm2      5.401 CV     1
 ASSI { 1320}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 45   and name HE2 ))
      4.100     2.100     1.900 peak  1320 spectrum    1 weight  0.10000E+01 volume  0.60340E-03 ppm1     10.108 ppm2      2.594 CV     1
 ASSI { 1323}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 58   and name HA  ))
      4.000     2.000     2.000 peak  1323 spectrum    1 weight  0.10000E+01 volume  0.60180E-03 ppm1      7.436 ppm2      4.650 CV     1
 ASSI { 1325}
   (( segid " 1SG" and resid 10   and name HN  ))
   (( segid " 1SG" and resid 10   and name HA  ))
      3.700     1.700     1.700 peak  1325 spectrum    1 weight  0.10000E+01 volume  0.59996E-03 ppm1      8.852 ppm2      4.315 CV     1
 ASSI { 1332}
   (( segid " 1SG" and resid 80   and name HN  ))
   (( segid " 1SG" and resid 80   and name HG2 ))
      4.600     2.700     1.400 peak  1332 spectrum    1 weight  0.10000E+01 volume  0.59617E-03 ppm1      5.579 ppm2      2.159 CV     1
 OR { 1332}
   (( segid " 1SG" and resid 80   and name HN  ))
   (( segid " 1SG" and resid 80   and name HG1 ))
 ASSI { 1333}
   (( segid " 1SG" and resid 21   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      4.200     2.200     1.800 peak  1333 spectrum    1 weight  0.10000E+01 volume  0.59542E-03 ppm1      8.168 ppm2      1.177 CV     1
 ASSI { 1335}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 89   and name HA  ))
      4.400     2.400     1.600 peak  1335 spectrum    1 weight  0.10000E+01 volume  0.59398E-03 ppm1      8.689 ppm2      4.943 CV     1
 ASSI { 1341}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 88   and name HA  ))
      3.600     1.600     1.600 peak  1341 spectrum    1 weight  0.10000E+01 volume  0.58819E-03 ppm1      9.108 ppm2      5.308 CV     1
 ASSI { 1347}
   (( segid " 1SG" and resid 29   and name HN  ))
   (( segid " 1SG" and resid 30   and name HN  ))
      3.300     1.300     1.300 peak  1347 spectrum    1 weight  0.10000E+01 volume  0.35905E-02 ppm1      8.854 ppm2      8.595 CV     1
 ASSI { 1348}
   (( segid " 1SG" and resid 102  and name HN  ))
   (( segid " 1SG" and resid 103  and name HN  ))
      3.300     1.300     1.300 peak  1348 spectrum    1 weight  0.10000E+01 volume  0.35924E-02 ppm1      8.557 ppm2      9.245 CV     1
 ASSI { 1349}
   (( segid " 1SG" and resid 42   and name HN  ))
   (( segid " 1SG" and resid 42   and name HA  ))
      2.700     0.900     0.900 peak  1349 spectrum    1 weight  0.10000E+01 volume  0.35905E-02 ppm1      9.447 ppm2      5.780 CV     1
 ASSI { 1351}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 14   and name HN  ))
      3.200     1.300     1.300 peak  1351 spectrum    1 weight  0.10000E+01 volume  0.35905E-02 ppm1      8.317 ppm2      9.191 CV     1
 ASSI { 1352}
   (( segid " 1SG" and resid 94   and name HN  ))
   (( segid " 1SG" and resid 94   and name HB2 ))
      3.200     1.300     1.300 peak  1352 spectrum    1 weight  0.10000E+01 volume  0.35905E-02 ppm1      8.330 ppm2      1.778 CV     1
 ASSI { 1353}
   (( segid " 1SG" and resid 93   and name HN  ))
   (( segid " 1SG" and resid 93   and name HB  ))
      2.700     0.900     0.900 peak  1353 spectrum    1 weight  0.10000E+01 volume  0.35905E-02 ppm1      8.558 ppm2      4.550 CV     1
 ASSI { 1354}
   (( segid " 1SG" and resid 5    and name HN  ))
   (( segid " 1SG" and resid 5    and name HA1 ))
      2.600     0.800     0.800 peak  1354 spectrum    1 weight  0.10000E+01 volume  0.35905E-02 ppm1      8.141 ppm2      3.855 CV     1
 OR { 1354}
   (( segid " 1SG" and resid 5    and name HN  ))
   (( segid " 1SG" and resid 5    and name HA2 ))
 ASSI { 1356}
   (( segid " 1SG" and resid 56   and name HN  ))
   (( segid " 1SG" and resid 56   and name HA  ))
      2.800     1.000     1.000 peak  1356 spectrum    1 weight  0.10000E+01 volume  0.35905E-02 ppm1      8.385 ppm2      4.970 CV     1
 ASSI { 1360}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 98   and name HN  ))
      3.300     1.400     1.400 peak  1360 spectrum    1 weight  0.10000E+01 volume  0.35905E-02 ppm1      8.056 ppm2      8.423 CV     1
 ASSI { 1363}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB1 ))
      3.800     1.800     1.800 peak  1363 spectrum    1 weight  0.10000E+01 volume  0.35943E-02 ppm1      9.288 ppm2      1.696 CV     1
 OR { 1363}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB2 ))
 ASSI { 1365}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 35   and name HB1 ))
      3.200     1.300     1.300 peak  1365 spectrum    1 weight  0.10000E+01 volume  0.35943E-02 ppm1      7.510 ppm2      1.779 CV     1
 OR { 1365}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 35   and name HB2 ))
 ASSI { 1366}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 35   and name HE2 ))
      3.500     1.600     1.600 peak  1366 spectrum    1 weight  0.10000E+01 volume  0.35943E-02 ppm1      7.510 ppm2      2.950 CV     1
 OR { 1366}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 35   and name HE1 ))
 ASSI { 1367}
   (( segid " 1SG" and resid 45   and name HN  ))
   (( segid " 1SG" and resid 45   and name HA  ))
      2.800     1.000     1.000 peak  1367 spectrum    1 weight  0.10000E+01 volume  0.35943E-02 ppm1      8.196 ppm2      3.486 CV     1
 ASSI { 1369}
   (( segid " 1SG" and resid 45   and name HN  ))
   (( segid " 1SG" and resid 45   and name HB2 ))
      2.600     0.800     0.800 peak  1369 spectrum    1 weight  0.10000E+01 volume  0.35943E-02 ppm1      8.195 ppm2      0.606 CV     1
 OR { 1369}
   (( segid " 1SG" and resid 45   and name HN  ))
   (( segid " 1SG" and resid 45   and name HG2 ))
 ASSI { 1371}
   (( segid " 1SG" and resid 94   and name HN  ))
   (( segid " 1SG" and resid 94   and name HA  ))
      2.500     0.800     0.800 peak  1371 spectrum    1 weight  0.10000E+01 volume  0.35943E-02 ppm1      8.337 ppm2      4.042 CV     1
 ASSI { 1373}
   (( segid " 1SG" and resid 18   and name HN  ))
   (  segid " 1SG" and resid 18   and name HG1%)
      3.300     1.300     1.300 peak  1373 spectrum    1 weight  0.10000E+01 volume  0.35943E-02 ppm1      8.005 ppm2      0.992 CV     1
 ASSI { 1374}
   (( segid " 1SG" and resid 53   and name HN  ))
   (  segid " 1SG" and resid 53   and name HG1%)
      3.500     1.600     1.600 peak  1374 spectrum    1 weight  0.10000E+01 volume  0.35943E-02 ppm1      6.764 ppm2      1.120 CV     1
 ASSI { 1376}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 21   and name HB2 ))
      3.600     1.600     1.600 peak  1376 spectrum    1 weight  0.10000E+01 volume  0.35924E-02 ppm1      8.053 ppm2      3.751 CV     1
 ASSI { 1379}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 62   and name HN  ))
      3.600     1.600     1.600 peak  1379 spectrum    1 weight  0.10000E+01 volume  0.35905E-02 ppm1      9.447 ppm2      8.851 CV     1
 ASSI { 1380}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 64   and name HN  ))
      3.200     1.300     1.300 peak  1380 spectrum    1 weight  0.10000E+01 volume  0.35905E-02 ppm1      8.721 ppm2      7.751 CV     1
 ASSI { 1381}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 87   and name HN  ))
      3.200     1.300     1.300 peak  1381 spectrum    1 weight  0.10000E+01 volume  0.35905E-02 ppm1      8.792 ppm2      9.113 CV     1
 ASSI { 1382}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 103  and name HN  ))
      3.300     1.300     1.300 peak  1382 spectrum    1 weight  0.10000E+01 volume  0.35905E-02 ppm1      8.792 ppm2      9.235 CV     1
 ASSI { 1384}
   (( segid " 1SG" and resid 98   and name HN  ))
   (( segid " 1SG" and resid 98   and name HA  ))
      2.800     1.000     1.000 peak  1384 spectrum    1 weight  0.10000E+01 volume  0.35905E-02 ppm1      8.417 ppm2      4.696 CV     1
 ASSI { 1385}
   (( segid " 1SG" and resid 80   and name HN  ))
   (( segid " 1SG" and resid 80   and name HA  ))
      2.700     0.900     0.900 peak  1385 spectrum    1 weight  0.10000E+01 volume  0.35905E-02 ppm1      5.581 ppm2      4.644 CV     1
 ASSI { 1386}
   (( segid " 1SG" and resid 12   and name HN  ))
   (( segid " 1SG" and resid 12   and name HA  ))
      2.700     0.900     0.900 peak  1386 spectrum    1 weight  0.10000E+01 volume  0.35905E-02 ppm1      8.345 ppm2      4.679 CV     1
 ASSI { 1391}
   (( segid " 1SG" and resid 101  and name HN  ))
   (( segid " 1SG" and resid 101  and name HA  ))
      2.700     0.900     0.900 peak  1391 spectrum    1 weight  0.10000E+01 volume  0.35905E-02 ppm1      9.044 ppm2      5.506 CV     1
 ASSI { 1393}
   (( segid " 1SG" and resid 91   and name HN  ))
   (( segid " 1SG" and resid 90   and name HA  ))
      2.600     0.800     0.800 peak  1393 spectrum    1 weight  0.10000E+01 volume  0.35905E-02 ppm1      8.474 ppm2      4.789 CV     1
 ASSI { 1395}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 49   and name HN  ))
      2.900     1.000     1.000 peak  1395 spectrum    1 weight  0.10000E+01 volume  0.35905E-02 ppm1      8.632 ppm2      9.291 CV     1
 ASSI { 1397}
   (( segid " 1SG" and resid 33   and name HN  ))
   (( segid " 1SG" and resid 33   and name HA  ))
      2.700     0.900     0.900 peak  1397 spectrum    1 weight  0.10000E+01 volume  0.35905E-02 ppm1      7.614 ppm2      4.456 CV     1
 ASSI { 1398}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 40   and name HN  ))
      3.300     1.300     1.300 peak  1398 spectrum    1 weight  0.10000E+01 volume  0.35905E-02 ppm1      9.308 ppm2      8.696 CV     1
 ASSI { 1399}
   (( segid " 1SG" and resid 6    and name HN  ))
   (( segid " 1SG" and resid 5    and name HN  ))
      2.200     0.600     0.600 peak  1399 spectrum    1 weight  0.10000E+01 volume  0.35925E-02 ppm1      8.450 ppm2      8.143 CV     1
 ASSI { 1400}
   (( segid " 1SG" and resid 8    and name HN  ))
   (( segid " 1SG" and resid 29   and name HN  ))
      2.800     1.000     1.000 peak  1400 spectrum    1 weight  0.10000E+01 volume  0.35925E-02 ppm1      9.053 ppm2      8.853 CV     1
 ASSI { 1401}
   (( segid " 1SG" and resid 7    and name HN  ))
   (( segid " 1SG" and resid 8    and name HN  ))
      3.000     1.100     1.100 peak  1401 spectrum    1 weight  0.10000E+01 volume  0.35925E-02 ppm1      8.874 ppm2      9.052 CV     1
 ASSI { 1403}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 103  and name HN  ))
      3.100     1.200     1.200 peak  1403 spectrum    1 weight  0.10000E+01 volume  0.35925E-02 ppm1      8.312 ppm2      9.240 CV     1
 ASSI { 1406}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 48   and name HN  ))
      3.200     1.300     1.300 peak  1406 spectrum    1 weight  0.10000E+01 volume  0.35925E-02 ppm1      9.290 ppm2      8.397 CV     1
 ASSI { 1407}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 50   and name HN  ))
      3.300     1.400     1.400 peak  1407 spectrum    1 weight  0.10000E+01 volume  0.35925E-02 ppm1      7.786 ppm2      8.941 CV     1
 ASSI { 1408}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 51   and name HN  ))
      3.500     1.500     1.500 peak  1408 spectrum    1 weight  0.10000E+01 volume  0.35925E-02 ppm1      6.764 ppm2      7.881 CV     1
 ASSI { 1409}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 51   and name HA  ))
      3.000     1.100     1.100 peak  1409 spectrum    1 weight  0.10000E+01 volume  0.35925E-02 ppm1      7.784 ppm2      4.557 CV     1
 ASSI { 1411}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 58   and name HN  ))
      3.100     1.200     1.200 peak  1411 spectrum    1 weight  0.10000E+01 volume  0.35925E-02 ppm1      7.198 ppm2      8.954 CV     1
 ASSI { 1412}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 60   and name HN  ))
      3.200     1.300     1.300 peak  1412 spectrum    1 weight  0.10000E+01 volume  0.35925E-02 ppm1      9.151 ppm2      8.693 CV     1
 ASSI { 1413}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 64   and name HN  ))
      3.300     1.400     1.400 peak  1413 spectrum    1 weight  0.10000E+01 volume  0.35925E-02 ppm1      8.305 ppm2      7.754 CV     1
 ASSI { 1414}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 70   and name HN  ))
      3.200     1.300     1.300 peak  1414 spectrum    1 weight  0.10000E+01 volume  0.35925E-02 ppm1      8.724 ppm2      9.271 CV     1
 ASSI { 1417}
   (( segid " 1SG" and resid 72   and name HN  ))
   (( segid " 1SG" and resid 28   and name HN  ))
      3.300     1.400     1.400 peak  1417 spectrum    1 weight  0.10000E+01 volume  0.35924E-02 ppm1      9.295 ppm2      9.670 CV     1
 ASSI { 1419}
   (( segid " 1SG" and resid 76   and name HN  ))
   (( segid " 1SG" and resid 76   and name HA  ))
      2.600     0.800     0.800 peak  1419 spectrum    1 weight  0.10000E+01 volume  0.35924E-02 ppm1      8.925 ppm2      4.988 CV     1
 ASSI { 1420}
   (( segid " 1SG" and resid 84   and name HN  ))
   (( segid " 1SG" and resid 83   and name HA  ))
      2.700     0.900     0.900 peak  1420 spectrum    1 weight  0.10000E+01 volume  0.35924E-02 ppm1      7.866 ppm2      4.601 CV     1
 ASSI { 1422}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 100  and name HN  ))
      2.700     0.900     0.900 peak  1422 spectrum    1 weight  0.10000E+01 volume  0.35924E-02 ppm1      8.979 ppm2      8.906 CV     1
 ASSI { 1423}
   (( segid " 1SG" and resid 91   and name HN  ))
   (( segid " 1SG" and resid 91   and name HA  ))
      2.600     0.900     0.900 peak  1423 spectrum    1 weight  0.10000E+01 volume  0.35924E-02 ppm1      8.474 ppm2      4.739 CV     1
 ASSI { 1424}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 97   and name HN  ))
      3.100     1.200     1.200 peak  1424 spectrum    1 weight  0.10000E+01 volume  0.35924E-02 ppm1      7.549 ppm2      8.059 CV     1
 ASSI { 1426}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 15   and name HA  ))
      2.600     0.800     0.800 peak  1426 spectrum    1 weight  0.10000E+01 volume  0.35924E-02 ppm1      8.399 ppm2      5.489 CV     1
 ASSI { 1428}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 104  and name HN  ))
      3.200     1.300     1.300 peak  1428 spectrum    1 weight  0.10000E+01 volume  0.35924E-02 ppm1      8.400 ppm2      8.792 CV     1
 ASSI { 1429}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 105  and name HN  ))
      3.000     1.100     1.100 peak  1429 spectrum    1 weight  0.10000E+01 volume  0.35924E-02 ppm1      8.150 ppm2      8.402 CV     1
 ASSI { 1430}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 85   and name HN  ))
      3.100     1.200     1.200 peak  1430 spectrum    1 weight  0.10000E+01 volume  0.35924E-02 ppm1      8.149 ppm2      9.408 CV     1
 ASSI { 1433}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 106  and name HA  ))
      2.600     0.800     0.800 peak  1433 spectrum    1 weight  0.10000E+01 volume  0.35924E-02 ppm1      8.151 ppm2      4.725 CV     1
 ASSI { 1434}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 65   and name HA  ))
      3.100     1.200     1.200 peak  1434 spectrum    1 weight  0.10000E+01 volume  0.35924E-02 ppm1      6.900 ppm2      3.449 CV     1
 ASSI { 1435}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 78   and name HN  ))
      3.800     1.800     1.800 peak  1435 spectrum    1 weight  0.10000E+01 volume  0.35924E-02 ppm1      8.889 ppm2      8.054 CV     1
 ASSI { 1437}
   (( segid " 1SG" and resid 19   and name HN  ))
   (( segid " 1SG" and resid 20   and name HA1 ))
      3.800     1.800     1.800 peak  1437 spectrum    1 weight  0.10000E+01 volume  0.35924E-02 ppm1      9.827 ppm2      3.729 CV     1
 ASSI { 1438}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 37   and name HA  ))
      3.200     1.300     1.300 peak  1438 spectrum    1 weight  0.10000E+01 volume  0.35924E-02 ppm1      8.735 ppm2      4.487 CV     1
 ASSI { 1439}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 39   and name HA  ))
      3.300     1.300     1.300 peak  1439 spectrum    1 weight  0.10000E+01 volume  0.35924E-02 ppm1      8.735 ppm2      4.801 CV     1
 ASSI { 1440}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 43   and name HA  ))
      3.100     1.200     1.200 peak  1440 spectrum    1 weight  0.10000E+01 volume  0.35924E-02 ppm1      9.108 ppm2      4.132 CV     1
 ASSI { 1441}
   (( segid " 1SG" and resid 86   and name HN  ))
   (( segid " 1SG" and resid 103  and name HA  ))
      3.100     1.200     1.200 peak  1441 spectrum    1 weight  0.10000E+01 volume  0.35924E-02 ppm1      7.948 ppm2      5.544 CV     1
 ASSI { 1442}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 48   and name HA  ))
      2.700     0.900     0.900 peak  1442 spectrum    1 weight  0.10000E+01 volume  0.35924E-02 ppm1      8.628 ppm2      4.192 CV     1
 ASSI { 1443}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 86   and name HA2 ))
      3.100     1.200     1.200 peak  1443 spectrum    1 weight  0.10000E+01 volume  0.35924E-02 ppm1      8.796 ppm2      4.658 CV     1
 ASSI { 1445}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 102  and name HA  ))
      3.100     1.200     1.200 peak  1445 spectrum    1 weight  0.10000E+01 volume  0.35924E-02 ppm1      8.313 ppm2      4.987 CV     1
 ASSI { 1446}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 9    and name HB2 ))
      2.800     1.000     1.000 peak  1446 spectrum    1 weight  0.10000E+01 volume  0.35943E-02 ppm1      7.887 ppm2      1.892 CV     1
 ASSI { 1447}
   (( segid " 1SG" and resid 80   and name HN  ))
   (( segid " 1SG" and resid 80   and name HB1 ))
      2.600     0.800     0.800 peak  1447 spectrum    1 weight  0.10000E+01 volume  0.35943E-02 ppm1      5.579 ppm2      1.960 CV     1
 OR { 1447}
   (( segid " 1SG" and resid 80   and name HN  ))
   (( segid " 1SG" and resid 80   and name HB2 ))
 ASSI { 1448}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 23   and name HN  ))
      3.300     1.300     1.300 peak  1448 spectrum    1 weight  0.10000E+01 volume  0.35943E-02 ppm1      9.239 ppm2      7.917 CV     1
 ASSI { 1449}
   (( segid " 1SG" and resid 42   and name HN  ))
   (( segid " 1SG" and resid 41   and name HD1 ))
      3.700     3.700     2.300 peak  1449 spectrum    1 weight  0.10000E+01 volume  0.35943E-02 ppm1      9.447 ppm2      7.131 CV     1
 ASSI { 1450}
   (( segid " 1SG" and resid 46   and name HN  ))
   (( segid " 1SG" and resid 46   and name HD1 ))
      2.500     0.800     0.800 peak  1450 spectrum    1 weight  0.10000E+01 volume  0.35943E-02 ppm1      8.216 ppm2      7.132 CV     1
 ASSI { 1452}
   (( segid " 1SG" and resid 56   and name HN  ))
   (( segid " 1SG" and resid 56   and name HB2 ))
      3.300     1.400     1.400 peak  1452 spectrum    1 weight  0.10000E+01 volume  0.35943E-02 ppm1      8.383 ppm2      3.101 CV     1
 ASSI { 1453}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 103  and name HB2 ))
      3.000     3.000     3.000 peak  1453 spectrum    1 weight  0.10000E+01 volume  0.35943E-02 ppm1      9.184 ppm2      2.498 CV     1
 ASSI { 1455}
   (( segid " 1SG" and resid 86   and name HN  ))
   (  segid " 1SG" and resid 87   and name HD% )
      2.900     1.100     1.100 peak  1455 spectrum    1 weight  0.10000E+01 volume  0.35943E-02 ppm1      7.948 ppm2      6.794 CV     1
 ASSI { 1456}
   (( segid " 1SG" and resid 86   and name HN  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      3.100     3.100     2.900 peak  1456 spectrum    1 weight  0.10000E+01 volume  0.35943E-02 ppm1      7.946 ppm2      1.498 CV     1
 ASSI { 1458}
   (( segid " 1SG" and resid 5    and name HN  ))
   (( segid " 1SG" and resid 96   and name HB2 ))
      3.500     1.500     1.500 peak  1458 spectrum    1 weight  0.10000E+01 volume  0.35943E-02 ppm1      8.144 ppm2      1.572 CV     1
 ASSI { 1459}
   (( segid " 1SG" and resid 5    and name HN  ))
   (( segid " 1SG" and resid 4    and name HG12))
      3.600     1.600     1.600 peak  1459 spectrum    1 weight  0.10000E+01 volume  0.35943E-02 ppm1      8.143 ppm2      1.230 CV     1
 ASSI { 1460}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 64   and name HB2 ))
      3.100     1.200     1.200 peak  1460 spectrum    1 weight  0.10000E+01 volume  0.35943E-02 ppm1      7.421 ppm2      2.339 CV     1
 ASSI { 1461}
   (( segid " 1SG" and resid 20   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.500     1.500     1.500 peak  1461 spectrum    1 weight  0.10000E+01 volume  0.35943E-02 ppm1      8.824 ppm2      0.376 CV     1
 ASSI { 1462}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 18   and name HN  ))
      3.300     3.300     2.700 peak  1462 spectrum    1 weight  0.10000E+01 volume  0.35943E-02 ppm1      8.828 ppm2      8.005 CV     1
 ASSI { 1463}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 63   and name HN  ))
      3.300     1.300     1.300 peak  1463 spectrum    1 weight  0.10000E+01 volume  0.35943E-02 ppm1      8.848 ppm2      8.521 CV     1
 ASSI { 1465}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 95   and name HB2 ))
      2.600     0.800     0.800 peak  1465 spectrum    1 weight  0.10000E+01 volume  0.35943E-02 ppm1      7.971 ppm2      2.631 CV     1
 ASSI { 1466}
   (( segid " 1SG" and resid 95   and name HN  ))
   (  segid " 1SG" and resid 93   and name HG2%)
      2.200     2.200     3.800 peak  1466 spectrum    1 weight  0.10000E+01 volume  0.35943E-02 ppm1      7.969 ppm2      1.024 CV     1
 ASSI { 1468}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 80   and name HG1 ))
      2.800     1.000     1.000 peak  1468 spectrum    1 weight  0.10000E+01 volume  0.35943E-02 ppm1      8.254 ppm2      2.168 CV     1
 OR { 1468}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 80   and name HG2 ))
 ASSI { 1469}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 106  and name HB  ))
      3.200     1.300     1.300 peak  1469 spectrum    1 weight  0.10000E+01 volume  0.35943E-02 ppm1      8.253 ppm2      1.861 CV     1
 ASSI { 1471}
   (( segid " 1SG" and resid 83   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.200     1.300     1.300 peak  1471 spectrum    1 weight  0.10000E+01 volume  0.35943E-02 ppm1      8.254 ppm2      0.372 CV     1
 ASSI { 1472}
   (( segid " 1SG" and resid 93   and name HN  ))
   (  segid " 1SG" and resid 97   and name HD% )
      3.400     1.400     1.400 peak  1472 spectrum    1 weight  0.10000E+01 volume  0.35943E-02 ppm1      8.557 ppm2      7.094 CV     1
 ASSI { 1473}
   (( segid " 1SG" and resid 93   and name HN  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      2.900     1.100     1.100 peak  1473 spectrum    1 weight  0.10000E+01 volume  0.35943E-02 ppm1      8.557 ppm2      0.177 CV     1
 ASSI { 1476}
   (( segid " 1SG" and resid 85   and name HN  ))
   (( segid " 1SG" and resid 104  and name HB2 ))
      3.300     1.400     1.400 peak  1476 spectrum    1 weight  0.10000E+01 volume  0.35943E-02 ppm1      9.406 ppm2      1.227 CV     1
 ASSI { 1477}
   (( segid " 1SG" and resid 85   and name HN  ))
   (( segid " 1SG" and resid 103  and name HA  ))
      3.400     3.400     2.600 peak  1477 spectrum    1 weight  0.10000E+01 volume  0.35943E-02 ppm1      9.405 ppm2      5.536 CV     1
 ASSI { 1478}
   (( segid " 1SG" and resid 25   and name HN  ))
   (  segid " 1SG" and resid 23   and name HG2%)
      3.200     1.300     1.300 peak  1478 spectrum    1 weight  0.10000E+01 volume  0.35943E-02 ppm1      8.401 ppm2      0.771 CV     1
 ASSI { 1480}
   (( segid " 1SG" and resid 44   and name HN  ))
   (  segid " 1SG" and resid 87   and name HD% )
      2.700     0.900     0.900 peak  1480 spectrum    1 weight  0.10000E+01 volume  0.35943E-02 ppm1      8.211 ppm2      6.801 CV     1
 ASSI { 1482}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 43   and name HD2 ))
      3.600     1.600     1.600 peak  1482 spectrum    1 weight  0.10000E+01 volume  0.35943E-02 ppm1      8.212 ppm2      1.314 CV     1
 OR { 1482}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 43   and name HD1 ))
 ASSI { 1484}
   (( segid " 1SG" and resid 51   and name HN  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      3.100     1.200     1.200 peak  1484 spectrum    1 weight  0.10000E+01 volume  0.35943E-02 ppm1      7.879 ppm2      1.071 CV     1
 ASSI { 1485}
   (( segid " 1SG" and resid 51   and name HN  ))
   (( segid " 1SG" and resid 52   and name HB2 ))
      3.500     1.500     1.500 peak  1485 spectrum    1 weight  0.10000E+01 volume  0.35943E-02 ppm1      7.881 ppm2      1.710 CV     1
 ASSI { 1486}
   (( segid " 1SG" and resid 7    and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.600     1.600     1.600 peak  1486 spectrum    1 weight  0.10000E+01 volume  0.35943E-02 ppm1      8.875 ppm2      0.469 CV     1
 ASSI { 1488}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 48   and name HB2 ))
      3.000     1.100     1.100 peak  1488 spectrum    1 weight  0.10000E+01 volume  0.35943E-02 ppm1      8.940 ppm2      2.935 CV     1
 ASSI { 1489}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 51   and name HA  ))
      3.500     1.500     1.500 peak  1489 spectrum    1 weight  0.10000E+01 volume  0.35943E-02 ppm1      8.941 ppm2      4.555 CV     1
 ASSI { 1490}
   (( segid " 1SG" and resid 69   and name HN  ))
   (  segid " 1SG" and resid 63   and name HD% )
      2.900     2.900     3.100 peak  1490 spectrum    1 weight  0.10000E+01 volume  0.35943E-02 ppm1      6.899 ppm2      5.903 CV     1
 ASSI { 1491}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 67   and name HA  ))
      3.400     1.400     1.400 peak  1491 spectrum    1 weight  0.10000E+01 volume  0.35943E-02 ppm1      6.897 ppm2      4.292 CV     1
 ASSI { 1494}
   (( segid " 1SG" and resid 83   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      3.400     1.500     1.500 peak  1494 spectrum    1 weight  0.10000E+01 volume  0.35943E-02 ppm1      8.257 ppm2      1.183 CV     1
 ASSI { 1495}
   (( segid " 1SG" and resid 70   and name HN  ))
   (  segid " 1SG" and resid 28   and name HG2%)
      3.300     1.300     1.300 peak  1495 spectrum    1 weight  0.10000E+01 volume  0.35943E-02 ppm1      9.272 ppm2      0.629 CV     1
 ASSI { 1497}
   (( segid " 1SG" and resid 70   and name HN  ))
   (  segid " 1SG" and resid 70   and name HE% )
      3.300     1.400     1.400 peak  1497 spectrum    1 weight  0.10000E+01 volume  0.35943E-02 ppm1      9.270 ppm2      6.632 CV     1
 ASSI { 1498}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 100  and name HN  ))
      3.300     1.400     1.400 peak  1498 spectrum    1 weight  0.10000E+01 volume  0.35943E-02 ppm1      9.228 ppm2      8.896 CV     1
 ASSI { 1499}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 98   and name HN  ))
      3.300     1.400     1.400 peak  1499 spectrum    1 weight  0.10000E+01 volume  0.35943E-02 ppm1      9.228 ppm2      8.427 CV     1
 ASSI { 1501}
   (( segid " 1SG" and resid 80   and name HN  ))
   (  segid " 1SG" and resid 83   and name HE% )
      3.000     1.100     1.100 peak  1501 spectrum    1 weight  0.10000E+01 volume  0.35944E-02 ppm1      5.580 ppm2      7.264 CV     1
 ASSI { 1503}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 34   and name HN  ))
      2.500     0.800     0.800 peak  1503 spectrum    1 weight  0.10000E+01 volume  0.35944E-02 ppm1      7.510 ppm2      8.687 CV     1
 ASSI { 1504}
   (( segid " 1SG" and resid 92   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.300     1.300     1.300 peak  1504 spectrum    1 weight  0.10000E+01 volume  0.35944E-02 ppm1      8.734 ppm2      0.473 CV     1
 ASSI { 1505}
   (( segid " 1SG" and resid 92   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG1%)
      2.200     2.200     3.800 peak  1505 spectrum    1 weight  0.10000E+01 volume  0.35944E-02 ppm1      8.735 ppm2     -0.083 CV     1
 ASSI { 1506}
   (( segid " 1SG" and resid 19   and name HN  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      3.000     1.100     1.100 peak  1506 spectrum    1 weight  0.10000E+01 volume  0.35944E-02 ppm1      9.827 ppm2      0.599 CV     1
 ASSI { 1507}
   (( segid " 1SG" and resid 42   and name HN  ))
   (  segid " 1SG" and resid 49   and name HD2%)
      3.300     1.400     1.400 peak  1507 spectrum    1 weight  0.10000E+01 volume  0.35944E-02 ppm1      9.445 ppm2      1.011 CV     1
 ASSI { 1510}
   (( segid " 1SG" and resid 42   and name HN  ))
   (( segid " 1SG" and resid 41   and name HB2 ))
      3.300     1.400     1.400 peak  1510 spectrum    1 weight  0.10000E+01 volume  0.35944E-02 ppm1      9.448 ppm2      3.149 CV     1
 ASSI { 1511}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 103  and name HD21))
      3.000     1.100     1.100 peak  1511 spectrum    1 weight  0.10000E+01 volume  0.35944E-02 ppm1      9.241 ppm2      7.722 CV     1
 ASSI { 1513}
   (( segid " 1SG" and resid 79   and name HN  ))
   (  segid " 1SG" and resid 83   and name HE% )
      3.500     3.500     2.500 peak  1513 spectrum    1 weight  0.10000E+01 volume  0.35944E-02 ppm1      8.973 ppm2      7.265 CV     1
 ASSI { 1514}
   (( segid " 1SG" and resid 79   and name HN  ))
   (  segid " 1SG" and resid 83   and name HD% )
      3.700     1.700     1.700 peak  1514 spectrum    1 weight  0.10000E+01 volume  0.35944E-02 ppm1      8.973 ppm2      7.109 CV     1
 ASSI { 1515}
   (( segid " 1SG" and resid 79   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.100     1.200     1.200 peak  1515 spectrum    1 weight  0.10000E+01 volume  0.35944E-02 ppm1      8.973 ppm2      0.382 CV     1
 ASSI { 1518}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HD1 ))
      3.400     1.500     1.500 peak  1518 spectrum    1 weight  0.10000E+01 volume  0.35944E-02 ppm1      8.896 ppm2      3.106 CV     1
 OR { 1518}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HD2 ))
 ASSI { 1519}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 9    and name HG2 ))
      3.100     1.200     1.200 peak  1519 spectrum    1 weight  0.10000E+01 volume  0.35944E-02 ppm1      8.892 ppm2      2.504 CV     1
 ASSI { 1520}
   (( segid " 1SG" and resid 100  and name HN  ))
   (( segid " 1SG" and resid 89   and name HB2 ))
      3.000     1.100     1.100 peak  1520 spectrum    1 weight  0.10000E+01 volume  0.35944E-02 ppm1      8.895 ppm2      2.307 CV     1
 ASSI { 1521}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HG1 ))
      2.700     0.900     0.900 peak  1521 spectrum    1 weight  0.10000E+01 volume  0.35944E-02 ppm1      8.890 ppm2      1.675 CV     1
 OR { 1521}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HG2 ))
 ASSI { 1522}
   (( segid " 1SG" and resid 27   and name HN  ))
   (  segid " 1SG" and resid 28   and name HG2%)
      2.900     2.900     3.100 peak  1522 spectrum    1 weight  0.10000E+01 volume  0.35944E-02 ppm1      8.891 ppm2      0.632 CV     1
 ASSI { 1523}
   (( segid " 1SG" and resid 94   and name HN  ))
   (( segid " 1SG" and resid 93   and name HB  ))
      2.600     0.900     0.900 peak  1523 spectrum    1 weight  0.10000E+01 volume  0.35944E-02 ppm1      8.338 ppm2      4.555 CV     1
 ASSI { 1526}
   (( segid " 1SG" and resid 17   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.100     3.100     2.900 peak  1526 spectrum    1 weight  0.10000E+01 volume  0.35944E-02 ppm1      7.898 ppm2      0.371 CV     1
 ASSI { 1527}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 61   and name HB2 ))
      3.900     1.900     1.900 peak  1527 spectrum    1 weight  0.10000E+01 volume  0.35944E-02 ppm1      9.450 ppm2      2.295 CV     1
 ASSI { 1530}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 60   and name HA  ))
      3.000     3.000     3.000 peak  1530 spectrum    1 weight  0.10000E+01 volume  0.35944E-02 ppm1      9.450 ppm2      5.073 CV     1
 ASSI { 1534}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 16   and name HB  ))
      3.400     3.400     2.600 peak  1534 spectrum    1 weight  0.10000E+01 volume  0.35944E-02 ppm1      8.502 ppm2      1.802 CV     1
 ASSI { 1535}
   (( segid " 1SG" and resid 38   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG2%)
      3.100     1.200     1.200 peak  1535 spectrum    1 weight  0.10000E+01 volume  0.35944E-02 ppm1      8.374 ppm2     -0.453 CV     1
 ASSI { 1537}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 68   and name HA  ))
      3.900     1.900     1.900 peak  1537 spectrum    1 weight  0.10000E+01 volume  0.35944E-02 ppm1      8.106 ppm2      3.600 CV     1
 ASSI { 1538}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 65   and name HD1 ))
      2.200     2.200     3.800 peak  1538 spectrum    1 weight  0.10000E+01 volume  0.35944E-02 ppm1      8.106 ppm2      3.228 CV     1
 OR { 1538}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 65   and name HD2 ))
 ASSI { 1539}
   (( segid " 1SG" and resid 84   and name HN  ))
   (  segid " 1SG" and resid 83   and name HD% )
      3.500     1.600     1.600 peak  1539 spectrum    1 weight  0.10000E+01 volume  0.35944E-02 ppm1      7.866 ppm2      7.112 CV     1
 ASSI { 1540}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 74   and name HA  ))
      3.300     1.400     1.400 peak  1540 spectrum    1 weight  0.10000E+01 volume  0.35944E-02 ppm1      8.940 ppm2      4.324 CV     1
 ASSI { 1542}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 22   and name HG12))
      3.500     1.500     1.500 peak  1542 spectrum    1 weight  0.10000E+01 volume  0.35944E-02 ppm1      8.888 ppm2      0.075 CV     1
 ASSI { 1543}
   (( segid " 1SG" and resid 104  and name HN  ))
   (  segid " 1SG" and resid 106  and name HG1%)
      3.300     3.300     2.700 peak  1543 spectrum    1 weight  0.10000E+01 volume  0.35944E-02 ppm1      8.793 ppm2      0.667 CV     1
 ASSI { 1549}
   (( segid " 1SG" and resid 26   and name HN  ))
   (( segid " 1SG" and resid 27   and name HN  ))
      3.200     1.300     1.300 peak  1549 spectrum    1 weight  0.10000E+01 volume  0.35944E-02 ppm1      9.498 ppm2      8.892 CV     1
 ASSI { 1550}
   (( segid " 1SG" and resid 26   and name HN  ))
   (  segid " 1SG" and resid 72   and name HD% )
      3.400     3.400     2.600 peak  1550 spectrum    1 weight  0.10000E+01 volume  0.35944E-02 ppm1      9.498 ppm2      7.311 CV     1
 ASSI { 1551}
   (( segid " 1SG" and resid 26   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD2%)
      3.300     1.400     1.400 peak  1551 spectrum    1 weight  0.10000E+01 volume  0.35944E-02 ppm1      9.495 ppm2      0.760 CV     1
 ASSI { 1552}
   (( segid " 1SG" and resid 41   and name HN  ))
   (  segid " 1SG" and resid 49   and name HD2%)
      3.600     1.600     1.600 peak  1552 spectrum    1 weight  0.10000E+01 volume  0.35944E-02 ppm1      9.306 ppm2      1.018 CV     1
 ASSI { 1553}
   (( segid " 1SG" and resid 41   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD1%)
      3.200     1.300     1.300 peak  1553 spectrum    1 weight  0.10000E+01 volume  0.35944E-02 ppm1      9.307 ppm2      0.856 CV     1
 ASSI { 1554}
   (( segid " 1SG" and resid 41   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD2%)
      3.500     1.600     1.600 peak  1554 spectrum    1 weight  0.10000E+01 volume  0.35944E-02 ppm1      9.307 ppm2      0.688 CV     1
 ASSI { 1555}
   (( segid " 1SG" and resid 41   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG1%)
      3.100     1.200     1.200 peak  1555 spectrum    1 weight  0.10000E+01 volume  0.35944E-02 ppm1      9.308 ppm2     -0.081 CV     1
 ASSI { 1557}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 74   and name HB2 ))
      2.300     0.700     0.700 peak  1557 spectrum    1 weight  0.10000E+01 volume  0.35944E-02 ppm1      9.237 ppm2     -0.838 CV     1
 ASSI { 1560}
   (( segid " 1SG" and resid 76   and name HN  ))
   (  segid " 1SG" and resid 76   and name HD1%)
      3.300     1.400     1.400 peak  1560 spectrum    1 weight  0.10000E+01 volume  0.35944E-02 ppm1      8.926 ppm2      0.649 CV     1
 ASSI { 1561}
   (( segid " 1SG" and resid 76   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD1%)
      3.500     1.600     1.600 peak  1561 spectrum    1 weight  0.10000E+01 volume  0.35944E-02 ppm1      8.926 ppm2      0.405 CV     1
 OR { 1561}
   (( segid " 1SG" and resid 76   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD2%)
 ASSI { 1563}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 90   and name HB2 ))
      3.000     1.200     1.200 peak  1563 spectrum    1 weight  0.10000E+01 volume  0.35944E-02 ppm1      8.696 ppm2      2.025 CV     1
 ASSI { 1564}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 40   and name HD2 ))
      3.500     1.500     1.500 peak  1564 spectrum    1 weight  0.10000E+01 volume  0.35944E-02 ppm1      8.694 ppm2      1.685 CV     1
 OR { 1564}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 40   and name HD1 ))
 ASSI { 1565}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 40   and name HG2 ))
      2.400     0.700     0.700 peak  1565 spectrum    1 weight  0.10000E+01 volume  0.35944E-02 ppm1      8.694 ppm2      1.238 CV     1
 OR { 1565}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 40   and name HG1 ))
 ASSI { 1566}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 41   and name HH2 ))
      2.900     2.900     3.100 peak  1566 spectrum    1 weight  0.10000E+01 volume  0.35944E-02 ppm1      8.470 ppm2      6.611 CV     1
 ASSI { 1570}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 75   and name HN  ))
      3.300     1.400     1.400 peak  1570 spectrum    1 weight  0.10000E+01 volume  0.35944E-02 ppm1      8.471 ppm2      9.160 CV     1
 ASSI { 1572}
   (( segid " 1SG" and resid 8    and name HN  ))
   (  segid " 1SG" and resid 28   and name HG1%)
      3.200     1.300     1.300 peak  1572 spectrum    1 weight  0.10000E+01 volume  0.35944E-02 ppm1      9.052 ppm2      0.818 CV     1
 ASSI { 1573}
   (( segid " 1SG" and resid 8    and name HN  ))
   (  segid " 1SG" and resid 29   and name HB% )
      3.500     1.600     1.600 peak  1573 spectrum    1 weight  0.10000E+01 volume  0.35944E-02 ppm1      9.052 ppm2      1.513 CV     1
 ASSI { 1574}
   (( segid " 1SG" and resid 8    and name HN  ))
   (( segid " 1SG" and resid 7    and name HB2 ))
      3.500     1.600     1.600 peak  1574 spectrum    1 weight  0.10000E+01 volume  0.35944E-02 ppm1      9.052 ppm2      2.577 CV     1
 ASSI { 1576}
   (( segid " 1SG" and resid 87   and name HN  ))
   (  segid " 1SG" and resid 87   and name HE% )
      3.700     1.700     1.700 peak  1576 spectrum    1 weight  0.10000E+01 volume  0.35944E-02 ppm1      9.114 ppm2      6.589 CV     1
 ASSI { 1577}
   (( segid " 1SG" and resid 31   and name HN  ))
   (( segid " 1SG" and resid 29   and name HA  ))
      3.100     1.200     1.200 peak  1577 spectrum    1 weight  0.10000E+01 volume  0.35944E-02 ppm1      8.417 ppm2      4.392 CV     1
 ASSI { 1578}
   (( segid " 1SG" and resid 31   and name HN  ))
   (( segid " 1SG" and resid 30   and name HA1 ))
      2.600     0.800     0.800 peak  1578 spectrum    1 weight  0.10000E+01 volume  0.35944E-02 ppm1      8.418 ppm2      3.945 CV     1
 ASSI { 1579}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 62   and name HA  ))
      2.900     2.900     3.100 peak  1579 spectrum    1 weight  0.10000E+01 volume  0.35944E-02 ppm1      8.722 ppm2      4.598 CV     1
 ASSI { 1582}
   (( segid " 1SG" and resid 10   and name HN  ))
   (( segid " 1SG" and resid 9    and name HB2 ))
      3.400     1.500     1.500 peak  1582 spectrum    1 weight  0.10000E+01 volume  0.35944E-02 ppm1      8.852 ppm2      1.895 CV     1
 ASSI { 1583}
   (( segid " 1SG" and resid 10   and name HN  ))
   (( segid " 1SG" and resid 100  and name HB2 ))
      3.300     3.300     2.700 peak  1583 spectrum    1 weight  0.10000E+01 volume  0.35944E-02 ppm1      8.852 ppm2      2.963 CV     1
 ASSI { 1584}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (( segid " 1SG" and resid 41   and name HH2 ))
      3.500     1.600     1.600 peak  1584 spectrum    1 weight  0.10000E+01 volume  0.35944E-02 ppm1     10.779 ppm2      6.612 CV     1
 ASSI { 1585}
   (( segid " 1SG" and resid 21   and name HN  ))
   (( segid " 1SG" and resid 21   and name HB2 ))
      2.900     1.100     1.100 peak  1585 spectrum    1 weight  0.10000E+01 volume  0.35944E-02 ppm1      8.170 ppm2      3.751 CV     1
 ASSI { 1586}
   (( segid " 1SG" and resid 23   and name HN  ))
   (  segid " 1SG" and resid 104  and name HD1%)
      3.400     1.400     1.400 peak  1586 spectrum    1 weight  0.10000E+01 volume  0.35944E-02 ppm1      7.914 ppm2      0.954 CV     1
 ASSI { 1587}
   (( segid " 1SG" and resid 23   and name HN  ))
   (  segid " 1SG" and resid 22   and name HG2%)
      3.300     1.400     1.400 peak  1587 spectrum    1 weight  0.10000E+01 volume  0.35944E-02 ppm1      7.913 ppm2      0.580 CV     1
 ASSI { 1588}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      2.600     0.900     0.900 peak  1588 spectrum    1 weight  0.10000E+01 volume  0.35944E-02 ppm1      9.673 ppm2      2.815 CV     1
 ASSI { 1589}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 37   and name HB2 ))
      2.900     2.900     3.100 peak  1589 spectrum    1 weight  0.10000E+01 volume  0.35944E-02 ppm1      7.892 ppm2      1.363 CV     1
 OR { 1589}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 37   and name HG2 ))
 ASSI { 1590}
   (( segid " 1SG" and resid 39   and name HN  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      3.200     1.300     1.300 peak  1590 spectrum    1 weight  0.10000E+01 volume  0.35944E-02 ppm1      7.893 ppm2      0.175 CV     1
 ASSI { 1592}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 93   and name HB  ))
      2.600     0.800     0.800 peak  1592 spectrum    1 weight  0.10000E+01 volume  0.35998E-02 ppm1      7.547 ppm2      4.555 CV     1
 ASSI { 1593}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 95   and name HB2 ))
      3.400     1.400     1.400 peak  1593 spectrum    1 weight  0.10000E+01 volume  0.35998E-02 ppm1      7.546 ppm2      2.632 CV     1
 ASSI { 1595}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 95   and name HA  ))
      2.900     1.100     1.100 peak  1595 spectrum    1 weight  0.10000E+01 volume  0.35998E-02 ppm1      7.548 ppm2      4.750 CV     1
 ASSI { 1596}
   (( segid " 1SG" and resid 98   and name HN  ))
   (( segid " 1SG" and resid 7    and name HB2 ))
      3.300     3.300     2.700 peak  1596 spectrum    1 weight  0.10000E+01 volume  0.35998E-02 ppm1      8.415 ppm2      2.581 CV     1
 ASSI { 1597}
   (( segid " 1SG" and resid 101  and name HN  ))
   (( segid " 1SG" and resid 100  and name HB2 ))
      3.000     1.100     1.100 peak  1597 spectrum    1 weight  0.10000E+01 volume  0.35998E-02 ppm1      9.044 ppm2      2.950 CV     1
 ASSI { 1598}
   (( segid " 1SG" and resid 105  and name HN  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      3.200     1.300     1.300 peak  1598 spectrum    1 weight  0.10000E+01 volume  0.35998E-02 ppm1      8.401 ppm2      1.492 CV     1
 ASSI { 1599}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 15   and name HG2 ))
      3.200     1.200     1.200 peak  1599 spectrum    1 weight  0.10000E+01 volume  0.35998E-02 ppm1      8.404 ppm2      2.261 CV     1
 OR { 1599}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 15   and name HG1 ))
 ASSI { 1600}
   (( segid " 1SG" and resid 98   and name HN  ))
   (( segid " 1SG" and resid 91   and name HA  ))
      2.200     2.200     3.800 peak  1600 spectrum    1 weight  0.10000E+01 volume  0.35998E-02 ppm1      8.399 ppm2      4.758 CV     1
 ASSI { 1602}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 105  and name HB  ))
      3.100     1.200     1.200 peak  1602 spectrum    1 weight  0.10000E+01 volume  0.35998E-02 ppm1      8.150 ppm2      3.935 CV     1
 ASSI { 1603}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 106  and name HB  ))
      3.600     1.600     1.600 peak  1603 spectrum    1 weight  0.10000E+01 volume  0.35998E-02 ppm1      8.820 ppm2      1.850 CV     1
 ASSI { 1605}
   (( segid " 1SG" and resid 38   and name HN  ))
   (  segid " 1SG" and resid 38   and name HG2%)
      2.800     0.900     0.900 peak  1605 spectrum    1 weight  0.10000E+01 volume  0.35998E-02 ppm1      8.373 ppm2      0.790 CV     1
 ASSI { 1606}
   (( segid " 1SG" and resid 19   and name HN  ))
   (( segid " 1SG" and resid 19   and name HA2 ))
      2.600     0.800     0.800 peak  1606 spectrum    1 weight  0.10000E+01 volume  0.35998E-02 ppm1      9.828 ppm2      4.311 CV     1
 ASSI { 1608}
   (( segid " 1SG" and resid 85   and name HN  ))
   (  segid " 1SG" and resid 87   and name HD% )
      3.100     3.100     2.900 peak  1608 spectrum    1 weight  0.10000E+01 volume  0.35998E-02 ppm1      9.409 ppm2      6.792 CV     1
 ASSI { 1613}
   (( segid " 1SG" and resid 28   and name HN  ))
   (  segid " 1SG" and resid 72   and name HD% )
      2.900     1.100     1.100 peak  1613 spectrum    1 weight  0.10000E+01 volume  0.36016E-02 ppm1      9.673 ppm2      7.309 CV     1
 ASSI { 1614}
   (( segid " 1SG" and resid 68   and name HN  ))
   (( segid " 1SG" and resid 66   and name HA  ))
      3.400     1.500     1.500 peak  1614 spectrum    1 weight  0.10000E+01 volume  0.35998E-02 ppm1      7.876 ppm2      4.125 CV     1
 ASSI {    1}
   (( segid " 1SG" and resid 43   and name HD1 ))
   (( segid " 1SG" and resid 43   and name HG2 ))
      2.100     0.500     0.500 peak     1 spectrum    1 weight  0.10000E+01 volume  0.84598E-02 ppm1      1.317 ppm2      0.086 CV     1
 OR {    1}
   (( segid " 1SG" and resid 43   and name HD2 ))
   (( segid " 1SG" and resid 43   and name HG2 ))
 ASSI {    2}
   (( segid " 1SG" and resid 41   and name HA  ))
   (( segid " 1SG" and resid 89   and name HA  ))
      2.100     0.500     0.500 peak     2 spectrum    1 weight  0.10000E+01 volume  0.84623E-02 ppm1      5.478 ppm2      4.971 CV     1
 ASSI {   16}
   (( segid " 1SG" and resid 65   and name HG1 ))
   (( segid " 1SG" and resid 65   and name HB2 ))
      2.100     0.600     0.600 peak    16 spectrum    1 weight  0.10000E+01 volume  0.84663E-02 ppm1      1.688 ppm2      1.765 CV     1
 OR {   16}
   (( segid " 1SG" and resid 65   and name HG2 ))
   (( segid " 1SG" and resid 65   and name HB1 ))
 OR {   16}
   (( segid " 1SG" and resid 65   and name HG2 ))
   (( segid " 1SG" and resid 65   and name HB2 ))
 OR {   16}
   (( segid " 1SG" and resid 65   and name HG1 ))
   (( segid " 1SG" and resid 65   and name HB1 ))
 ASSI {   41}
   (( segid " 1SG" and resid 41   and name HA  ))
   (( segid " 1SG" and resid 90   and name HB2 ))
      2.400     2.400     3.600 peak    41 spectrum    1 weight  0.10000E+01 volume  0.83467E-02 ppm1      5.495 ppm2      2.057 CV     1
 ASSI {   98}
   (( segid " 1SG" and resid 87   and name HA  ))
   (( segid " 1SG" and resid 43   and name HA  ))
      2.000     0.500     0.500 peak    98 spectrum    1 weight  0.10000E+01 volume  0.83467E-02 ppm1      4.980 ppm2      4.145 CV     1
 ASSI {  113}
   (( segid " 1SG" and resid 61   and name HA  ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      2.500     2.500     3.500 peak   113 spectrum    1 weight  0.10000E+01 volume  0.83467E-02 ppm1      5.518 ppm2      2.821 CV     1
 ASSI {  131}
   (( segid " 1SG" and resid 1    and name HA  ))
   (( segid " 1SG" and resid 97   and name HB2 ))
      2.400     2.400     3.600 peak   131 spectrum    1 weight  0.10000E+01 volume  0.83606E-02 ppm1      4.624 ppm2      2.693 CV     1
 ASSI {  155}
   (( segid " 1SG" and resid 9    and name HA  ))
   (( segid " 1SG" and resid 9    and name HG2 ))
      2.300     0.700     0.700 peak   155 spectrum    1 weight  0.10000E+01 volume  0.83606E-02 ppm1      4.653 ppm2      2.522 CV     1
 ASSI {  159}
   (  segid " 1SG" and resid 93   and name HG2%)
   (( segid " 1SG" and resid 37   and name HA  ))
      1.900     0.400     0.400 peak   159 spectrum    1 weight  0.10000E+01 volume  0.84463E-02 ppm1      1.041 ppm2      4.505 CV     1
 ASSI {  174}
   (( segid " 1SG" and resid 72   and name HB2 ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      2.000     2.000     4.000 peak   174 spectrum    1 weight  0.10000E+01 volume  0.23194E-01 ppm1      2.926 ppm2      2.791 CV     1
 ASSI {  175}
   (( segid " 1SG" and resid 32   and name HA  ))
   (( segid " 1SG" and resid 32   and name HB1 ))
      2.200     0.600     0.600 peak   175 spectrum    1 weight  0.10000E+01 volume  0.83606E-02 ppm1      4.518 ppm2      3.914 CV     1
 OR {  175}
   (( segid " 1SG" and resid 32   and name HA  ))
   (( segid " 1SG" and resid 32   and name HB2 ))
 ASSI {  183}
   (( segid " 1SG" and resid 74   and name HA  ))
   (( segid " 1SG" and resid 59   and name HA  ))
      2.000     0.500     0.500 peak   183 spectrum    1 weight  0.10000E+01 volume  0.83606E-02 ppm1      4.344 ppm2      5.189 CV     1
 ASSI {  185}
   (( segid " 1SG" and resid 74   and name HA  ))
   (  segid " 1SG" and resid 74   and name HD2%)
      2.100     0.500     0.500 peak   185 spectrum    1 weight  0.10000E+01 volume  0.83606E-02 ppm1      4.326 ppm2      0.405 CV     1
 OR {  185}
   (( segid " 1SG" and resid 74   and name HA  ))
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI {  194}
   (( segid " 1SG" and resid 34   and name HA  ))
   (( segid " 1SG" and resid 34   and name HG  ))
      2.200     0.600     0.600 peak   194 spectrum    1 weight  0.10000E+01 volume  0.83636E-02 ppm1      4.298 ppm2      0.929 CV     1
 ASSI {  226}
   (( segid " 1SG" and resid 17   and name HA  ))
   (( segid " 1SG" and resid 107  and name HB1 ))
      2.100     0.600     0.600 peak   226 spectrum    1 weight  0.10000E+01 volume  0.83696E-02 ppm1      4.795 ppm2      3.074 CV     1
 OR {  226}
   (( segid " 1SG" and resid 17   and name HA  ))
   (( segid " 1SG" and resid 107  and name HB2 ))
 ASSI {  253}
   (( segid " 1SG" and resid 55   and name HG2 ))
   (( segid " 1SG" and resid 55   and name HB2 ))
      2.000     0.500     0.500 peak   253 spectrum    1 weight  0.10000E+01 volume  0.16230E-01 ppm1      1.989 ppm2      1.788 CV     1
 OR {  253}
   (( segid " 1SG" and resid 55   and name HG1 ))
   (( segid " 1SG" and resid 55   and name HB2 ))
 ASSI {  275}
   (( segid " 1SG" and resid 81   and name HB2 ))
   (( segid " 1SG" and resid 81   and name HA  ))
      2.300     0.600     0.600 peak   275 spectrum    1 weight  0.10000E+01 volume  0.83751E-02 ppm1      1.927 ppm2      4.000 CV     1
 ASSI {  282}
   (  segid " 1SG" and resid 84   and name HG2%)
   (( segid " 1SG" and resid 84   and name HB  ))
      2.000     0.500     0.500 peak   282 spectrum    1 weight  0.10000E+01 volume  0.13815E-01 ppm1      1.497 ppm2      4.224 CV     1
 OR {  282}
   (  segid " 1SG" and resid 84   and name HG2%)
   (( segid " 1SG" and resid 84   and name HA  ))
 ASSI {  287}
   (( segid " 1SG" and resid 94   and name HG1 ))
   (( segid " 1SG" and resid 94   and name HD1 ))
      1.900     0.400     0.400 peak   287 spectrum    1 weight  0.10000E+01 volume  0.13476E-01 ppm1      1.417 ppm2      1.679 CV     1
 OR {  287}
   (( segid " 1SG" and resid 94   and name HG2 ))
   (( segid " 1SG" and resid 94   and name HD2 ))
 OR {  287}
   (( segid " 1SG" and resid 94   and name HG2 ))
   (( segid " 1SG" and resid 94   and name HD1 ))
 OR {  287}
   (( segid " 1SG" and resid 94   and name HG1 ))
   (( segid " 1SG" and resid 94   and name HD2 ))
 ASSI {  302}
   (  segid " 1SG" and resid 4    and name HD1%)
   (( segid " 1SG" and resid 4    and name HB  ))
      2.000     0.500     0.500 peak   302 spectrum    1 weight  0.10000E+01 volume  0.83781E-02 ppm1      0.966 ppm2      2.051 CV     1
 ASSI {  313}
   (  segid " 1SG" and resid 66   and name HB% )
   (( segid " 1SG" and resid 66   and name HA  ))
      2.100     0.500     0.500 peak   313 spectrum    1 weight  0.10000E+01 volume  0.11643E-01 ppm1      1.419 ppm2      4.132 CV     1
 ASSI {  328}
   (( segid " 1SG" and resid 34   and name HG  ))
   (  segid " 1SG" and resid 34   and name HD2%)
      2.100     0.600     0.600 peak   328 spectrum    1 weight  0.10000E+01 volume  0.83930E-02 ppm1      0.934 ppm2      0.862 CV     1
 OR {  328}
   (( segid " 1SG" and resid 34   and name HG  ))
   (  segid " 1SG" and resid 34   and name HD1%)
 ASSI {  335}
   (( segid " 1SG" and resid 3    and name HB1 ))
   (( segid " 1SG" and resid 4    and name HB  ))
      2.500     2.500     3.500 peak   335 spectrum    1 weight  0.10000E+01 volume  0.10604E-01 ppm1      2.299 ppm2      2.004 CV     1
 OR {  335}
   (( segid " 1SG" and resid 3    and name HB2 ))
   (( segid " 1SG" and resid 4    and name HB  ))
 ASSI {  336}
   (( segid " 1SG" and resid 68   and name HD2 ))
   (( segid " 1SG" and resid 68   and name HB2 ))
      2.100     0.500     0.500 peak   336 spectrum    1 weight  0.10000E+01 volume  0.83930E-02 ppm1      1.673 ppm2      1.771 CV     1
 OR {  336}
   (( segid " 1SG" and resid 68   and name HD1 ))
   (( segid " 1SG" and resid 68   and name HB2 ))
 ASSI {  342}
   (( segid " 1SG" and resid 36   and name HB2 ))
   (( segid " 1SG" and resid 36   and name HD2 ))
      2.200     2.200     3.800 peak   342 spectrum    1 weight  0.10000E+01 volume  0.83930E-02 ppm1      1.641 ppm2      3.510 CV     1
 ASSI {  345}
   (  segid " 1SG" and resid 69   and name HG2%)
   (( segid " 1SG" and resid 69   and name HB  ))
      2.100     0.500     0.500 peak   345 spectrum    1 weight  0.10000E+01 volume  0.10366E-01 ppm1      0.862 ppm2      1.752 CV     1
 OR {  345}
   (  segid " 1SG" and resid 69   and name HG1%)
   (( segid " 1SG" and resid 69   and name HB  ))
 ASSI {  349}
   (  segid " 1SG" and resid 82   and name HB% )
   (( segid " 1SG" and resid 82   and name HA  ))
      2.100     0.600     0.600 peak   349 spectrum    1 weight  0.10000E+01 volume  0.10149E-01 ppm1      1.321 ppm2      4.210 CV     1
 ASSI {  353}
   (  segid " 1SG" and resid 16   and name HG1%)
   (  segid " 1SG" and resid 16   and name HG2%)
      2.100     0.600     0.600 peak   353 spectrum    1 weight  0.10000E+01 volume  0.10081E-01 ppm1      0.980 ppm2      0.628 CV     1
 ASSI {  354}
   (( segid " 1SG" and resid 21   and name HB2 ))
   (( segid " 1SG" and resid 23   and name HB  ))
      2.200     2.200     3.800 peak   354 spectrum    1 weight  0.10000E+01 volume  0.10025E-01 ppm1      3.720 ppm2      3.604 CV     1
 ASSI {  356}
   (( segid " 1SG" and resid 104  and name HG  ))
   (( segid " 1SG" and resid 104  and name HB2 ))
      2.100     2.100     3.900 peak   356 spectrum    1 weight  0.10000E+01 volume  0.83930E-02 ppm1      1.339 ppm2      1.226 CV     1
 ASSI {  357}
   (( segid " 1SG" and resid 104  and name HG  ))
   (  segid " 1SG" and resid 104  and name HD1%)
      2.000     0.500     0.500 peak   357 spectrum    1 weight  0.10000E+01 volume  0.83930E-02 ppm1      1.341 ppm2      0.980 CV     1
 ASSI {  358}
   (( segid " 1SG" and resid 65   and name HD2 ))
   (( segid " 1SG" and resid 65   and name HG2 ))
      2.100     0.500     0.500 peak   358 spectrum    1 weight  0.10000E+01 volume  0.99167E-02 ppm1      3.238 ppm2      1.683 CV     1
 OR {  358}
   (( segid " 1SG" and resid 65   and name HD1 ))
   (( segid " 1SG" and resid 65   and name HG1 ))
 OR {  358}
   (( segid " 1SG" and resid 65   and name HD1 ))
   (( segid " 1SG" and resid 65   and name HG2 ))
 OR {  358}
   (( segid " 1SG" and resid 65   and name HD2 ))
   (( segid " 1SG" and resid 65   and name HG1 ))
 ASSI {  359}
   (( segid " 1SG" and resid 104  and name HG  ))
   (  segid " 1SG" and resid 104  and name HD2%)
      2.100     0.500     0.500 peak   359 spectrum    1 weight  0.10000E+01 volume  0.83930E-02 ppm1      1.342 ppm2      0.832 CV     1
 ASSI {  363}
   (  segid " 1SG" and resid 8    and name HG2%)
   (( segid " 1SG" and resid 8    and name HB  ))
      2.000     0.500     0.500 peak   363 spectrum    1 weight  0.10000E+01 volume  0.97956E-02 ppm1      0.979 ppm2      1.824 CV     1
 OR {  363}
   (  segid " 1SG" and resid 8    and name HG1%)
   (( segid " 1SG" and resid 8    and name HB  ))
 ASSI {  364}
   (( segid " 1SG" and resid 59   and name HG  ))
   (  segid " 1SG" and resid 59   and name HD2%)
      2.100     0.500     0.500 peak   364 spectrum    1 weight  0.10000E+01 volume  0.83930E-02 ppm1      1.424 ppm2      0.682 CV     1
 ASSI {  375}
   (( segid " 1SG" and resid 4    and name HG12))
   (  segid " 1SG" and resid 4    and name HG2%)
      2.000     0.500     0.500 peak   375 spectrum    1 weight  0.10000E+01 volume  0.83930E-02 ppm1      1.245 ppm2      0.917 CV     1
 ASSI {  377}
   (  segid " 1SG" and resid 71   and name HD2%)
   (  segid " 1SG" and resid 71   and name HD1%)
      2.100     0.600     0.600 peak   377 spectrum    1 weight  0.10000E+01 volume  0.94970E-02 ppm1      0.746 ppm2      0.857 CV     1
 ASSI {  384}
   (( segid " 1SG" and resid 81   and name HD2 ))
   (  segid " 1SG" and resid 18   and name HG1%)
      2.800     1.000     1.000 peak   384 spectrum    1 weight  0.10000E+01 volume  0.83955E-02 ppm1      3.587 ppm2      0.967 CV     1
 OR {  384}
   (( segid " 1SG" and resid 81   and name HD2 ))
   (  segid " 1SG" and resid 18   and name HG2%)
 ASSI {  388}
   (( segid " 1SG" and resid 34   and name HG  ))
   (( segid " 1SG" and resid 34   and name HB1 ))
      2.100     0.600     0.600 peak   388 spectrum    1 weight  0.10000E+01 volume  0.92064E-02 ppm1      0.935 ppm2      1.675 CV     1
 OR {  388}
   (( segid " 1SG" and resid 34   and name HG  ))
   (( segid " 1SG" and resid 34   and name HB2 ))
 ASSI {  403}
   (  segid " 1SG" and resid 34   and name HD1%)
   (( segid " 1SG" and resid 34   and name HB1 ))
      2.200     0.600     0.600 peak   403 spectrum    1 weight  0.10000E+01 volume  0.89757E-02 ppm1      0.863 ppm2      1.651 CV     1
 OR {  403}
   (  segid " 1SG" and resid 34   and name HD2%)
   (( segid " 1SG" and resid 34   and name HB2 ))
 OR {  403}
   (  segid " 1SG" and resid 34   and name HD1%)
   (( segid " 1SG" and resid 34   and name HB2 ))
 OR {  403}
   (  segid " 1SG" and resid 34   and name HD2%)
   (( segid " 1SG" and resid 34   and name HB1 ))
 ASSI {  404}
   (  segid " 1SG" and resid 33   and name HD2%)
   (( segid " 1SG" and resid 33   and name HB2 ))
      2.200     0.600     0.600 peak   404 spectrum    1 weight  0.10000E+01 volume  0.89313E-02 ppm1      0.873 ppm2      1.725 CV     1
 OR {  404}
   (  segid " 1SG" and resid 33   and name HD1%)
   (( segid " 1SG" and resid 33   and name HB2 ))
 ASSI {  405}
   (( segid " 1SG" and resid 96   and name HB2 ))
   (  segid " 1SG" and resid 6    and name HD2%)
      2.300     0.600     0.600 peak   405 spectrum    1 weight  0.10000E+01 volume  0.83955E-02 ppm1      1.583 ppm2      0.481 CV     1
 ASSI {  414}
   (( segid " 1SG" and resid 33   and name HB2 ))
   (( segid " 1SG" and resid 33   and name HG  ))
      2.000     0.500     0.500 peak   414 spectrum    1 weight  0.10000E+01 volume  0.84075E-02 ppm1      1.739 ppm2      0.923 CV     1
 ASSI {  415}
   (  segid " 1SG" and resid 31   and name HB% )
   (( segid " 1SG" and resid 31   and name HA  ))
      2.100     0.600     0.600 peak   415 spectrum    1 weight  0.10000E+01 volume  0.87658E-02 ppm1      1.537 ppm2      4.174 CV     1
 ASSI {  416}
   (( segid " 1SG" and resid 2    and name HB2 ))
   (( segid " 1SG" and resid 1    and name HB2 ))
      2.600     2.600     3.400 peak   416 spectrum    1 weight  0.10000E+01 volume  0.84075E-02 ppm1      2.691 ppm2      2.601 CV     1
 ASSI {  419}
   (( segid " 1SG" and resid 1    and name HB2 ))
   (( segid " 1SG" and resid 97   and name HB2 ))
      2.500     2.500     3.500 peak   419 spectrum    1 weight  0.10000E+01 volume  0.84075E-02 ppm1      2.599 ppm2      2.691 CV     1
 ASSI {  420}
   (  segid " 1SG" and resid 105  and name HG2%)
   (( segid " 1SG" and resid 105  and name HB  ))
      2.100     0.600     0.600 peak   420 spectrum    1 weight  0.10000E+01 volume  0.86512E-02 ppm1      0.923 ppm2      3.904 CV     1
 ASSI {  425}
   (  segid " 1SG" and resid 76   and name HD1%)
   (  segid " 1SG" and resid 76   and name HG2%)
      2.100     0.500     0.500 peak   425 spectrum    1 weight  0.10000E+01 volume  0.85201E-02 ppm1      0.678 ppm2      0.829 CV     1
 ASSI {  427}
   (  segid " 1SG" and resid 59   and name HD1%)
   (  segid " 1SG" and resid 59   and name HD2%)
      2.100     0.600     0.600 peak   427 spectrum    1 weight  0.10000E+01 volume  0.84548E-02 ppm1      0.863 ppm2      0.716 CV     1
 ASSI {  435}
   (( segid " 1SG" and resid 94   and name HE2 ))
   (( segid " 1SG" and resid 94   and name HD2 ))
      2.000     0.500     0.500 peak   435 spectrum    1 weight  0.10000E+01 volume  0.82933E-02 ppm1      2.967 ppm2      1.689 CV     1
 OR {  435}
   (( segid " 1SG" and resid 94   and name HE2 ))
   (( segid " 1SG" and resid 94   and name HD1 ))
 OR {  435}
   (( segid " 1SG" and resid 94   and name HE1 ))
   (( segid " 1SG" and resid 94   and name HD2 ))
 OR {  435}
   (( segid " 1SG" and resid 94   and name HE1 ))
   (( segid " 1SG" and resid 94   and name HD1 ))
 ASSI {  438}
   (( segid " 1SG" and resid 108  and name HG1 ))
   (  segid " 1SG" and resid 18   and name HG2%)
      2.300     0.600     0.600 peak   438 spectrum    1 weight  0.10000E+01 volume  0.84209E-02 ppm1      2.209 ppm2      0.961 CV     1
 OR {  438}
   (( segid " 1SG" and resid 108  and name HG2 ))
   (  segid " 1SG" and resid 18   and name HG2%)
 ASSI {  443}
   (  segid " 1SG" and resid 106  and name HG2%)
   (  segid " 1SG" and resid 106  and name HG1%)
      2.100     0.600     0.600 peak   443 spectrum    1 weight  0.10000E+01 volume  0.80775E-02 ppm1      0.390 ppm2      0.692 CV     1
 ASSI {  458}
   (  segid " 1SG" and resid 23   and name HG2%)
   (( segid " 1SG" and resid 23   and name HB  ))
      2.200     0.600     0.600 peak   458 spectrum    1 weight  0.10000E+01 volume  0.78268E-02 ppm1      0.783 ppm2      3.578 CV     1
 ASSI {  460}
   (( segid " 1SG" and resid 50   and name HB2 ))
   (( segid " 1SG" and resid 50   and name HA  ))
      2.100     0.600     0.600 peak   460 spectrum    1 weight  0.10000E+01 volume  0.84209E-02 ppm1      4.031 ppm2      3.944 CV     1
 ASSI {  463}
   (( segid " 1SG" and resid 35   and name HE2 ))
   (( segid " 1SG" and resid 35   and name HD2 ))
      2.100     0.600     0.600 peak   463 spectrum    1 weight  0.10000E+01 volume  0.76414E-02 ppm1      2.950 ppm2      1.649 CV     1
 OR {  463}
   (( segid " 1SG" and resid 35   and name HE1 ))
   (( segid " 1SG" and resid 35   and name HD1 ))
 OR {  463}
   (( segid " 1SG" and resid 35   and name HE2 ))
   (( segid " 1SG" and resid 35   and name HD1 ))
 OR {  463}
   (( segid " 1SG" and resid 35   and name HE1 ))
   (( segid " 1SG" and resid 35   and name HD2 ))
 ASSI {  464}
   (( segid " 1SG" and resid 4    and name HA  ))
   (  segid " 1SG" and resid 4    and name HG2%)
      2.200     0.600     0.600 peak   464 spectrum    1 weight  0.10000E+01 volume  0.84209E-02 ppm1      4.027 ppm2      0.915 CV     1
 ASSI {  478}
   (  segid " 1SG" and resid 84   and name HG2%)
   (( segid " 1SG" and resid 105  and name HA  ))
      2.200     0.600     0.600 peak   478 spectrum    1 weight  0.10000E+01 volume  0.73598E-02 ppm1      1.498 ppm2      4.518 CV     1
 ASSI {  480}
   (( segid " 1SG" and resid 17   and name HB  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      2.200     0.600     0.600 peak   480 spectrum    1 weight  0.10000E+01 volume  0.73339E-02 ppm1      4.089 ppm2      1.298 CV     1
 ASSI {  482}
   (  segid " 1SG" and resid 34   and name HD2%)
   (( segid " 1SG" and resid 34   and name HA  ))
      2.300     0.700     0.700 peak   482 spectrum    1 weight  0.10000E+01 volume  0.72855E-02 ppm1      0.863 ppm2      4.298 CV     1
 OR {  482}
   (  segid " 1SG" and resid 34   and name HD1%)
   (( segid " 1SG" and resid 34   and name HA  ))
 ASSI {  483}
   (  segid " 1SG" and resid 104  and name HD1%)
   (  segid " 1SG" and resid 16   and name HG2%)
      2.100     0.600     0.600 peak   483 spectrum    1 weight  0.10000E+01 volume  0.72800E-02 ppm1      0.982 ppm2      0.618 CV     1
 ASSI {  485}
   (  segid " 1SG" and resid 6    and name HD1%)
   (  segid " 1SG" and resid 6    and name HD2%)
      2.200     0.600     0.600 peak   485 spectrum    1 weight  0.10000E+01 volume  0.72187E-02 ppm1      0.674 ppm2      0.488 CV     1
 ASSI {  492}
   (  segid " 1SG" and resid 18   and name HG2%)
   (  segid " 1SG" and resid 106  and name HG2%)
      2.200     0.600     0.600 peak   492 spectrum    1 weight  0.10000E+01 volume  0.71380E-02 ppm1      0.966 ppm2      0.388 CV     1
 ASSI {  500}
   (( segid " 1SG" and resid 49   and name HG  ))
   (  segid " 1SG" and resid 49   and name HD1%)
      2.000     0.500     0.500 peak   500 spectrum    1 weight  0.10000E+01 volume  0.84623E-02 ppm1      0.799 ppm2      1.765 CV     1
 ASSI {  501}
   (  segid " 1SG" and resid 91   and name HG2%)
   (( segid " 1SG" and resid 37   and name HB2 ))
      2.100     0.500     0.500 peak   501 spectrum    1 weight  0.10000E+01 volume  0.84244E-02 ppm1      0.184 ppm2      1.380 CV     1
 OR {  501}
   (  segid " 1SG" and resid 91   and name HG2%)
   (( segid " 1SG" and resid 37   and name HG2 ))
 ASSI {  504}
   (  segid " 1SG" and resid 69   and name HG1%)
   (( segid " 1SG" and resid 69   and name HA  ))
      2.200     0.600     0.600 peak   504 spectrum    1 weight  0.10000E+01 volume  0.69865E-02 ppm1      0.862 ppm2      4.593 CV     1
 OR {  504}
   (  segid " 1SG" and resid 69   and name HG2%)
   (( segid " 1SG" and resid 69   and name HA  ))
 ASSI {  507}
   (  segid " 1SG" and resid 38   and name HG2%)
   (( segid " 1SG" and resid 38   and name HB  ))
      2.200     0.600     0.600 peak   507 spectrum    1 weight  0.10000E+01 volume  0.69526E-02 ppm1      0.828 ppm2      1.896 CV     1
 OR {  507}
   (  segid " 1SG" and resid 38   and name HG1%)
   (( segid " 1SG" and resid 38   and name HB  ))
 ASSI {  511}
   (( segid " 1SG" and resid 77   and name HB  ))
   (  segid " 1SG" and resid 77   and name HG2%)
      2.200     0.600     0.600 peak   511 spectrum    1 weight  0.10000E+01 volume  0.69301E-02 ppm1      4.025 ppm2      1.045 CV     1
 ASSI {  515}
   (  segid " 1SG" and resid 47   and name HG2%)
   (  segid " 1SG" and resid 47   and name HG1%)
      2.200     0.600     0.600 peak   515 spectrum    1 weight  0.10000E+01 volume  0.69002E-02 ppm1      0.794 ppm2      0.992 CV     1
 ASSI {  522}
   (  segid " 1SG" and resid 39   and name HG1%)
   (  segid " 1SG" and resid 39   and name HG2%)
      2.300     0.600     0.600 peak   522 spectrum    1 weight  0.10000E+01 volume  0.68065E-02 ppm1     -0.062 ppm2     -0.447 CV     1
 ASSI {  524}
   (( segid " 1SG" and resid 52   and name HD1 ))
   (( segid " 1SG" and resid 52   and name HG2 ))
      2.200     0.600     0.600 peak   524 spectrum    1 weight  0.10000E+01 volume  0.67821E-02 ppm1      1.579 ppm2      1.341 CV     1
 OR {  524}
   (( segid " 1SG" and resid 52   and name HD2 ))
   (( segid " 1SG" and resid 52   and name HG1 ))
 OR {  524}
   (( segid " 1SG" and resid 52   and name HD2 ))
   (( segid " 1SG" and resid 52   and name HG2 ))
 OR {  524}
   (( segid " 1SG" and resid 52   and name HD1 ))
   (( segid " 1SG" and resid 52   and name HG1 ))
 ASSI {  527}
   (( segid " 1SG" and resid 49   and name HG  ))
   (  segid " 1SG" and resid 59   and name HD1%)
      2.600     2.600     3.400 peak   527 spectrum    1 weight  0.10000E+01 volume  0.84269E-02 ppm1      0.848 ppm2      0.850 CV     1
 ASSI {  528}
   (( segid " 1SG" and resid 49   and name HG  ))
   (( segid " 1SG" and resid 49   and name HB2 ))
      2.100     0.600     0.600 peak   528 spectrum    1 weight  0.10000E+01 volume  0.84269E-02 ppm1      0.849 ppm2      1.542 CV     1
 ASSI {  536}
   (  segid " 1SG" and resid 38   and name HG2%)
   (( segid " 1SG" and resid 38   and name HA  ))
      2.300     0.600     0.600 peak   536 spectrum    1 weight  0.10000E+01 volume  0.66934E-02 ppm1      0.835 ppm2      3.900 CV     1
 OR {  536}
   (  segid " 1SG" and resid 38   and name HG1%)
   (( segid " 1SG" and resid 38   and name HA  ))
 ASSI {  541}
   (  segid " 1SG" and resid 59   and name HD2%)
   (  segid " 1SG" and resid 74   and name HD2%)
      2.400     0.700     0.700 peak   541 spectrum    1 weight  0.10000E+01 volume  0.66814E-02 ppm1      0.714 ppm2      0.412 CV     1
 OR {  541}
   (  segid " 1SG" and resid 59   and name HD2%)
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI {  544}
   (( segid " 1SG" and resid 54   and name HA1 ))
   (( segid " 1SG" and resid 54   and name HA2 ))
      2.000     0.500     0.500 peak   544 spectrum    1 weight  0.10000E+01 volume  0.66690E-02 ppm1      3.915 ppm2      4.302 CV     1
 ASSI {  547}
   (  segid " 1SG" and resid 33   and name HD2%)
   (( segid " 1SG" and resid 33   and name HA  ))
      2.500     0.800     0.800 peak   547 spectrum    1 weight  0.10000E+01 volume  0.66445E-02 ppm1      0.873 ppm2      4.455 CV     1
 OR {  547}
   (  segid " 1SG" and resid 33   and name HD1%)
   (( segid " 1SG" and resid 33   and name HA  ))
 ASSI {  548}
   (  segid " 1SG" and resid 28   and name HG1%)
   (  segid " 1SG" and resid 29   and name HB% )
      2.500     2.500     3.500 peak   548 spectrum    1 weight  0.10000E+01 volume  0.84269E-02 ppm1      0.819 ppm2      1.521 CV     1
 ASSI {  557}
   (  segid " 1SG" and resid 59   and name HD1%)
   (  segid " 1SG" and resid 57   and name HD1%)
      2.800     1.000     1.000 peak   557 spectrum    1 weight  0.10000E+01 volume  0.65025E-02 ppm1      0.824 ppm2      0.604 CV     1
 OR {  557}
   (  segid " 1SG" and resid 59   and name HD1%)
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI {  558}
   (  segid " 1SG" and resid 29   and name HB% )
   (( segid " 1SG" and resid 29   and name HA  ))
      2.200     0.600     0.600 peak   558 spectrum    1 weight  0.10000E+01 volume  0.64810E-02 ppm1      1.520 ppm2      4.393 CV     1
 ASSI {  563}
   (  segid " 1SG" and resid 104  and name HD2%)
   (  segid " 1SG" and resid 106  and name HG1%)
      2.300     0.700     0.700 peak   563 spectrum    1 weight  0.10000E+01 volume  0.63764E-02 ppm1      0.837 ppm2      0.684 CV     1
 ASSI {  571}
   (  segid " 1SG" and resid 93   and name HG2%)
   (( segid " 1SG" and resid 93   and name HB  ))
      2.100     0.600     0.600 peak   571 spectrum    1 weight  0.10000E+01 volume  0.63116E-02 ppm1      1.040 ppm2      4.557 CV     1
 ASSI {  572}
   (  segid " 1SG" and resid 104  and name HD2%)
   (  segid " 1SG" and resid 104  and name HD1%)
      2.200     0.600     0.600 peak   572 spectrum    1 weight  0.10000E+01 volume  0.62872E-02 ppm1      0.836 ppm2      0.981 CV     1
 ASSI {  574}
   (  segid " 1SG" and resid 53   and name HG2%)
   (( segid " 1SG" and resid 53   and name HB  ))
      2.200     0.600     0.600 peak   574 spectrum    1 weight  0.10000E+01 volume  0.62563E-02 ppm1      1.080 ppm2      2.129 CV     1
 OR {  574}
   (  segid " 1SG" and resid 53   and name HG1%)
   (( segid " 1SG" and resid 53   and name HB  ))
 ASSI {  581}
   (( segid " 1SG" and resid 67   and name HB2 ))
   (( segid " 1SG" and resid 67   and name HA  ))
      2.300     0.700     0.700 peak   581 spectrum    1 weight  0.10000E+01 volume  0.61765E-02 ppm1      3.729 ppm2      4.301 CV     1
 OR {  581}
   (( segid " 1SG" and resid 67   and name HB1 ))
   (( segid " 1SG" and resid 67   and name HA  ))
 ASSI {  582}
   (( segid " 1SG" and resid 53   and name HB  ))
   (  segid " 1SG" and resid 53   and name HG1%)
      2.200     0.600     0.600 peak   582 spectrum    1 weight  0.10000E+01 volume  0.61715E-02 ppm1      2.134 ppm2      1.116 CV     1
 ASSI {  589}
   (  segid " 1SG" and resid 76   and name HG2%)
   (  segid " 1SG" and resid 57   and name HD1%)
      2.700     0.900     0.900 peak   589 spectrum    1 weight  0.10000E+01 volume  0.84329E-02 ppm1      0.826 ppm2      0.616 CV     1
 OR {  589}
   (  segid " 1SG" and resid 76   and name HG2%)
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI {  592}
   (( segid " 1SG" and resid 53   and name HB  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      2.100     0.600     0.600 peak   592 spectrum    1 weight  0.10000E+01 volume  0.60753E-02 ppm1      2.134 ppm2      1.084 CV     1
 ASSI {  594}
   (  segid " 1SG" and resid 76   and name HD1%)
   (  segid " 1SG" and resid 74   and name HD1%)
      2.000     0.500     0.500 peak   594 spectrum    1 weight  0.10000E+01 volume  0.84329E-02 ppm1      0.676 ppm2      0.417 CV     1
 ASSI {  604}
   (( segid " 1SG" and resid 85   and name HA1 ))
   (( segid " 1SG" and resid 85   and name HA2 ))
      2.000     0.500     0.500 peak   604 spectrum    1 weight  0.10000E+01 volume  0.59901E-02 ppm1      3.939 ppm2      4.518 CV     1
 ASSI {  606}
   (( segid " 1SG" and resid 89   and name HA  ))
   (( segid " 1SG" and resid 99   and name HB2 ))
      2.400     2.400     3.600 peak   606 spectrum    1 weight  0.10000E+01 volume  0.84329E-02 ppm1      4.981 ppm2      2.748 CV     1
 ASSI {  611}
   (( segid " 1SG" and resid 20   and name HA2 ))
   (( segid " 1SG" and resid 20   and name HA1 ))
      2.000     0.500     0.500 peak   611 spectrum    1 weight  0.10000E+01 volume  0.59014E-02 ppm1      4.387 ppm2      3.737 CV     1
 ASSI {  613}
   (( segid " 1SG" and resid 3    and name HD2 ))
   (( segid " 1SG" and resid 2    and name HA  ))
      2.300     0.600     0.600 peak   613 spectrum    1 weight  0.10000E+01 volume  0.58770E-02 ppm1      3.854 ppm2      4.913 CV     1
 OR {  613}
   (( segid " 1SG" and resid 3    and name HD1 ))
   (( segid " 1SG" and resid 2    and name HA  ))
 ASSI {  617}
   (( segid " 1SG" and resid 84   and name HB  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      2.300     0.700     0.700 peak   617 spectrum    1 weight  0.10000E+01 volume  0.58261E-02 ppm1      4.220 ppm2      1.497 CV     1
 ASSI {  623}
   (( segid " 1SG" and resid 38   and name HB  ))
   (  segid " 1SG" and resid 38   and name HG2%)
      2.300     0.700     0.700 peak   623 spectrum    1 weight  0.10000E+01 volume  0.57723E-02 ppm1      1.893 ppm2      0.790 CV     1
 ASSI {  625}
   (( segid " 1SG" and resid 49   and name HG  ))
   (  segid " 1SG" and resid 49   and name HD2%)
      2.100     0.500     0.500 peak   625 spectrum    1 weight  0.10000E+01 volume  0.57299E-02 ppm1      0.805 ppm2      1.028 CV     1
 ASSI {  628}
   (  segid " 1SG" and resid 91   and name HG2%)
   (  segid " 1SG" and resid 39   and name HG2%)
      2.300     0.600     0.600 peak   628 spectrum    1 weight  0.10000E+01 volume  0.56756E-02 ppm1      0.172 ppm2     -0.446 CV     1
 OR {  628}
   (  segid " 1SG" and resid 91   and name HG1%)
   (  segid " 1SG" and resid 39   and name HG2%)
 ASSI {  629}
   (  segid " 1SG" and resid 106  and name HG2%)
   (  segid " 1SG" and resid 18   and name HG2%)
      2.300     0.700     0.700 peak   629 spectrum    1 weight  0.10000E+01 volume  0.55889E-02 ppm1      0.390 ppm2      0.968 CV     1
 OR {  629}
   (  segid " 1SG" and resid 106  and name HG2%)
   (  segid " 1SG" and resid 18   and name HG1%)
 ASSI {  638}
   (  segid " 1SG" and resid 74   and name HD2%)
   (  segid " 1SG" and resid 26   and name HB% )
      1.800     1.800     4.200 peak   638 spectrum    1 weight  0.10000E+01 volume  0.84329E-02 ppm1      0.410 ppm2      1.483 CV     1
 OR {  638}
   (  segid " 1SG" and resid 74   and name HD1%)
   (  segid " 1SG" and resid 26   and name HB% )
 ASSI {  647}
   (( segid " 1SG" and resid 15   and name HB2 ))
   (( segid " 1SG" and resid 15   and name HG2 ))
      2.400     0.700     0.700 peak   647 spectrum    1 weight  0.10000E+01 volume  0.54099E-02 ppm1      2.041 ppm2      2.277 CV     1
 OR {  647}
   (( segid " 1SG" and resid 15   and name HB1 ))
   (( segid " 1SG" and resid 15   and name HG1 ))
 OR {  647}
   (( segid " 1SG" and resid 15   and name HB1 ))
   (( segid " 1SG" and resid 15   and name HG2 ))
 OR {  647}
   (( segid " 1SG" and resid 15   and name HB2 ))
   (( segid " 1SG" and resid 15   and name HG1 ))
 ASSI {  649}
   (  segid " 1SG" and resid 105  and name HG2%)
   (( segid " 1SG" and resid 105  and name HA  ))
      2.300     0.700     0.700 peak   649 spectrum    1 weight  0.10000E+01 volume  0.53915E-02 ppm1      0.923 ppm2      4.518 CV     1
 ASSI {  651}
   (  segid " 1SG" and resid 8    and name HG1%)
   (( segid " 1SG" and resid 8    and name HA  ))
      2.400     0.700     0.700 peak   651 spectrum    1 weight  0.10000E+01 volume  0.53691E-02 ppm1      0.964 ppm2      4.174 CV     1
 OR {  651}
   (  segid " 1SG" and resid 8    and name HG2%)
   (( segid " 1SG" and resid 8    and name HA  ))
 ASSI {  653}
   (  segid " 1SG" and resid 57   and name HD1%)
   (  segid " 1SG" and resid 74   and name HD1%)
      2.300     0.700     0.700 peak   653 spectrum    1 weight  0.10000E+01 volume  0.53541E-02 ppm1      0.612 ppm2      0.416 CV     1
 OR {  653}
   (  segid " 1SG" and resid 57   and name HD2%)
   (  segid " 1SG" and resid 74   and name HD1%)
 OR {  653}
   (  segid " 1SG" and resid 57   and name HD2%)
   (  segid " 1SG" and resid 74   and name HD2%)
 ASSI {  655}
   (( segid " 1SG" and resid 92   and name HB2 ))
   (( segid " 1SG" and resid 92   and name HA  ))
      2.300     0.700     0.700 peak   655 spectrum    1 weight  0.10000E+01 volume  0.53401E-02 ppm1      3.943 ppm2      5.264 CV     1
 OR {  655}
   (( segid " 1SG" and resid 92   and name HB1 ))
   (( segid " 1SG" and resid 92   and name HA  ))
 ASSI {  656}
   (( segid " 1SG" and resid 38   and name HB  ))
   (  segid " 1SG" and resid 38   and name HG1%)
      2.300     0.700     0.700 peak   656 spectrum    1 weight  0.10000E+01 volume  0.53302E-02 ppm1      1.893 ppm2      0.842 CV     1
 ASSI {  660}
   (( segid " 1SG" and resid 18   and name HB  ))
   (  segid " 1SG" and resid 18   and name HG1%)
      2.300     0.700     0.700 peak   660 spectrum    1 weight  0.10000E+01 volume  0.52554E-02 ppm1      1.940 ppm2      1.009 CV     1
 ASSI {  667}
   (( segid " 1SG" and resid 94   and name HE1 ))
   (( segid " 1SG" and resid 94   and name HG1 ))
      2.400     0.700     0.700 peak   667 spectrum    1 weight  0.10000E+01 volume  0.51652E-02 ppm1      2.982 ppm2      1.410 CV     1
 OR {  667}
   (( segid " 1SG" and resid 94   and name HE1 ))
   (( segid " 1SG" and resid 94   and name HG2 ))
 OR {  667}
   (( segid " 1SG" and resid 94   and name HE2 ))
   (( segid " 1SG" and resid 94   and name HG1 ))
 OR {  667}
   (( segid " 1SG" and resid 94   and name HE2 ))
   (( segid " 1SG" and resid 94   and name HG2 ))
 ASSI {  669}
   (( segid " 1SG" and resid 18   and name HB  ))
   (  segid " 1SG" and resid 18   and name HG2%)
      2.300     0.700     0.700 peak   669 spectrum    1 weight  0.10000E+01 volume  0.51517E-02 ppm1      1.940 ppm2      0.968 CV     1
 OR {  669}
   (( segid " 1SG" and resid 18   and name HB  ))
   (  segid " 1SG" and resid 18   and name HG1%)
 ASSI {  676}
   (( segid " 1SG" and resid 32   and name HB2 ))
   (( segid " 1SG" and resid 33   and name HA  ))
      2.500     2.500     3.500 peak   676 spectrum    1 weight  0.10000E+01 volume  0.50964E-02 ppm1      3.910 ppm2      4.466 CV     1
 OR {  676}
   (( segid " 1SG" and resid 32   and name HB1 ))
   (( segid " 1SG" and resid 33   and name HA  ))
 ASSI {  677}
   (  segid " 1SG" and resid 104  and name HD1%)
   (  segid " 1SG" and resid 22   and name HD1%)
      2.500     0.800     0.800 peak   677 spectrum    1 weight  0.10000E+01 volume  0.50964E-02 ppm1      0.982 ppm2      0.547 CV     1
 ASSI {  679}
   (  segid " 1SG" and resid 47   and name HG1%)
   (( segid " 1SG" and resid 47   and name HA  ))
      2.300     0.700     0.700 peak   679 spectrum    1 weight  0.10000E+01 volume  0.50869E-02 ppm1      0.996 ppm2      4.076 CV     1
 ASSI {  681}
   (( segid " 1SG" and resid 68   and name HG2 ))
   (( segid " 1SG" and resid 68   and name HD1 ))
      2.300     0.600     0.600 peak   681 spectrum    1 weight  0.10000E+01 volume  0.50860E-02 ppm1      1.326 ppm2      1.682 CV     1
 OR {  681}
   (( segid " 1SG" and resid 68   and name HG1 ))
   (( segid " 1SG" and resid 68   and name HD1 ))
 OR {  681}
   (( segid " 1SG" and resid 68   and name HG2 ))
   (( segid " 1SG" and resid 68   and name HD2 ))
 OR {  681}
   (( segid " 1SG" and resid 68   and name HG1 ))
   (( segid " 1SG" and resid 68   and name HD2 ))
 ASSI {  684}
   (  segid " 1SG" and resid 53   and name HG2%)
   (( segid " 1SG" and resid 53   and name HA  ))
      2.000     0.500     0.500 peak   684 spectrum    1 weight  0.10000E+01 volume  0.84329E-02 ppm1      1.079 ppm2      4.054 CV     1
 OR {  684}
   (  segid " 1SG" and resid 53   and name HG1%)
   (( segid " 1SG" and resid 53   and name HA  ))
 ASSI {  685}
   (( segid " 1SG" and resid 44   and name HA1 ))
   (( segid " 1SG" and resid 44   and name HA2 ))
      2.000     0.500     0.500 peak   685 spectrum    1 weight  0.10000E+01 volume  0.50675E-02 ppm1      3.476 ppm2      3.825 CV     1
 ASSI {  689}
   (  segid " 1SG" and resid 57   and name HD2%)
   (( segid " 1SG" and resid 57   and name HG  ))
      2.100     0.600     0.600 peak   689 spectrum    1 weight  0.10000E+01 volume  0.50401E-02 ppm1      0.618 ppm2      0.749 CV     1
 OR {  689}
   (  segid " 1SG" and resid 57   and name HD1%)
   (( segid " 1SG" and resid 57   and name HG  ))
 ASSI {  690}
   (  segid " 1SG" and resid 53   and name HG1%)
   (  segid " 1SG" and resid 59   and name HD1%)
      2.500     0.800     0.800 peak   690 spectrum    1 weight  0.10000E+01 volume  0.84329E-02 ppm1      1.118 ppm2      0.869 CV     1
 ASSI {  691}
   (  segid " 1SG" and resid 53   and name HG1%)
   (  segid " 1SG" and resid 57   and name HD2%)
      2.500     0.800     0.800 peak   691 spectrum    1 weight  0.10000E+01 volume  0.84329E-02 ppm1      1.118 ppm2      0.614 CV     1
 OR {  691}
   (  segid " 1SG" and resid 53   and name HG1%)
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI {  692}
   (  segid " 1SG" and resid 53   and name HG1%)
   (  segid " 1SG" and resid 53   and name HG2%)
      2.100     0.600     0.600 peak   692 spectrum    1 weight  0.10000E+01 volume  0.84329E-02 ppm1      1.122 ppm2      1.070 CV     1
 ASSI {  695}
   (  segid " 1SG" and resid 53   and name HG2%)
   (  segid " 1SG" and resid 57   and name HD2%)
      2.300     0.600     0.600 peak   695 spectrum    1 weight  0.10000E+01 volume  0.49792E-02 ppm1      1.077 ppm2      0.618 CV     1
 OR {  695}
   (  segid " 1SG" and resid 53   and name HG2%)
   (  segid " 1SG" and resid 57   and name HD1%)
 OR {  695}
   (  segid " 1SG" and resid 53   and name HG1%)
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI {  698}
   (( segid " 1SG" and resid 68   and name HE2 ))
   (( segid " 1SG" and resid 68   and name HG1 ))
      2.400     0.700     0.700 peak   698 spectrum    1 weight  0.10000E+01 volume  0.49652E-02 ppm1      3.029 ppm2      1.285 CV     1
 OR {  698}
   (( segid " 1SG" and resid 68   and name HE1 ))
   (( segid " 1SG" and resid 68   and name HG1 ))
 OR {  698}
   (( segid " 1SG" and resid 68   and name HE2 ))
   (( segid " 1SG" and resid 68   and name HG2 ))
 OR {  698}
   (( segid " 1SG" and resid 68   and name HE1 ))
   (( segid " 1SG" and resid 68   and name HG2 ))
 ASSI {  699}
   (  segid " 1SG" and resid 53   and name HG1%)
   (( segid " 1SG" and resid 53   and name HA  ))
      2.100     0.500     0.500 peak   699 spectrum    1 weight  0.10000E+01 volume  0.84329E-02 ppm1      1.119 ppm2      4.050 CV     1
 ASSI {  711}
   (  segid " 1SG" and resid 59   and name HD2%)
   (  segid " 1SG" and resid 57   and name HD1%)
      2.900     2.900     3.100 peak   711 spectrum    1 weight  0.10000E+01 volume  0.48402E-02 ppm1      0.712 ppm2      0.620 CV     1
 OR {  711}
   (  segid " 1SG" and resid 59   and name HD2%)
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI {  712}
   (( segid " 1SG" and resid 27   and name HD1 ))
   (( segid " 1SG" and resid 27   and name HB1 ))
      2.300     0.700     0.700 peak   712 spectrum    1 weight  0.10000E+01 volume  0.48401E-02 ppm1      3.128 ppm2      1.583 CV     1
 OR {  712}
   (( segid " 1SG" and resid 27   and name HD2 ))
   (( segid " 1SG" and resid 27   and name HB2 ))
 OR {  712}
   (( segid " 1SG" and resid 27   and name HD2 ))
   (( segid " 1SG" and resid 27   and name HB1 ))
 OR {  712}
   (( segid " 1SG" and resid 27   and name HD1 ))
   (( segid " 1SG" and resid 27   and name HB2 ))
 ASSI {  725}
   (  segid " 1SG" and resid 71   and name HD1%)
   (( segid " 1SG" and resid 71   and name HB2 ))
      2.200     0.600     0.600 peak   725 spectrum    1 weight  0.10000E+01 volume  0.84483E-02 ppm1      0.856 ppm2      1.270 CV     1
 ASSI {  731}
   (  segid " 1SG" and resid 91   and name HG1%)
   (( segid " 1SG" and resid 91   and name HB  ))
      2.300     0.600     0.600 peak   731 spectrum    1 weight  0.10000E+01 volume  0.47432E-02 ppm1      0.175 ppm2      1.130 CV     1
 OR {  731}
   (  segid " 1SG" and resid 91   and name HG2%)
   (( segid " 1SG" and resid 91   and name HB  ))
 ASSI {  739}
   (( segid " 1SG" and resid 14   and name HA2 ))
   (( segid " 1SG" and resid 14   and name HA1 ))
      2.100     0.500     0.500 peak   739 spectrum    1 weight  0.10000E+01 volume  0.47042E-02 ppm1      4.937 ppm2      3.749 CV     1
 ASSI {  742}
   (( segid " 1SG" and resid 4    and name HG12))
   (  segid " 1SG" and resid 4    and name HD1%)
      2.300     0.600     0.600 peak   742 spectrum    1 weight  0.10000E+01 volume  0.46897E-02 ppm1      1.241 ppm2      0.966 CV     1
 ASSI {  745}
   (( segid " 1SG" and resid 43   and name HE2 ))
   (( segid " 1SG" and resid 43   and name HG2 ))
      2.100     0.500     0.500 peak   745 spectrum    1 weight  0.10000E+01 volume  0.84598E-02 ppm1      2.518 ppm2      0.081 CV     1
 ASSI {  751}
   (  segid " 1SG" and resid 93   and name HG2%)
   (  segid " 1SG" and resid 6    and name HD1%)
      2.300     0.700     0.700 peak   751 spectrum    1 weight  0.10000E+01 volume  0.46396E-02 ppm1      1.039 ppm2      0.675 CV     1
 ASSI {  760}
   (( segid " 1SG" and resid 68   and name HD1 ))
   (( segid " 1SG" and resid 68   and name HE1 ))
      2.300     0.700     0.700 peak   760 spectrum    1 weight  0.10000E+01 volume  0.45731E-02 ppm1      1.678 ppm2      3.029 CV     1
 OR {  760}
   (( segid " 1SG" and resid 68   and name HD2 ))
   (( segid " 1SG" and resid 68   and name HE2 ))
 OR {  760}
   (( segid " 1SG" and resid 68   and name HD2 ))
   (( segid " 1SG" and resid 68   and name HE1 ))
 OR {  760}
   (( segid " 1SG" and resid 68   and name HD1 ))
   (( segid " 1SG" and resid 68   and name HE2 ))
 ASSI {  761}
   (  segid " 1SG" and resid 6    and name HD1%)
   (( segid " 1SG" and resid 6    and name HA  ))
      2.300     0.700     0.700 peak   761 spectrum    1 weight  0.10000E+01 volume  0.45558E-02 ppm1      0.673 ppm2      4.461 CV     1
 ASSI {  765}
   (  segid " 1SG" and resid 79   and name HB% )
   (  segid " 1SG" and resid 106  and name HG1%)
      2.700     0.900     0.900 peak   765 spectrum    1 weight  0.10000E+01 volume  0.45328E-02 ppm1      1.194 ppm2      0.689 CV     1
 ASSI {  773}
   (( segid " 1SG" and resid 93   and name HB  ))
   (( segid " 1SG" and resid 93   and name HA  ))
      2.400     0.700     0.700 peak   773 spectrum    1 weight  0.10000E+01 volume  0.44792E-02 ppm1      4.558 ppm2      4.791 CV     1
 ASSI {  775}
   (  segid " 1SG" and resid 77   and name HG2%)
   (( segid " 1SG" and resid 77   and name HA  ))
      2.400     0.700     0.700 peak   775 spectrum    1 weight  0.10000E+01 volume  0.44727E-02 ppm1      1.047 ppm2      4.663 CV     1
 ASSI {  777}
   (( segid " 1SG" and resid 65   and name HD2 ))
   (( segid " 1SG" and resid 65   and name HB1 ))
      2.500     0.800     0.800 peak   777 spectrum    1 weight  0.10000E+01 volume  0.44648E-02 ppm1      3.235 ppm2      1.762 CV     1
 OR {  777}
   (( segid " 1SG" and resid 65   and name HD1 ))
   (( segid " 1SG" and resid 65   and name HB2 ))
 OR {  777}
   (( segid " 1SG" and resid 65   and name HD1 ))
   (( segid " 1SG" and resid 65   and name HB1 ))
 OR {  777}
   (( segid " 1SG" and resid 65   and name HD2 ))
   (( segid " 1SG" and resid 65   and name HB2 ))
 ASSI {  778}
   (  segid " 1SG" and resid 39   and name HG2%)
   (  segid " 1SG" and resid 91   and name HG2%)
      2.300     0.700     0.700 peak   778 spectrum    1 weight  0.10000E+01 volume  0.44610E-02 ppm1     -0.446 ppm2      0.165 CV     1
 ASSI {  781}
   (  segid " 1SG" and resid 93   and name HG2%)
   (( segid " 1SG" and resid 36   and name HD2 ))
      2.000     2.000     4.000 peak   781 spectrum    1 weight  0.10000E+01 volume  0.44526E-02 ppm1      0.966 ppm2      3.511 CV     1
 ASSI {  784}
   (( segid " 1SG" and resid 29   and name HA  ))
   (( segid " 1SG" and resid 6    and name HA  ))
      2.800     2.800     3.200 peak   784 spectrum    1 weight  0.10000E+01 volume  0.44465E-02 ppm1      4.446 ppm2      4.446 CV     1
 ASSI {  785}
   (( segid " 1SG" and resid 16   and name HA  ))
   (  segid " 1SG" and resid 16   and name HG1%)
      2.500     0.800     0.800 peak   785 spectrum    1 weight  0.10000E+01 volume  0.44392E-02 ppm1      4.604 ppm2      0.981 CV     1
 ASSI {  787}
   (( segid " 1SG" and resid 61   and name HB2 ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      2.700     2.700     3.300 peak   787 spectrum    1 weight  0.10000E+01 volume  0.44266E-02 ppm1      2.304 ppm2      2.785 CV     1
 ASSI {  794}
   (( segid " 1SG" and resid 38   and name HA  ))
   (  segid " 1SG" and resid 38   and name HG1%)
      2.400     0.700     0.700 peak   794 spectrum    1 weight  0.10000E+01 volume  0.43836E-02 ppm1      3.904 ppm2      0.841 CV     1
 ASSI {  795}
   (( segid " 1SG" and resid 30   and name HA1 ))
   (( segid " 1SG" and resid 30   and name HA2 ))
      2.100     0.500     0.500 peak   795 spectrum    1 weight  0.10000E+01 volume  0.43833E-02 ppm1      3.952 ppm2      4.673 CV     1
 ASSI {  798}
   (( segid " 1SG" and resid 35   and name HE1 ))
   (  segid " 1SG" and resid 38   and name HG2%)
      2.400     0.700     0.700 peak   798 spectrum    1 weight  0.10000E+01 volume  0.43776E-02 ppm1      2.906 ppm2      0.791 CV     1
 OR {  798}
   (( segid " 1SG" and resid 35   and name HE2 ))
   (  segid " 1SG" and resid 38   and name HG2%)
 ASSI {  801}
   (  segid " 1SG" and resid 28   and name HG2%)
   (  segid " 1SG" and resid 91   and name HG2%)
      2.700     0.900     0.900 peak   801 spectrum    1 weight  0.10000E+01 volume  0.43597E-02 ppm1      0.651 ppm2      0.165 CV     1
 ASSI {  802}
   (( segid " 1SG" and resid 79   and name HA  ))
   (  segid " 1SG" and resid 79   and name HB% )
      2.300     0.700     0.700 peak   802 spectrum    1 weight  0.10000E+01 volume  0.43550E-02 ppm1      3.689 ppm2      1.194 CV     1
 ASSI {  804}
   (  segid " 1SG" and resid 91   and name HG2%)
   (  segid " 1SG" and resid 6    and name HD2%)
      2.300     0.700     0.700 peak   804 spectrum    1 weight  0.10000E+01 volume  0.43507E-02 ppm1      0.186 ppm2      0.489 CV     1
 OR {  804}
   (  segid " 1SG" and resid 91   and name HG1%)
   (  segid " 1SG" and resid 6    and name HD2%)
 ASSI {  808}
   (( segid " 1SG" and resid 57   and name HG  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      2.100     0.500     0.500 peak   808 spectrum    1 weight  0.10000E+01 volume  0.43236E-02 ppm1      0.750 ppm2      1.460 CV     1
 ASSI {  814}
   (( segid " 1SG" and resid 34   and name HA  ))
   (( segid " 1SG" and resid 34   and name HB2 ))
      2.400     0.700     0.700 peak   814 spectrum    1 weight  0.10000E+01 volume  0.43042E-02 ppm1      4.298 ppm2      1.673 CV     1
 OR {  814}
   (( segid " 1SG" and resid 34   and name HA  ))
   (( segid " 1SG" and resid 34   and name HB1 ))
 ASSI {  816}
   (  segid " 1SG" and resid 16   and name HG2%)
   (  segid " 1SG" and resid 79   and name HB% )
      2.400     0.700     0.700 peak   816 spectrum    1 weight  0.10000E+01 volume  0.42933E-02 ppm1      0.628 ppm2      1.196 CV     1
 ASSI {  818}
   (( segid " 1SG" and resid 12   and name HG1 ))
   (( segid " 1SG" and resid 12   and name HB2 ))
      2.400     0.700     0.700 peak   818 spectrum    1 weight  0.10000E+01 volume  0.42858E-02 ppm1      2.482 ppm2      1.977 CV     1
 OR {  818}
   (( segid " 1SG" and resid 12   and name HG2 ))
   (( segid " 1SG" and resid 12   and name HB2 ))
 ASSI {  826}
   (  segid " 1SG" and resid 26   and name HB% )
   (( segid " 1SG" and resid 26   and name HA  ))
      2.300     0.700     0.700 peak   826 spectrum    1 weight  0.10000E+01 volume  0.42334E-02 ppm1      1.469 ppm2      4.924 CV     1
 ASSI {  828}
   (( segid " 1SG" and resid 80   and name HG2 ))
   (( segid " 1SG" and resid 80   and name HB1 ))
      2.400     0.700     0.700 peak   828 spectrum    1 weight  0.10000E+01 volume  0.42020E-02 ppm1      2.181 ppm2      1.949 CV     1
 OR {  828}
   (( segid " 1SG" and resid 80   and name HG2 ))
   (( segid " 1SG" and resid 80   and name HB2 ))
 OR {  828}
   (( segid " 1SG" and resid 80   and name HG1 ))
   (( segid " 1SG" and resid 80   and name HB1 ))
 OR {  828}
   (( segid " 1SG" and resid 80   and name HG1 ))
   (( segid " 1SG" and resid 80   and name HB2 ))
 ASSI {  833}
   (  segid " 1SG" and resid 47   and name HG2%)
   (( segid " 1SG" and resid 47   and name HB  ))
      2.300     0.700     0.700 peak   833 spectrum    1 weight  0.10000E+01 volume  0.41046E-02 ppm1      0.794 ppm2      2.534 CV     1
 ASSI {  836}
   (  segid " 1SG" and resid 4    and name HG2%)
   (( segid " 1SG" and resid 4    and name HB  ))
      2.200     0.600     0.600 peak   836 spectrum    1 weight  0.10000E+01 volume  0.40674E-02 ppm1      0.914 ppm2      2.051 CV     1
 ASSI {  837}
   (  segid " 1SG" and resid 33   and name HD1%)
   (  segid " 1SG" and resid 93   and name HG2%)
      2.500     0.800     0.800 peak   837 spectrum    1 weight  0.10000E+01 volume  0.40663E-02 ppm1      0.872 ppm2      1.036 CV     1
 OR {  837}
   (  segid " 1SG" and resid 33   and name HD2%)
   (  segid " 1SG" and resid 93   and name HG2%)
 ASSI {  845}
   (  segid " 1SG" and resid 23   and name HG2%)
   (( segid " 1SG" and resid 23   and name HA  ))
      2.500     0.800     0.800 peak   845 spectrum    1 weight  0.10000E+01 volume  0.40289E-02 ppm1      0.784 ppm2      5.116 CV     1
 ASSI {  852}
   (( segid " 1SG" and resid 45   and name HD1 ))
   (( segid " 1SG" and resid 45   and name HG2 ))
      2.400     0.700     0.700 peak   852 spectrum    1 weight  0.10000E+01 volume  0.39998E-02 ppm1      1.241 ppm2      0.603 CV     1
 OR {  852}
   (( segid " 1SG" and resid 45   and name HD2 ))
   (( segid " 1SG" and resid 45   and name HG2 ))
 OR {  852}
   (( segid " 1SG" and resid 45   and name HD2 ))
   (( segid " 1SG" and resid 45   and name HB2 ))
 OR {  852}
   (( segid " 1SG" and resid 45   and name HD1 ))
   (( segid " 1SG" and resid 45   and name HB2 ))
 ASSI {  854}
   (  segid " 1SG" and resid 39   and name HG2%)
   (( segid " 1SG" and resid 39   and name HB  ))
      2.400     0.700     0.700 peak   854 spectrum    1 weight  0.10000E+01 volume  0.39773E-02 ppm1     -0.446 ppm2      0.589 CV     1
 ASSI {  857}
   (  segid " 1SG" and resid 47   and name HG1%)
   (( segid " 1SG" and resid 47   and name HB  ))
      2.300     0.700     0.700 peak   857 spectrum    1 weight  0.10000E+01 volume  0.39389E-02 ppm1      0.995 ppm2      2.528 CV     1
 ASSI {  859}
   (  segid " 1SG" and resid 104  and name HD2%)
   (  segid " 1SG" and resid 16   and name HG2%)
      2.600     0.900     0.900 peak   859 spectrum    1 weight  0.10000E+01 volume  0.39206E-02 ppm1      0.837 ppm2      0.615 CV     1
 ASSI {  862}
   (  segid " 1SG" and resid 16   and name HG2%)
   (  segid " 1SG" and resid 106  and name HG2%)
      2.500     0.800     0.800 peak   862 spectrum    1 weight  0.10000E+01 volume  0.39119E-02 ppm1      0.633 ppm2      0.390 CV     1
 ASSI {  866}
   (( segid " 1SG" and resid 55   and name HG1 ))
   (( segid " 1SG" and resid 55   and name HA  ))
      2.500     0.800     0.800 peak   866 spectrum    1 weight  0.10000E+01 volume  0.38874E-02 ppm1      1.990 ppm2      4.001 CV     1
 OR {  866}
   (( segid " 1SG" and resid 55   and name HG2 ))
   (( segid " 1SG" and resid 55   and name HA  ))
 ASSI {  867}
   (  segid " 1SG" and resid 59   and name HD2%)
   (( segid " 1SG" and resid 59   and name HA  ))
      2.400     0.700     0.700 peak   867 spectrum    1 weight  0.10000E+01 volume  0.38745E-02 ppm1      0.713 ppm2      5.190 CV     1
 ASSI {  873}
   (( segid " 1SG" and resid 91   and name HB  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      2.300     0.700     0.700 peak   873 spectrum    1 weight  0.10000E+01 volume  0.38484E-02 ppm1      1.132 ppm2      0.172 CV     1
 ASSI {  882}
   (( segid " 1SG" and resid 38   and name HA  ))
   (  segid " 1SG" and resid 38   and name HG2%)
      2.600     0.800     0.800 peak   882 spectrum    1 weight  0.10000E+01 volume  0.37949E-02 ppm1      3.900 ppm2      0.791 CV     1
 ASSI {  885}
   (( segid " 1SG" and resid 62   and name HB2 ))
   (( segid " 1SG" and resid 62   and name HA  ))
      2.700     0.900     0.900 peak   885 spectrum    1 weight  0.10000E+01 volume  0.37822E-02 ppm1      3.814 ppm2      4.609 CV     1
 ASSI {  887}
   (  segid " 1SG" and resid 93   and name HG2%)
   (( segid " 1SG" and resid 93   and name HA  ))
      2.300     0.700     0.700 peak   887 spectrum    1 weight  0.10000E+01 volume  0.37801E-02 ppm1      1.040 ppm2      4.794 CV     1
 ASSI {  894}
   (( segid " 1SG" and resid 52   and name HD1 ))
   (  segid " 1SG" and resid 47   and name HG1%)
      2.500     2.500     3.500 peak   894 spectrum    1 weight  0.10000E+01 volume  0.37469E-02 ppm1      1.585 ppm2      0.965 CV     1
 OR {  894}
   (( segid " 1SG" and resid 52   and name HD2 ))
   (  segid " 1SG" and resid 47   and name HG1%)
 ASSI {  896}
   (  segid " 1SG" and resid 106  and name HG2%)
   (( segid " 1SG" and resid 106  and name HB  ))
      2.300     0.700     0.700 peak   896 spectrum    1 weight  0.10000E+01 volume  0.37413E-02 ppm1      0.392 ppm2      1.861 CV     1
 ASSI {  897}
   (  segid " 1SG" and resid 4    and name HD1%)
   (( segid " 1SG" and resid 96   and name HB2 ))
      2.400     0.700     0.700 peak   897 spectrum    1 weight  0.10000E+01 volume  0.37371E-02 ppm1      0.965 ppm2      1.581 CV     1
 ASSI {  902}
   (( segid " 1SG" and resid 96   and name HB2 ))
   (( segid " 1SG" and resid 94   and name HD2 ))
      2.300     0.700     0.700 peak   902 spectrum    1 weight  0.10000E+01 volume  0.37175E-02 ppm1      1.580 ppm2      1.690 CV     1
 OR {  902}
   (( segid " 1SG" and resid 96   and name HB2 ))
   (( segid " 1SG" and resid 94   and name HD1 ))
 ASSI {  908}
   (  segid " 1SG" and resid 106  and name HG1%)
   (( segid " 1SG" and resid 106  and name HB  ))
      2.300     0.700     0.700 peak   908 spectrum    1 weight  0.10000E+01 volume  0.36662E-02 ppm1      0.695 ppm2      1.859 CV     1
 ASSI {  910}
   (( segid " 1SG" and resid 96   and name HB2 ))
   (( segid " 1SG" and resid 96   and name HG1 ))
      2.200     0.600     0.600 peak   910 spectrum    1 weight  0.10000E+01 volume  0.36365E-02 ppm1      1.587 ppm2      1.335 CV     1
 OR {  910}
   (( segid " 1SG" and resid 96   and name HB2 ))
   (( segid " 1SG" and resid 96   and name HG2 ))
 ASSI {  913}
   (  segid " 1SG" and resid 59   and name HD1%)
   (( segid " 1SG" and resid 59   and name HG  ))
      2.300     0.700     0.700 peak   913 spectrum    1 weight  0.10000E+01 volume  0.36152E-02 ppm1      0.866 ppm2      1.440 CV     1
 ASSI {  931}
   (( segid " 1SG" and resid 65   and name HB1 ))
   (( segid " 1SG" and resid 65   and name HA  ))
      2.500     0.800     0.800 peak   931 spectrum    1 weight  0.10000E+01 volume  0.35374E-02 ppm1      1.768 ppm2      3.458 CV     1
 OR {  931}
   (( segid " 1SG" and resid 65   and name HB2 ))
   (( segid " 1SG" and resid 65   and name HA  ))
 ASSI {  932}
   (  segid " 1SG" and resid 71   and name HD1%)
   (( segid " 1SG" and resid 71   and name HA  ))
      2.400     0.700     0.700 peak   932 spectrum    1 weight  0.10000E+01 volume  0.35373E-02 ppm1      0.861 ppm2      5.068 CV     1
 ASSI {  934}
   (  segid " 1SG" and resid 39   and name HG1%)
   (( segid " 1SG" and resid 39   and name HB  ))
      2.400     0.700     0.700 peak   934 spectrum    1 weight  0.10000E+01 volume  0.35312E-02 ppm1     -0.065 ppm2      0.591 CV     1
 ASSI {  935}
   (( segid " 1SG" and resid 49   and name HG  ))
   (( segid " 1SG" and resid 49   and name HA  ))
      2.200     0.600     0.600 peak   935 spectrum    1 weight  0.10000E+01 volume  0.35279E-02 ppm1      0.803 ppm2      3.862 CV     1
 ASSI {  937}
   (( segid " 1SG" and resid 86   and name HA1 ))
   (( segid " 1SG" and resid 86   and name HA2 ))
      2.200     0.600     0.600 peak   937 spectrum    1 weight  0.10000E+01 volume  0.34970E-02 ppm1      3.487 ppm2      4.665 CV     1
 ASSI {  944}
   (( segid " 1SG" and resid 51   and name HA  ))
   (( segid " 1SG" and resid 51   and name HB2 ))
      2.500     0.800     0.800 peak   944 spectrum    1 weight  0.10000E+01 volume  0.34497E-02 ppm1      4.566 ppm2      4.025 CV     1
 ASSI {  947}
   (( segid " 1SG" and resid 16   and name HB  ))
   (  segid " 1SG" and resid 16   and name HG1%)
      2.400     0.700     0.700 peak   947 spectrum    1 weight  0.10000E+01 volume  0.34290E-02 ppm1      1.819 ppm2      0.980 CV     1
 ASSI {  949}
   (( segid " 1SG" and resid 16   and name HB  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      2.400     0.700     0.700 peak   949 spectrum    1 weight  0.10000E+01 volume  0.34222E-02 ppm1      1.824 ppm2      0.622 CV     1
 ASSI {  952}
   (( segid " 1SG" and resid 95   and name HA  ))
   (( segid " 1SG" and resid 95   and name HB2 ))
      2.500     0.800     0.800 peak   952 spectrum    1 weight  0.10000E+01 volume  0.34185E-02 ppm1      4.737 ppm2      2.633 CV     1
 ASSI {  953}
   (( segid " 1SG" and resid 77   and name HB  ))
   (( segid " 1SG" and resid 77   and name HA  ))
      2.300     0.700     0.700 peak   953 spectrum    1 weight  0.10000E+01 volume  0.34157E-02 ppm1      4.029 ppm2      4.666 CV     1
 ASSI {  955}
   (( segid " 1SG" and resid 53   and name HA  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      2.300     0.700     0.700 peak   955 spectrum    1 weight  0.10000E+01 volume  0.34105E-02 ppm1      4.054 ppm2      1.080 CV     1
 ASSI {  963}
   (  segid " 1SG" and resid 74   and name HD1%)
   (  segid " 1SG" and resid 49   and name HD2%)
      2.400     0.700     0.700 peak   963 spectrum    1 weight  0.10000E+01 volume  0.33666E-02 ppm1      0.410 ppm2      1.032 CV     1
 OR {  963}
   (  segid " 1SG" and resid 74   and name HD2%)
   (  segid " 1SG" and resid 49   and name HD2%)
 ASSI {  965}
   (( segid " 1SG" and resid 3    and name HD1 ))
   (( segid " 1SG" and resid 4    and name HB  ))
      2.800     2.800     3.200 peak   965 spectrum    1 weight  0.10000E+01 volume  0.33616E-02 ppm1      3.857 ppm2      2.022 CV     1
 OR {  965}
   (( segid " 1SG" and resid 3    and name HD2 ))
   (( segid " 1SG" and resid 4    and name HB  ))
 ASSI {  966}
   (( segid " 1SG" and resid 61   and name HA  ))
   (( segid " 1SG" and resid 72   and name HA  ))
      2.200     0.600     0.600 peak   966 spectrum    1 weight  0.10000E+01 volume  0.33558E-02 ppm1      5.559 ppm2      5.379 CV     1
 ASSI {  969}
   (  segid " 1SG" and resid 47   and name HG2%)
   (( segid " 1SG" and resid 47   and name HA  ))
      2.700     0.900     0.900 peak   969 spectrum    1 weight  0.10000E+01 volume  0.33426E-02 ppm1      0.793 ppm2      4.074 CV     1
 ASSI {  972}
   (  segid " 1SG" and resid 106  and name HG1%)
   (( segid " 1SG" and resid 106  and name HA  ))
      2.800     1.000     1.000 peak   972 spectrum    1 weight  0.10000E+01 volume  0.33202E-02 ppm1      0.694 ppm2      4.732 CV     1
 ASSI {  978}
   (  segid " 1SG" and resid 104  and name HD1%)
   (( segid " 1SG" and resid 104  and name HA  ))
      2.800     1.000     1.000 peak   978 spectrum    1 weight  0.10000E+01 volume  0.33034E-02 ppm1      0.981 ppm2      5.437 CV     1
 ASSI {  984}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 104  and name HB2 ))
      2.600     0.800     0.800 peak   984 spectrum    1 weight  0.10000E+01 volume  0.32661E-02 ppm1      0.549 ppm2      1.243 CV     1
 OR {  984}
   (  segid " 1SG" and resid 22   and name HD1%)
   (( segid " 1SG" and resid 104  and name HB2 ))
 ASSI {  986}
   (  segid " 1SG" and resid 74   and name HD1%)
   (( segid " 1SG" and resid 74   and name HG  ))
      2.400     0.700     0.700 peak   986 spectrum    1 weight  0.10000E+01 volume  0.32561E-02 ppm1      0.409 ppm2      1.098 CV     1
 OR {  986}
   (  segid " 1SG" and resid 74   and name HD2%)
   (( segid " 1SG" and resid 74   and name HG  ))
 ASSI {  990}
   (  segid " 1SG" and resid 18   and name HG2%)
   (( segid " 1SG" and resid 108  and name HA  ))
      2.400     0.700     0.700 peak   990 spectrum    1 weight  0.10000E+01 volume  0.32517E-02 ppm1      0.965 ppm2      4.151 CV     1
 ASSI {  991}
   (( segid " 1SG" and resid 55   and name HB2 ))
   (( segid " 1SG" and resid 55   and name HA  ))
      2.600     0.800     0.800 peak   991 spectrum    1 weight  0.10000E+01 volume  0.32485E-02 ppm1      1.787 ppm2      4.002 CV     1
 ASSI {  992}
   (( segid " 1SG" and resid 106  and name HA  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      2.500     0.800     0.800 peak   992 spectrum    1 weight  0.10000E+01 volume  0.32463E-02 ppm1      4.730 ppm2      0.388 CV     1
 ASSI {  993}
   (  segid " 1SG" and resid 4    and name HG2%)
   (( segid " 1SG" and resid 96   and name HB2 ))
      2.500     0.800     0.800 peak   993 spectrum    1 weight  0.10000E+01 volume  0.32380E-02 ppm1      0.918 ppm2      1.588 CV     1
 ASSI { 1004}
   (( segid " 1SG" and resid 33   and name HA  ))
   (( segid " 1SG" and resid 33   and name HB2 ))
      2.400     0.700     0.700 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.31816E-02 ppm1      4.459 ppm2      1.732 CV     1
 ASSI { 1006}
   (( segid " 1SG" and resid 57   and name HA  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      2.200     0.600     0.600 peak  1006 spectrum    1 weight  0.10000E+01 volume  0.31766E-02 ppm1      5.429 ppm2      1.472 CV     1
 ASSI { 1008}
   (( segid " 1SG" and resid 77   and name HA  ))
   (( segid " 1SG" and resid 21   and name HA  ))
      2.200     0.600     0.600 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.31725E-02 ppm1      4.665 ppm2      5.519 CV     1
 ASSI { 1009}
   (( segid " 1SG" and resid 84   and name HA  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      2.500     0.800     0.800 peak  1009 spectrum    1 weight  0.10000E+01 volume  0.31688E-02 ppm1      4.230 ppm2      1.496 CV     1
 ASSI { 1011}
   (  segid " 1SG" and resid 59   and name HD1%)
   (  segid " 1SG" and resid 53   and name HG2%)
      2.500     0.800     0.800 peak  1011 spectrum    1 weight  0.10000E+01 volume  0.31629E-02 ppm1      0.870 ppm2      1.085 CV     1
 ASSI { 1019}
   (( segid " 1SG" and resid 35   and name HA  ))
   (( segid " 1SG" and resid 36   and name HD2 ))
      2.500     0.800     0.800 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.31319E-02 ppm1      4.673 ppm2      3.509 CV     1
 ASSI { 1021}
   (  segid " 1SG" and resid 22   and name HD1%)
   (( segid " 1SG" and resid 22   and name HG12))
      2.400     0.700     0.700 peak  1021 spectrum    1 weight  0.10000E+01 volume  0.31258E-02 ppm1      0.548 ppm2      0.108 CV     1
 OR { 1021}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 22   and name HG12))
 ASSI { 1023}
   (( segid " 1SG" and resid 108  and name HA  ))
   (  segid " 1SG" and resid 18   and name HG2%)
      2.500     0.800     0.800 peak  1023 spectrum    1 weight  0.10000E+01 volume  0.31207E-02 ppm1      4.150 ppm2      0.966 CV     1
 OR { 1023}
   (( segid " 1SG" and resid 108  and name HA  ))
   (  segid " 1SG" and resid 18   and name HG1%)
 ASSI { 1031}
   (  segid " 1SG" and resid 76   and name HG2%)
   (( segid " 1SG" and resid 80   and name HB1 ))
      2.800     2.800     3.200 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.30976E-02 ppm1      0.825 ppm2      1.940 CV     1
 OR { 1031}
   (  segid " 1SG" and resid 76   and name HG2%)
   (( segid " 1SG" and resid 80   and name HB2 ))
 ASSI { 1037}
   (  segid " 1SG" and resid 91   and name HG2%)
   (( segid " 1SG" and resid 91   and name HA  ))
      2.600     0.800     0.800 peak  1037 spectrum    1 weight  0.10000E+01 volume  0.30687E-02 ppm1      0.180 ppm2      4.756 CV     1
 OR { 1037}
   (  segid " 1SG" and resid 91   and name HG1%)
   (( segid " 1SG" and resid 91   and name HA  ))
 ASSI { 1038}
   (( segid " 1SG" and resid 53   and name HB  ))
   (( segid " 1SG" and resid 52   and name HB2 ))
      3.100     3.100     2.900 peak  1038 spectrum    1 weight  0.10000E+01 volume  0.30685E-02 ppm1      2.169 ppm2      1.731 CV     1
 ASSI { 1045}
   (( segid " 1SG" and resid 48   and name HB2 ))
   (( segid " 1SG" and resid 47   and name HB  ))
      2.800     2.800     3.200 peak  1045 spectrum    1 weight  0.10000E+01 volume  0.30362E-02 ppm1      2.947 ppm2      2.479 CV     1
 ASSI { 1047}
   (( segid " 1SG" and resid 16   and name HB  ))
   (( segid " 1SG" and resid 16   and name HA  ))
      2.500     0.800     0.800 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.30310E-02 ppm1      1.820 ppm2      4.604 CV     1
 ASSI { 1051}
   (( segid " 1SG" and resid 43   and name HD2 ))
   (  segid " 1SG" and resid 59   and name HD1%)
      3.200     3.200     2.800 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.30199E-02 ppm1      1.331 ppm2      0.856 CV     1
 OR { 1051}
   (( segid " 1SG" and resid 43   and name HD1 ))
   (  segid " 1SG" and resid 59   and name HD1%)
 ASSI { 1055}
   (( segid " 1SG" and resid 71   and name HB2 ))
   (( segid " 1SG" and resid 69   and name HB  ))
      2.500     2.500     3.500 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.30078E-02 ppm1      1.264 ppm2      1.770 CV     1
 ASSI { 1057}
   (  segid " 1SG" and resid 79   and name HB% )
   (  segid " 1SG" and resid 106  and name HG2%)
      2.600     0.800     0.800 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.30042E-02 ppm1      1.196 ppm2      0.392 CV     1
 ASSI { 1058}
   (( segid " 1SG" and resid 94   and name HB2 ))
   (( segid " 1SG" and resid 94   and name HG1 ))
      2.500     0.800     0.800 peak  1058 spectrum    1 weight  0.10000E+01 volume  0.29975E-02 ppm1      1.791 ppm2      1.414 CV     1
 OR { 1058}
   (( segid " 1SG" and resid 94   and name HB2 ))
   (( segid " 1SG" and resid 94   and name HG2 ))
 ASSI { 1065}
   (( segid " 1SG" and resid 45   and name HG2 ))
   (  segid " 1SG" and resid 104  and name HD2%)
      2.900     2.900     3.100 peak  1065 spectrum    1 weight  0.10000E+01 volume  0.29709E-02 ppm1      0.602 ppm2      0.823 CV     1
 ASSI { 1068}
   (( segid " 1SG" and resid 35   and name HB1 ))
   (( segid " 1SG" and resid 35   and name HG2 ))
      2.500     0.800     0.800 peak  1068 spectrum    1 weight  0.10000E+01 volume  0.29526E-02 ppm1      1.791 ppm2      1.358 CV     1
 OR { 1068}
   (( segid " 1SG" and resid 35   and name HB2 ))
   (( segid " 1SG" and resid 35   and name HG2 ))
 OR { 1068}
   (( segid " 1SG" and resid 35   and name HB1 ))
   (( segid " 1SG" and resid 35   and name HG1 ))
 OR { 1068}
   (( segid " 1SG" and resid 35   and name HB2 ))
   (( segid " 1SG" and resid 35   and name HG1 ))
 ASSI { 1077}
   (  segid " 1SG" and resid 69   and name HG1%)
   (( segid " 1SG" and resid 29   and name HA  ))
      2.500     0.800     0.800 peak  1077 spectrum    1 weight  0.10000E+01 volume  0.29158E-02 ppm1      0.863 ppm2      4.391 CV     1
 OR { 1077}
   (  segid " 1SG" and resid 69   and name HG2%)
   (( segid " 1SG" and resid 29   and name HA  ))
 ASSI { 1078}
   (( segid " 1SG" and resid 76   and name HB  ))
   (  segid " 1SG" and resid 76   and name HG2%)
      2.400     0.700     0.700 peak  1078 spectrum    1 weight  0.10000E+01 volume  0.28970E-02 ppm1      1.936 ppm2      0.826 CV     1
 ASSI { 1080}
   (( segid " 1SG" and resid 58   and name HB1 ))
   (( segid " 1SG" and resid 58   and name HG2 ))
      2.500     0.800     0.800 peak  1080 spectrum    1 weight  0.10000E+01 volume  0.28909E-02 ppm1      2.406 ppm2      1.814 CV     1
 OR { 1080}
   (( segid " 1SG" and resid 58   and name HB2 ))
   (( segid " 1SG" and resid 58   and name HG2 ))
 ASSI { 1081}
   (( segid " 1SG" and resid 76   and name HB  ))
   (  segid " 1SG" and resid 22   and name HG2%)
      2.400     2.400     3.600 peak  1081 spectrum    1 weight  0.10000E+01 volume  0.28891E-02 ppm1      1.938 ppm2      0.610 CV     1
 ASSI { 1082}
   (( segid " 1SG" and resid 57   and name HG  ))
   (  segid " 1SG" and resid 74   and name HD1%)
      2.900     1.000     1.000 peak  1082 spectrum    1 weight  0.10000E+01 volume  0.28853E-02 ppm1      0.751 ppm2      0.415 CV     1
 OR { 1082}
   (( segid " 1SG" and resid 57   and name HG  ))
   (  segid " 1SG" and resid 74   and name HD2%)
 ASSI { 1083}
   (( segid " 1SG" and resid 22   and name HG12))
   (( segid " 1SG" and resid 104  and name HB2 ))
      2.200     0.600     0.600 peak  1083 spectrum    1 weight  0.10000E+01 volume  0.28845E-02 ppm1      0.106 ppm2      1.251 CV     1
 ASSI { 1088}
   (  segid " 1SG" and resid 39   and name HG2%)
   (( segid " 1SG" and resid 39   and name HA  ))
      2.600     0.800     0.800 peak  1088 spectrum    1 weight  0.10000E+01 volume  0.28808E-02 ppm1     -0.447 ppm2      4.803 CV     1
 ASSI { 1092}
   (( segid " 1SG" and resid 18   and name HA  ))
   (  segid " 1SG" and resid 18   and name HG1%)
      2.500     0.800     0.800 peak  1092 spectrum    1 weight  0.10000E+01 volume  0.28575E-02 ppm1      3.510 ppm2      0.968 CV     1
 OR { 1092}
   (( segid " 1SG" and resid 18   and name HA  ))
   (  segid " 1SG" and resid 18   and name HG2%)
 ASSI { 1095}
   (( segid " 1SG" and resid 9    and name HG2 ))
   (( segid " 1SG" and resid 9    and name HB2 ))
      2.600     0.900     0.900 peak  1095 spectrum    1 weight  0.10000E+01 volume  0.28491E-02 ppm1      2.524 ppm2      1.911 CV     1
 ASSI { 1097}
   (( segid " 1SG" and resid 18   and name HA  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      2.400     0.700     0.700 peak  1097 spectrum    1 weight  0.10000E+01 volume  0.28401E-02 ppm1      3.516 ppm2      0.390 CV     1
 ASSI { 1101}
   (  segid " 1SG" and resid 28   and name HG1%)
   (  segid " 1SG" and resid 91   and name HG2%)
      2.600     0.800     0.800 peak  1101 spectrum    1 weight  0.10000E+01 volume  0.28154E-02 ppm1      0.830 ppm2      0.179 CV     1
 OR { 1101}
   (  segid " 1SG" and resid 28   and name HG1%)
   (  segid " 1SG" and resid 91   and name HG1%)
 ASSI { 1102}
   (( segid " 1SG" and resid 27   and name HD1 ))
   (( segid " 1SG" and resid 27   and name HG1 ))
      2.500     0.800     0.800 peak  1102 spectrum    1 weight  0.10000E+01 volume  0.28115E-02 ppm1      3.131 ppm2      1.704 CV     1
 OR { 1102}
   (( segid " 1SG" and resid 27   and name HD2 ))
   (( segid " 1SG" and resid 27   and name HG2 ))
 OR { 1102}
   (( segid " 1SG" and resid 27   and name HD2 ))
   (( segid " 1SG" and resid 27   and name HG1 ))
 OR { 1102}
   (( segid " 1SG" and resid 27   and name HD1 ))
   (( segid " 1SG" and resid 27   and name HG2 ))
 ASSI { 1105}
   (  segid " 1SG" and resid 28   and name HG2%)
   (( segid " 1SG" and resid 28   and name HA  ))
      2.600     0.800     0.800 peak  1105 spectrum    1 weight  0.10000E+01 volume  0.27904E-02 ppm1      0.652 ppm2      4.910 CV     1
 ASSI { 1109}
   (( segid " 1SG" and resid 3    and name HB2 ))
   (( segid " 1SG" and resid 3    and name HA  ))
      2.600     0.800     0.800 peak  1109 spectrum    1 weight  0.10000E+01 volume  0.27823E-02 ppm1      2.293 ppm2      4.452 CV     1
 OR { 1109}
   (( segid " 1SG" and resid 3    and name HB1 ))
   (( segid " 1SG" and resid 3    and name HA  ))
 ASSI { 1115}
   (( segid " 1SG" and resid 52   and name HD2 ))
   (( segid " 1SG" and resid 52   and name HA  ))
      2.600     0.900     0.900 peak  1115 spectrum    1 weight  0.10000E+01 volume  0.27760E-02 ppm1      1.579 ppm2      4.625 CV     1
 OR { 1115}
   (( segid " 1SG" and resid 52   and name HD1 ))
   (( segid " 1SG" and resid 52   and name HA  ))
 ASSI { 1118}
   (( segid " 1SG" and resid 43   and name HD1 ))
   (  segid " 1SG" and resid 47   and name HG1%)
      2.700     0.900     0.900 peak  1118 spectrum    1 weight  0.10000E+01 volume  0.27583E-02 ppm1      1.324 ppm2      0.983 CV     1
 OR { 1118}
   (( segid " 1SG" and resid 43   and name HD2 ))
   (  segid " 1SG" and resid 47   and name HG1%)
 ASSI { 1127}
   (( segid " 1SG" and resid 107  and name HA  ))
   (( segid " 1SG" and resid 107  and name HB2 ))
      2.600     0.800     0.800 peak  1127 spectrum    1 weight  0.10000E+01 volume  0.27278E-02 ppm1      4.805 ppm2      3.085 CV     1
 OR { 1127}
   (( segid " 1SG" and resid 107  and name HA  ))
   (( segid " 1SG" and resid 107  and name HB1 ))
 ASSI { 1129}
   (( segid " 1SG" and resid 96   and name HA  ))
   (( segid " 1SG" and resid 96   and name HG2 ))
      2.400     0.700     0.700 peak  1129 spectrum    1 weight  0.10000E+01 volume  0.27213E-02 ppm1      4.790 ppm2      1.336 CV     1
 OR { 1129}
   (( segid " 1SG" and resid 96   and name HA  ))
   (( segid " 1SG" and resid 96   and name HG1 ))
 ASSI { 1135}
   (  segid " 1SG" and resid 59   and name HD2%)
   (( segid " 1SG" and resid 74   and name HA  ))
      3.000     1.100     1.100 peak  1135 spectrum    1 weight  0.10000E+01 volume  0.27082E-02 ppm1      0.717 ppm2      4.346 CV     1
 ASSI { 1151}
   (( segid " 1SG" and resid 18   and name HA  ))
   (  segid " 1SG" and resid 18   and name HG1%)
      2.500     0.800     0.800 peak  1151 spectrum    1 weight  0.10000E+01 volume  0.26676E-02 ppm1      3.513 ppm2      1.007 CV     1
 ASSI { 1152}
   (  segid " 1SG" and resid 69   and name HG1%)
   (( segid " 1SG" and resid 27   and name HD2 ))
      2.600     0.900     0.900 peak  1152 spectrum    1 weight  0.10000E+01 volume  0.26675E-02 ppm1      0.852 ppm2      3.126 CV     1
 OR { 1152}
   (  segid " 1SG" and resid 69   and name HG1%)
   (( segid " 1SG" and resid 27   and name HD1 ))
 ASSI { 1153}
   (( segid " 1SG" and resid 17   and name HA  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      2.600     0.800     0.800 peak  1153 spectrum    1 weight  0.10000E+01 volume  0.26670E-02 ppm1      4.789 ppm2      1.298 CV     1
 ASSI { 1154}
   (( segid " 1SG" and resid 15   and name HA  ))
   (( segid " 1SG" and resid 15   and name HB2 ))
      2.600     0.800     0.800 peak  1154 spectrum    1 weight  0.10000E+01 volume  0.26664E-02 ppm1      5.494 ppm2      2.015 CV     1
 OR { 1154}
   (( segid " 1SG" and resid 15   and name HA  ))
   (( segid " 1SG" and resid 15   and name HB1 ))
 ASSI { 1155}
   (( segid " 1SG" and resid 71   and name HB2 ))
   (  segid " 1SG" and resid 8    and name HG1%)
      2.200     2.200     3.800 peak  1155 spectrum    1 weight  0.10000E+01 volume  0.26635E-02 ppm1      1.326 ppm2      0.961 CV     1
 OR { 1155}
   (( segid " 1SG" and resid 71   and name HB2 ))
   (  segid " 1SG" and resid 8    and name HG2%)
 ASSI { 1156}
   (  segid " 1SG" and resid 59   and name HD2%)
   (( segid " 1SG" and resid 59   and name HB2 ))
      2.600     0.900     0.900 peak  1156 spectrum    1 weight  0.10000E+01 volume  0.26609E-02 ppm1      0.714 ppm2      1.697 CV     1
 OR { 1156}
   (  segid " 1SG" and resid 59   and name HD2%)
   (( segid " 1SG" and resid 59   and name HB1 ))
 ASSI { 1161}
   (( segid " 1SG" and resid 59   and name HB2 ))
   (  segid " 1SG" and resid 59   and name HD1%)
      2.500     0.800     0.800 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.26373E-02 ppm1      1.712 ppm2      0.868 CV     1
 OR { 1161}
   (( segid " 1SG" and resid 59   and name HB1 ))
   (  segid " 1SG" and resid 59   and name HD1%)
 ASSI { 1176}
   (  segid " 1SG" and resid 4    and name HG2%)
   (  segid " 1SG" and resid 6    and name HD2%)
      2.900     1.100     1.100 peak  1176 spectrum    1 weight  0.10000E+01 volume  0.25832E-02 ppm1      0.914 ppm2      0.491 CV     1
 ASSI { 1183}
   (( segid " 1SG" and resid 45   and name HA  ))
   (( segid " 1SG" and resid 45   and name HG2 ))
      2.600     0.800     0.800 peak  1183 spectrum    1 weight  0.10000E+01 volume  0.25653E-02 ppm1      3.497 ppm2      0.609 CV     1
 OR { 1183}
   (( segid " 1SG" and resid 45   and name HA  ))
   (( segid " 1SG" and resid 45   and name HB2 ))
 ASSI { 1189}
   (( segid " 1SG" and resid 94   and name HA  ))
   (( segid " 1SG" and resid 94   and name HB2 ))
      2.700     0.900     0.900 peak  1189 spectrum    1 weight  0.10000E+01 volume  0.25558E-02 ppm1      4.042 ppm2      1.799 CV     1
 ASSI { 1190}
   (( segid " 1SG" and resid 2    and name HB2 ))
   (( segid " 1SG" and resid 1    and name HA  ))
      3.100     1.200     1.200 peak  1190 spectrum    1 weight  0.10000E+01 volume  0.25546E-02 ppm1      2.684 ppm2      4.619 CV     1
 ASSI { 1191}
   (  segid " 1SG" and resid 76   and name HD1%)
   (( segid " 1SG" and resid 59   and name HG  ))
      2.200     2.200     3.800 peak  1191 spectrum    1 weight  0.10000E+01 volume  0.25518E-02 ppm1      0.677 ppm2      1.411 CV     1
 ASSI { 1193}
   (( segid " 1SG" and resid 43   and name HE2 ))
   (( segid " 1SG" and resid 43   and name HD1 ))
      2.500     0.800     0.800 peak  1193 spectrum    1 weight  0.10000E+01 volume  0.25479E-02 ppm1      2.518 ppm2      1.326 CV     1
 OR { 1193}
   (( segid " 1SG" and resid 43   and name HE2 ))
   (( segid " 1SG" and resid 43   and name HD2 ))
 ASSI { 1202}
   (( segid " 1SG" and resid 2    and name HB2 ))
   (( segid " 1SG" and resid 96   and name HE2 ))
      3.100     3.100     2.900 peak  1202 spectrum    1 weight  0.10000E+01 volume  0.24917E-02 ppm1      2.692 ppm2      2.944 CV     1
 OR { 1202}
   (( segid " 1SG" and resid 2    and name HB2 ))
   (( segid " 1SG" and resid 96   and name HE1 ))
 ASSI { 1205}
   (  segid " 1SG" and resid 28   and name HG2%)
   (( segid " 1SG" and resid 28   and name HB  ))
      2.600     0.800     0.800 peak  1205 spectrum    1 weight  0.10000E+01 volume  0.24859E-02 ppm1      0.652 ppm2      1.978 CV     1
 ASSI { 1215}
   (( segid " 1SG" and resid 25   and name HB2 ))
   (  segid " 1SG" and resid 71   and name HD1%)
      2.700     0.900     0.900 peak  1215 spectrum    1 weight  0.10000E+01 volume  0.24478E-02 ppm1      3.603 ppm2      0.862 CV     1
 ASSI { 1219}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 22   and name HB  ))
      2.500     0.800     0.800 peak  1219 spectrum    1 weight  0.10000E+01 volume  0.24382E-02 ppm1      0.612 ppm2      1.535 CV     1
 ASSI { 1220}
   (  segid " 1SG" and resid 28   and name HG1%)
   (( segid " 1SG" and resid 28   and name HB  ))
      2.600     0.800     0.800 peak  1220 spectrum    1 weight  0.10000E+01 volume  0.24302E-02 ppm1      0.816 ppm2      1.976 CV     1
 ASSI { 1223}
   (( segid " 1SG" and resid 53   and name HB  ))
   (( segid " 1SG" and resid 53   and name HA  ))
      2.600     0.800     0.800 peak  1223 spectrum    1 weight  0.10000E+01 volume  0.24200E-02 ppm1      2.132 ppm2      4.051 CV     1
 ASSI { 1236}
   (( segid " 1SG" and resid 59   and name HA  ))
   (( segid " 1SG" and resid 59   and name HB1 ))
      2.500     0.800     0.800 peak  1236 spectrum    1 weight  0.10000E+01 volume  0.23890E-02 ppm1      5.198 ppm2      1.702 CV     1
 OR { 1236}
   (( segid " 1SG" and resid 59   and name HA  ))
   (( segid " 1SG" and resid 59   and name HB2 ))
 ASSI { 1239}
   (( segid " 1SG" and resid 64   and name HA  ))
   (( segid " 1SG" and resid 64   and name HB2 ))
      2.700     0.900     0.900 peak  1239 spectrum    1 weight  0.10000E+01 volume  0.23847E-02 ppm1      4.580 ppm2      2.354 CV     1
 ASSI { 1242}
   (( segid " 1SG" and resid 43   and name HD2 ))
   (( segid " 1SG" and resid 57   and name HG  ))
      2.400     0.700     0.700 peak  1242 spectrum    1 weight  0.10000E+01 volume  0.23787E-02 ppm1      1.333 ppm2      0.743 CV     1
 OR { 1242}
   (( segid " 1SG" and resid 43   and name HD1 ))
   (( segid " 1SG" and resid 57   and name HG  ))
 ASSI { 1243}
   (( segid " 1SG" and resid 22   and name HG12))
   (  segid " 1SG" and resid 22   and name HD1%)
      2.500     0.800     0.800 peak  1243 spectrum    1 weight  0.10000E+01 volume  0.23750E-02 ppm1      0.102 ppm2      0.551 CV     1
 ASSI { 1244}
   (( segid " 1SG" and resid 52   and name HE2 ))
   (( segid " 1SG" and resid 52   and name HD1 ))
      2.600     0.800     0.800 peak  1244 spectrum    1 weight  0.10000E+01 volume  0.23723E-02 ppm1      2.788 ppm2      1.574 CV     1
 OR { 1244}
   (( segid " 1SG" and resid 52   and name HE2 ))
   (( segid " 1SG" and resid 52   and name HD2 ))
 ASSI { 1246}
   (  segid " 1SG" and resid 104  and name HD1%)
   (( segid " 1SG" and resid 104  and name HB2 ))
      2.400     0.700     0.700 peak  1246 spectrum    1 weight  0.10000E+01 volume  0.23686E-02 ppm1      0.976 ppm2      1.219 CV     1
 ASSI { 1251}
   (( segid " 1SG" and resid 80   and name HA  ))
   (( segid " 1SG" and resid 81   and name HD2 ))
      2.600     0.800     0.800 peak  1251 spectrum    1 weight  0.10000E+01 volume  0.23549E-02 ppm1      4.639 ppm2      3.592 CV     1
 ASSI { 1254}
   (( segid " 1SG" and resid 57   and name HA  ))
   (( segid " 1SG" and resid 76   and name HA  ))
      2.400     0.700     0.700 peak  1254 spectrum    1 weight  0.10000E+01 volume  0.23488E-02 ppm1      5.425 ppm2      5.012 CV     1
 ASSI { 1255}
   (( segid " 1SG" and resid 45   and name HB2 ))
   (  segid " 1SG" and resid 104  and name HD2%)
      2.800     2.800     3.200 peak  1255 spectrum    1 weight  0.10000E+01 volume  0.23481E-02 ppm1      0.615 ppm2      0.827 CV     1
 ASSI { 1259}
   (( segid " 1SG" and resid 22   and name HA  ))
   (( segid " 1SG" and resid 22   and name HB  ))
      2.500     0.800     0.800 peak  1259 spectrum    1 weight  0.10000E+01 volume  0.23414E-02 ppm1      4.352 ppm2      1.534 CV     1
 ASSI { 1267}
   (( segid " 1SG" and resid 59   and name HG  ))
   (( segid " 1SG" and resid 57   and name HG  ))
      3.300     3.300     2.700 peak  1267 spectrum    1 weight  0.10000E+01 volume  0.23180E-02 ppm1      1.460 ppm2      0.749 CV     1
 ASSI { 1272}
   (( segid " 1SG" and resid 58   and name HA  ))
   (( segid " 1SG" and resid 58   and name HB1 ))
      2.600     0.800     0.800 peak  1272 spectrum    1 weight  0.10000E+01 volume  0.23051E-02 ppm1      4.626 ppm2      2.405 CV     1
 OR { 1272}
   (( segid " 1SG" and resid 58   and name HA  ))
   (( segid " 1SG" and resid 58   and name HB2 ))
 ASSI { 1274}
   (( segid " 1SG" and resid 65   and name HA  ))
   (( segid " 1SG" and resid 65   and name HG2 ))
      2.700     0.900     0.900 peak  1274 spectrum    1 weight  0.10000E+01 volume  0.22955E-02 ppm1      3.458 ppm2      1.692 CV     1
 OR { 1274}
   (( segid " 1SG" and resid 65   and name HA  ))
   (( segid " 1SG" and resid 65   and name HG1 ))
 ASSI { 1281}
   (( segid " 1SG" and resid 49   and name HG  ))
   (( segid " 1SG" and resid 43   and name HD2 ))
      2.500     0.800     0.800 peak  1281 spectrum    1 weight  0.10000E+01 volume  0.22832E-02 ppm1      0.802 ppm2      1.337 CV     1
 OR { 1281}
   (( segid " 1SG" and resid 49   and name HG  ))
   (( segid " 1SG" and resid 43   and name HD1 ))
 ASSI { 1282}
   (( segid " 1SG" and resid 78   and name HA  ))
   (( segid " 1SG" and resid 78   and name HB2 ))
      2.700     0.900     0.900 peak  1282 spectrum    1 weight  0.10000E+01 volume  0.22810E-02 ppm1      4.117 ppm2      2.383 CV     1
 ASSI { 1285}
   (  segid " 1SG" and resid 8    and name HG2%)
   (( segid " 1SG" and resid 29   and name HA  ))
      2.700     0.900     0.900 peak  1285 spectrum    1 weight  0.10000E+01 volume  0.22763E-02 ppm1      0.964 ppm2      4.391 CV     1
 OR { 1285}
   (  segid " 1SG" and resid 8    and name HG1%)
   (( segid " 1SG" and resid 29   and name HA  ))
 ASSI { 1286}
   (  segid " 1SG" and resid 8    and name HG2%)
   (  segid " 1SG" and resid 6    and name HD2%)
      3.100     3.100     2.900 peak  1286 spectrum    1 weight  0.10000E+01 volume  0.22757E-02 ppm1      0.928 ppm2      0.476 CV     1
 OR { 1286}
   (  segid " 1SG" and resid 8    and name HG1%)
   (  segid " 1SG" and resid 6    and name HD2%)
 ASSI { 1288}
   (( segid " 1SG" and resid 96   and name HA  ))
   (( segid " 1SG" and resid 94   and name HE2 ))
      2.900     1.000     1.000 peak  1288 spectrum    1 weight  0.10000E+01 volume  0.22609E-02 ppm1      4.809 ppm2      3.001 CV     1
 OR { 1288}
   (( segid " 1SG" and resid 96   and name HA  ))
   (( segid " 1SG" and resid 94   and name HE1 ))
 ASSI { 1297}
   (( segid " 1SG" and resid 52   and name HE2 ))
   (( segid " 1SG" and resid 52   and name HG1 ))
      2.800     1.000     1.000 peak  1297 spectrum    1 weight  0.10000E+01 volume  0.22464E-02 ppm1      2.788 ppm2      1.344 CV     1
 OR { 1297}
   (( segid " 1SG" and resid 52   and name HE2 ))
   (( segid " 1SG" and resid 52   and name HG2 ))
 ASSI { 1298}
   (( segid " 1SG" and resid 49   and name HG  ))
   (( segid " 1SG" and resid 43   and name HB2 ))
      2.300     0.700     0.700 peak  1298 spectrum    1 weight  0.10000E+01 volume  0.22442E-02 ppm1      0.801 ppm2      1.228 CV     1
 ASSI { 1302}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 22   and name HG12))
      2.600     0.800     0.800 peak  1302 spectrum    1 weight  0.10000E+01 volume  0.22363E-02 ppm1      0.611 ppm2      0.097 CV     1
 ASSI { 1303}
   (( segid " 1SG" and resid 94   and name HG2 ))
   (( segid " 1SG" and resid 94   and name HA  ))
      3.000     1.100     1.100 peak  1303 spectrum    1 weight  0.10000E+01 volume  0.22360E-02 ppm1      1.416 ppm2      4.044 CV     1
 OR { 1303}
   (( segid " 1SG" and resid 94   and name HG1 ))
   (( segid " 1SG" and resid 94   and name HA  ))
 ASSI { 1309}
   (( segid " 1SG" and resid 96   and name HA  ))
   (( segid " 1SG" and resid 96   and name HB2 ))
      2.600     0.800     0.800 peak  1309 spectrum    1 weight  0.10000E+01 volume  0.22295E-02 ppm1      4.786 ppm2      1.579 CV     1
 ASSI { 1319}
   (  segid " 1SG" and resid 76   and name HG2%)
   (( segid " 1SG" and resid 76   and name HA  ))
      2.600     0.800     0.800 peak  1319 spectrum    1 weight  0.10000E+01 volume  0.22091E-02 ppm1      0.823 ppm2      5.012 CV     1
 ASSI { 1324}
   (  segid " 1SG" and resid 6    and name HD2%)
   (  segid " 1SG" and resid 93   and name HG2%)
      2.900     1.100     1.100 peak  1324 spectrum    1 weight  0.10000E+01 volume  0.21994E-02 ppm1      0.426 ppm2      1.033 CV     1
 ASSI { 1327}
   (( segid " 1SG" and resid 68   and name HE1 ))
   (( segid " 1SG" and resid 37   and name HD2 ))
      2.200     2.200     3.800 peak  1327 spectrum    1 weight  0.10000E+01 volume  0.21919E-02 ppm1      3.032 ppm2      2.376 CV     1
 OR { 1327}
   (( segid " 1SG" and resid 68   and name HE2 ))
   (( segid " 1SG" and resid 37   and name HD2 ))
 ASSI { 1333}
   (( segid " 1SG" and resid 3    and name HA  ))
   (( segid " 1SG" and resid 4    and name HB  ))
      3.300     1.400     1.400 peak  1333 spectrum    1 weight  0.10000E+01 volume  0.21752E-02 ppm1      4.450 ppm2      2.008 CV     1
 ASSI { 1335}
   (( segid " 1SG" and resid 27   and name HA  ))
   (( segid " 1SG" and resid 27   and name HB2 ))
      2.500     0.800     0.800 peak  1335 spectrum    1 weight  0.10000E+01 volume  0.21662E-02 ppm1      5.836 ppm2      1.599 CV     1
 OR { 1335}
   (( segid " 1SG" and resid 27   and name HA  ))
   (( segid " 1SG" and resid 27   and name HB1 ))
 ASSI { 1338}
   (( segid " 1SG" and resid 19   and name HA1 ))
   (( segid " 1SG" and resid 78   and name HA  ))
      2.800     1.000     1.000 peak  1338 spectrum    1 weight  0.10000E+01 volume  0.21602E-02 ppm1      4.274 ppm2      4.121 CV     1
 OR { 1338}
   (( segid " 1SG" and resid 19   and name HA2 ))
   (( segid " 1SG" and resid 78   and name HA  ))
 ASSI { 1343}
   (( segid " 1SG" and resid 35   and name HB1 ))
   (( segid " 1SG" and resid 35   and name HA  ))
      2.600     0.900     0.900 peak  1343 spectrum    1 weight  0.10000E+01 volume  0.21539E-02 ppm1      1.791 ppm2      4.667 CV     1
 OR { 1343}
   (( segid " 1SG" and resid 35   and name HB2 ))
   (( segid " 1SG" and resid 35   and name HA  ))
 ASSI { 1346}
   (  segid " 1SG" and resid 69   and name HG2%)
   (( segid " 1SG" and resid 67   and name HB2 ))
      2.800     1.000     1.000 peak  1346 spectrum    1 weight  0.10000E+01 volume  0.21482E-02 ppm1      0.868 ppm2      3.737 CV     1
 OR { 1346}
   (  segid " 1SG" and resid 69   and name HG2%)
   (( segid " 1SG" and resid 67   and name HB1 ))
 ASSI { 1351}
   (( segid " 1SG" and resid 59   and name HB1 ))
   (( segid " 1SG" and resid 59   and name HG  ))
      2.500     0.800     0.800 peak  1351 spectrum    1 weight  0.10000E+01 volume  0.21369E-02 ppm1      1.699 ppm2      1.439 CV     1
 OR { 1351}
   (( segid " 1SG" and resid 59   and name HB2 ))
   (( segid " 1SG" and resid 59   and name HG  ))
 ASSI { 1353}
   (  segid " 1SG" and resid 104  and name HD2%)
   (( segid " 1SG" and resid 104  and name HB2 ))
      3.200     1.300     1.300 peak  1353 spectrum    1 weight  0.10000E+01 volume  0.21357E-02 ppm1      0.836 ppm2      1.210 CV     1
 ASSI { 1356}
   (  segid " 1SG" and resid 91   and name HG2%)
   (  segid " 1SG" and resid 39   and name HG1%)
      3.100     1.200     1.200 peak  1356 spectrum    1 weight  0.10000E+01 volume  0.21213E-02 ppm1      0.170 ppm2     -0.067 CV     1
 OR { 1356}
   (  segid " 1SG" and resid 91   and name HG1%)
   (  segid " 1SG" and resid 39   and name HG1%)
 ASSI { 1365}
   (( segid " 1SG" and resid 34   and name HG  ))
   (( segid " 1SG" and resid 35   and name HG1 ))
      2.800     1.000     1.000 peak  1365 spectrum    1 weight  0.10000E+01 volume  0.21076E-02 ppm1      0.938 ppm2      1.372 CV     1
 OR { 1365}
   (( segid " 1SG" and resid 34   and name HG  ))
   (( segid " 1SG" and resid 35   and name HG2 ))
 ASSI { 1367}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 22   and name HB  ))
      2.600     0.800     0.800 peak  1367 spectrum    1 weight  0.10000E+01 volume  0.21031E-02 ppm1      0.558 ppm2      1.537 CV     1
 OR { 1367}
   (  segid " 1SG" and resid 22   and name HD1%)
   (( segid " 1SG" and resid 22   and name HB  ))
 ASSI { 1368}
   (  segid " 1SG" and resid 106  and name HG2%)
   (( segid " 1SG" and resid 81   and name HA  ))
      2.600     0.800     0.800 peak  1368 spectrum    1 weight  0.10000E+01 volume  0.21025E-02 ppm1      0.389 ppm2      4.015 CV     1
 ASSI { 1375}
   (  segid " 1SG" and resid 4    and name HG2%)
   (  segid " 1SG" and resid 6    and name HD1%)
      2.600     0.900     0.900 peak  1375 spectrum    1 weight  0.10000E+01 volume  0.20803E-02 ppm1      0.911 ppm2      0.677 CV     1
 ASSI { 1378}
   (( segid " 1SG" and resid 68   and name HG1 ))
   (( segid " 1SG" and resid 68   and name HA  ))
      2.700     0.900     0.900 peak  1378 spectrum    1 weight  0.10000E+01 volume  0.20786E-02 ppm1      1.279 ppm2      3.604 CV     1
 OR { 1378}
   (( segid " 1SG" and resid 68   and name HG2 ))
   (( segid " 1SG" and resid 68   and name HA  ))
 ASSI { 1382}
   (  segid " 1SG" and resid 49   and name HD2%)
   (  segid " 1SG" and resid 49   and name HD1%)
      2.500     0.800     0.800 peak  1382 spectrum    1 weight  0.10000E+01 volume  0.20724E-02 ppm1      1.033 ppm2      1.768 CV     1
 ASSI { 1390}
   (( segid " 1SG" and resid 45   and name HE2 ))
   (( segid " 1SG" and resid 45   and name HD1 ))
      2.700     0.900     0.900 peak  1390 spectrum    1 weight  0.10000E+01 volume  0.20564E-02 ppm1      2.582 ppm2      1.239 CV     1
 OR { 1390}
   (( segid " 1SG" and resid 45   and name HE2 ))
   (( segid " 1SG" and resid 45   and name HD2 ))
 ASSI { 1393}
   (  segid " 1SG" and resid 6    and name HD1%)
   (  segid " 1SG" and resid 91   and name HG2%)
      2.900     1.000     1.000 peak  1393 spectrum    1 weight  0.10000E+01 volume  0.20479E-02 ppm1      0.673 ppm2      0.183 CV     1
 OR { 1393}
   (  segid " 1SG" and resid 6    and name HD1%)
   (  segid " 1SG" and resid 91   and name HG1%)
 ASSI { 1397}
   (( segid " 1SG" and resid 22   and name HB  ))
   (  segid " 1SG" and resid 22   and name HD1%)
      2.700     0.900     0.900 peak  1397 spectrum    1 weight  0.10000E+01 volume  0.20399E-02 ppm1      1.541 ppm2      0.551 CV     1
 ASSI { 1399}
   (( segid " 1SG" and resid 31   and name HA  ))
   (( segid " 1SG" and resid 68   and name HD1 ))
      2.700     0.900     0.900 peak  1399 spectrum    1 weight  0.10000E+01 volume  0.20358E-02 ppm1      4.175 ppm2      1.683 CV     1
 OR { 1399}
   (( segid " 1SG" and resid 31   and name HA  ))
   (( segid " 1SG" and resid 68   and name HD2 ))
 ASSI { 1400}
   (( segid " 1SG" and resid 91   and name HA  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      2.700     0.900     0.900 peak  1400 spectrum    1 weight  0.10000E+01 volume  0.20337E-02 ppm1      4.748 ppm2      0.161 CV     1
 ASSI { 1402}
   (( segid " 1SG" and resid 68   and name HG2 ))
   (( segid " 1SG" and resid 68   and name HB2 ))
      2.800     1.000     1.000 peak  1402 spectrum    1 weight  0.10000E+01 volume  0.20297E-02 ppm1      1.273 ppm2      1.772 CV     1
 OR { 1402}
   (( segid " 1SG" and resid 68   and name HG1 ))
   (( segid " 1SG" and resid 68   and name HB2 ))
 ASSI { 1406}
   (  segid " 1SG" and resid 53   and name HG1%)
   (( segid " 1SG" and resid 58   and name HA  ))
      2.800     1.000     1.000 peak  1406 spectrum    1 weight  0.10000E+01 volume  0.20215E-02 ppm1      1.121 ppm2      4.624 CV     1
 ASSI { 1408}
   (( segid " 1SG" and resid 28   and name HA  ))
   (  segid " 1SG" and resid 28   and name HG1%)
      2.700     0.900     0.900 peak  1408 spectrum    1 weight  0.10000E+01 volume  0.20168E-02 ppm1      4.915 ppm2      0.817 CV     1
 ASSI { 1412}
   (  segid " 1SG" and resid 74   and name HD2%)
   (( segid " 1SG" and resid 59   and name HG  ))
      2.600     0.900     0.900 peak  1412 spectrum    1 weight  0.10000E+01 volume  0.20090E-02 ppm1      0.409 ppm2      1.447 CV     1
 OR { 1412}
   (  segid " 1SG" and resid 74   and name HD1%)
   (( segid " 1SG" and resid 59   and name HG  ))
 ASSI { 1420}
   (( segid " 1SG" and resid 75   and name HA  ))
   (( segid " 1SG" and resid 75   and name HB1 ))
      2.700     0.900     0.900 peak  1420 spectrum    1 weight  0.10000E+01 volume  0.19893E-02 ppm1      5.087 ppm2      2.897 CV     1
 OR { 1420}
   (( segid " 1SG" and resid 75   and name HA  ))
   (( segid " 1SG" and resid 75   and name HB2 ))
 ASSI { 1421}
   (( segid " 1SG" and resid 45   and name HD2 ))
   (  segid " 1SG" and resid 104  and name HD2%)
      2.900     2.900     3.100 peak  1421 spectrum    1 weight  0.10000E+01 volume  0.19878E-02 ppm1      1.234 ppm2      0.834 CV     1
 OR { 1421}
   (( segid " 1SG" and resid 45   and name HD1 ))
   (  segid " 1SG" and resid 104  and name HD2%)
 ASSI { 1426}
   (( segid " 1SG" and resid 2    and name HA  ))
   (( segid " 1SG" and resid 2    and name HB2 ))
      2.700     0.900     0.900 peak  1426 spectrum    1 weight  0.10000E+01 volume  0.19820E-02 ppm1      4.912 ppm2      2.661 CV     1
 ASSI { 1428}
   (( segid " 1SG" and resid 33   and name HG  ))
   (( segid " 1SG" and resid 37   and name HG2 ))
      3.400     1.500     1.500 peak  1428 spectrum    1 weight  0.10000E+01 volume  0.19810E-02 ppm1      0.929 ppm2      1.379 CV     1
 OR { 1428}
   (( segid " 1SG" and resid 33   and name HG  ))
   (( segid " 1SG" and resid 37   and name HB2 ))
 ASSI { 1433}
   (( segid " 1SG" and resid 105  and name HB  ))
   (( segid " 1SG" and resid 15   and name HA  ))
      2.700     0.900     0.900 peak  1433 spectrum    1 weight  0.10000E+01 volume  0.19768E-02 ppm1      3.901 ppm2      5.501 CV     1
 ASSI { 1435}
   (( segid " 1SG" and resid 12   and name HA  ))
   (( segid " 1SG" and resid 12   and name HG2 ))
      2.900     1.100     1.100 peak  1435 spectrum    1 weight  0.10000E+01 volume  0.19751E-02 ppm1      4.685 ppm2      2.479 CV     1
 OR { 1435}
   (( segid " 1SG" and resid 12   and name HA  ))
   (( segid " 1SG" and resid 12   and name HG1 ))
 ASSI { 1437}
   (( segid " 1SG" and resid 61   and name HA  ))
   (( segid " 1SG" and resid 61   and name HB2 ))
      2.800     1.000     1.000 peak  1437 spectrum    1 weight  0.10000E+01 volume  0.19737E-02 ppm1      5.569 ppm2      2.306 CV     1
 ASSI { 1443}
   (( segid " 1SG" and resid 22   and name HA  ))
   (( segid " 1SG" and resid 104  and name HB2 ))
      3.400     3.400     2.600 peak  1443 spectrum    1 weight  0.10000E+01 volume  0.19620E-02 ppm1      4.357 ppm2      1.253 CV     1
 ASSI { 1453}
   (( segid " 1SG" and resid 4    and name HA  ))
   (  segid " 1SG" and resid 4    and name HD1%)
      3.000     1.100     1.100 peak  1453 spectrum    1 weight  0.10000E+01 volume  0.19481E-02 ppm1      4.030 ppm2      0.969 CV     1
 ASSI { 1456}
   (( segid " 1SG" and resid 9    and name HA  ))
   (( segid " 1SG" and resid 27   and name HD1 ))
      3.300     1.300     1.300 peak  1456 spectrum    1 weight  0.10000E+01 volume  0.19408E-02 ppm1      4.631 ppm2      3.112 CV     1
 OR { 1456}
   (( segid " 1SG" and resid 9    and name HA  ))
   (( segid " 1SG" and resid 27   and name HD2 ))
 ASSI { 1457}
   (( segid " 1SG" and resid 57   and name HG  ))
   (  segid " 1SG" and resid 49   and name HD2%)
      2.600     0.800     0.800 peak  1457 spectrum    1 weight  0.10000E+01 volume  0.19408E-02 ppm1      0.752 ppm2      1.025 CV     1
 ASSI { 1461}
   (( segid " 1SG" and resid 12   and name HB2 ))
   (( segid " 1SG" and resid 12   and name HA  ))
      2.900     1.100     1.100 peak  1461 spectrum    1 weight  0.10000E+01 volume  0.19299E-02 ppm1      1.970 ppm2      4.684 CV     1
 ASSI { 1470}
   (  segid " 1SG" and resid 106  and name HG1%)
   (( segid " 1SG" and resid 104  and name HG  ))
      2.800     1.000     1.000 peak  1470 spectrum    1 weight  0.10000E+01 volume  0.19203E-02 ppm1      0.689 ppm2      1.337 CV     1
 ASSI { 1471}
   (  segid " 1SG" and resid 76   and name HG2%)
   (( segid " 1SG" and resid 76   and name HG12))
      2.600     0.900     0.900 peak  1471 spectrum    1 weight  0.10000E+01 volume  0.19192E-02 ppm1      0.820 ppm2      1.098 CV     1
 ASSI { 1479}
   (( segid " 1SG" and resid 53   and name HA  ))
   (  segid " 1SG" and resid 57   and name HD2%)
      2.500     0.800     0.800 peak  1479 spectrum    1 weight  0.10000E+01 volume  0.19052E-02 ppm1      4.059 ppm2      0.613 CV     1
 OR { 1479}
   (( segid " 1SG" and resid 53   and name HA  ))
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI { 1481}
   (( segid " 1SG" and resid 40   and name HA  ))
   (( segid " 1SG" and resid 40   and name HB2 ))
      2.700     0.900     0.900 peak  1481 spectrum    1 weight  0.10000E+01 volume  0.19046E-02 ppm1      4.549 ppm2      1.359 CV     1
 ASSI { 1486}
   (( segid " 1SG" and resid 14   and name HA1 ))
   (  segid " 1SG" and resid 22   and name HD1%)
      2.600     0.800     0.800 peak  1486 spectrum    1 weight  0.10000E+01 volume  0.18988E-02 ppm1      3.757 ppm2      0.548 CV     1
 ASSI { 1488}
   (( segid " 1SG" and resid 45   and name HG2 ))
   (  segid " 1SG" and resid 47   and name HG1%)
      3.000     3.000     3.000 peak  1488 spectrum    1 weight  0.10000E+01 volume  0.18879E-02 ppm1      0.602 ppm2      0.994 CV     1
 ASSI { 1490}
   (  segid " 1SG" and resid 77   and name HG2%)
   (( segid " 1SG" and resid 22   and name HB  ))
      3.100     3.100     2.900 peak  1490 spectrum    1 weight  0.10000E+01 volume  0.18848E-02 ppm1      1.074 ppm2      1.515 CV     1
 ASSI { 1493}
   (( segid " 1SG" and resid 21   and name HA  ))
   (( segid " 1SG" and resid 21   and name HB2 ))
      2.700     0.900     0.900 peak  1493 spectrum    1 weight  0.10000E+01 volume  0.18815E-02 ppm1      5.515 ppm2      3.764 CV     1
 ASSI { 1494}
   (( segid " 1SG" and resid 74   and name HB2 ))
   (  segid " 1SG" and resid 74   and name HD2%)
      2.900     1.100     1.100 peak  1494 spectrum    1 weight  0.10000E+01 volume  0.18811E-02 ppm1     -0.825 ppm2      0.419 CV     1
 OR { 1494}
   (( segid " 1SG" and resid 74   and name HB2 ))
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI { 1497}
   (( segid " 1SG" and resid 71   and name HB2 ))
   (  segid " 1SG" and resid 71   and name HD2%)
      2.700     0.900     0.900 peak  1497 spectrum    1 weight  0.10000E+01 volume  0.18778E-02 ppm1      1.272 ppm2      0.752 CV     1
 ASSI { 1504}
   (( segid " 1SG" and resid 105  and name HB  ))
   (( segid " 1SG" and resid 15   and name HG2 ))
      2.800     1.000     1.000 peak  1504 spectrum    1 weight  0.10000E+01 volume  0.18688E-02 ppm1      3.909 ppm2      2.266 CV     1
 OR { 1504}
   (( segid " 1SG" and resid 105  and name HB  ))
   (( segid " 1SG" and resid 15   and name HG1 ))
 ASSI { 1508}
   (( segid " 1SG" and resid 76   and name HB  ))
   (  segid " 1SG" and resid 76   and name HD1%)
      2.700     0.900     0.900 peak  1508 spectrum    1 weight  0.10000E+01 volume  0.18586E-02 ppm1      1.941 ppm2      0.670 CV     1
 ASSI { 1515}
   (( segid " 1SG" and resid 18   and name HA  ))
   (( segid " 1SG" and resid 18   and name HB  ))
      2.700     0.900     0.900 peak  1515 spectrum    1 weight  0.10000E+01 volume  0.18500E-02 ppm1      3.515 ppm2      1.933 CV     1
 ASSI { 1516}
   (( segid " 1SG" and resid 36   and name HB2 ))
   (( segid " 1SG" and resid 36   and name HG2 ))
      2.600     0.800     0.800 peak  1516 spectrum    1 weight  0.10000E+01 volume  0.18480E-02 ppm1      1.634 ppm2      1.985 CV     1
 ASSI { 1518}
   (( segid " 1SG" and resid 34   and name HA  ))
   (( segid " 1SG" and resid 94   and name HA  ))
      3.300     3.300     2.700 peak  1518 spectrum    1 weight  0.10000E+01 volume  0.18467E-02 ppm1      4.293 ppm2      4.063 CV     1
 ASSI { 1523}
   (( segid " 1SG" and resid 59   and name HG  ))
   (  segid " 1SG" and resid 57   and name HD1%)
      3.200     1.300     1.300 peak  1523 spectrum    1 weight  0.10000E+01 volume  0.18370E-02 ppm1      1.446 ppm2      0.612 CV     1
 OR { 1523}
   (( segid " 1SG" and resid 59   and name HG  ))
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI { 1527}
   (  segid " 1SG" and resid 6    and name HD1%)
   (  segid " 1SG" and resid 28   and name HG1%)
      2.800     1.000     1.000 peak  1527 spectrum    1 weight  0.10000E+01 volume  0.18293E-02 ppm1      0.670 ppm2      0.820 CV     1
 ASSI { 1529}
   (( segid " 1SG" and resid 25   and name HA  ))
   (( segid " 1SG" and resid 73   and name HA  ))
      2.600     0.800     0.800 peak  1529 spectrum    1 weight  0.10000E+01 volume  0.18280E-02 ppm1      5.692 ppm2      5.470 CV     1
 ASSI { 1539}
   (( segid " 1SG" and resid 106  and name HA  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      2.700     0.900     0.900 peak  1539 spectrum    1 weight  0.10000E+01 volume  0.18155E-02 ppm1      4.721 ppm2      0.624 CV     1
 ASSI { 1545}
   (( segid " 1SG" and resid 14   and name HA2 ))
   (  segid " 1SG" and resid 22   and name HD1%)
      3.400     1.500     1.500 peak  1545 spectrum    1 weight  0.10000E+01 volume  0.17965E-02 ppm1      4.934 ppm2      0.546 CV     1
 ASSI { 1547}
   (  segid " 1SG" and resid 18   and name HG2%)
   (( segid " 1SG" and resid 81   and name HD2 ))
      3.300     1.400     1.400 peak  1547 spectrum    1 weight  0.10000E+01 volume  0.17933E-02 ppm1      0.966 ppm2      3.590 CV     1
 ASSI { 1554}
   (  segid " 1SG" and resid 71   and name HD2%)
   (  segid " 1SG" and resid 74   and name HD2%)
      3.100     3.100     2.900 peak  1554 spectrum    1 weight  0.10000E+01 volume  0.17834E-02 ppm1      0.716 ppm2      0.408 CV     1
 OR { 1554}
   (  segid " 1SG" and resid 71   and name HD2%)
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI { 1572}
   (  segid " 1SG" and resid 79   and name HB% )
   (( segid " 1SG" and resid 18   and name HA  ))
      2.800     1.000     1.000 peak  1572 spectrum    1 weight  0.10000E+01 volume  0.17620E-02 ppm1      1.195 ppm2      3.508 CV     1
 ASSI { 1580}
   (( segid " 1SG" and resid 61   and name HB2 ))
   (( segid " 1SG" and resid 63   and name HB2 ))
      2.800     2.800     3.200 peak  1580 spectrum    1 weight  0.10000E+01 volume  0.17463E-02 ppm1      2.281 ppm2      2.543 CV     1
 ASSI { 1587}
   (  segid " 1SG" and resid 39   and name HG1%)
   (( segid " 1SG" and resid 39   and name HA  ))
      2.700     0.900     0.900 peak  1587 spectrum    1 weight  0.10000E+01 volume  0.17427E-02 ppm1     -0.057 ppm2      4.810 CV     1
 ASSI { 1598}
   (( segid " 1SG" and resid 53   and name HA  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      3.500     1.600     1.600 peak  1598 spectrum    1 weight  0.10000E+01 volume  0.17282E-02 ppm1      4.052 ppm2      1.467 CV     1
 ASSI { 1605}
   (( segid " 1SG" and resid 88   and name HB2 ))
   (( segid " 1SG" and resid 40   and name HD2 ))
      2.900     2.900     3.100 peak  1605 spectrum    1 weight  0.10000E+01 volume  0.17224E-02 ppm1      1.705 ppm2      1.711 CV     1
 OR { 1605}
   (( segid " 1SG" and resid 88   and name HB2 ))
   (( segid " 1SG" and resid 40   and name HD1 ))
 ASSI { 1616}
   (( segid " 1SG" and resid 108  and name HG1 ))
   (( segid " 1SG" and resid 108  and name HA  ))
      2.800     1.000     1.000 peak  1616 spectrum    1 weight  0.10000E+01 volume  0.17052E-02 ppm1      2.201 ppm2      4.149 CV     1
 OR { 1616}
   (( segid " 1SG" and resid 108  and name HG2 ))
   (( segid " 1SG" and resid 108  and name HA  ))
 ASSI { 1617}
   (( segid " 1SG" and resid 74   and name HB2 ))
   (  segid " 1SG" and resid 57   and name HD1%)
      3.600     1.600     1.600 peak  1617 spectrum    1 weight  0.10000E+01 volume  0.17048E-02 ppm1     -0.817 ppm2      0.626 CV     1
 OR { 1617}
   (( segid " 1SG" and resid 74   and name HB2 ))
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI { 1622}
   (( segid " 1SG" and resid 45   and name HG2 ))
   (( segid " 1SG" and resid 45   and name HA  ))
      2.700     0.900     0.900 peak  1622 spectrum    1 weight  0.10000E+01 volume  0.17018E-02 ppm1      0.599 ppm2      3.499 CV     1
 ASSI { 1624}
   (( segid " 1SG" and resid 68   and name HA  ))
   (( segid " 1SG" and resid 68   and name HB2 ))
      2.700     0.900     0.900 peak  1624 spectrum    1 weight  0.10000E+01 volume  0.16999E-02 ppm1      3.604 ppm2      1.772 CV     1
 ASSI { 1631}
   (( segid " 1SG" and resid 16   and name HB  ))
   (  segid " 1SG" and resid 22   and name HD1%)
      3.400     1.400     1.400 peak  1631 spectrum    1 weight  0.10000E+01 volume  0.16860E-02 ppm1      1.820 ppm2      0.552 CV     1
 ASSI { 1634}
   (  segid " 1SG" and resid 59   and name HD1%)
   (( segid " 1SG" and resid 43   and name HB2 ))
      3.500     3.500     2.500 peak  1634 spectrum    1 weight  0.10000E+01 volume  0.16777E-02 ppm1      0.832 ppm2      1.231 CV     1
 ASSI { 1635}
   (( segid " 1SG" and resid 38   and name HB  ))
   (( segid " 1SG" and resid 38   and name HA  ))
      2.800     1.000     1.000 peak  1635 spectrum    1 weight  0.10000E+01 volume  0.16740E-02 ppm1      1.900 ppm2      3.912 CV     1
 ASSI { 1636}
   (( segid " 1SG" and resid 8    and name HB  ))
   (( segid " 1SG" and resid 27   and name HB1 ))
      2.600     2.600     3.400 peak  1636 spectrum    1 weight  0.10000E+01 volume  0.16738E-02 ppm1      1.813 ppm2      1.600 CV     1
 OR { 1636}
   (( segid " 1SG" and resid 8    and name HB  ))
   (( segid " 1SG" and resid 27   and name HB2 ))
 ASSI { 1638}
   (( segid " 1SG" and resid 108  and name HA  ))
   (  segid " 1SG" and resid 18   and name HG1%)
      3.200     1.300     1.300 peak  1638 spectrum    1 weight  0.10000E+01 volume  0.16684E-02 ppm1      4.155 ppm2      1.005 CV     1
 ASSI { 1643}
   (( segid " 1SG" and resid 45   and name HB2 ))
   (( segid " 1SG" and resid 45   and name HA  ))
      2.900     1.100     1.100 peak  1643 spectrum    1 weight  0.10000E+01 volume  0.16640E-02 ppm1      0.604 ppm2      3.498 CV     1
 ASSI { 1653}
   (( segid " 1SG" and resid 4    and name HB  ))
   (( segid " 1SG" and resid 96   and name HB2 ))
      2.900     1.000     1.000 peak  1653 spectrum    1 weight  0.10000E+01 volume  0.16477E-02 ppm1      2.052 ppm2      1.589 CV     1
 ASSI { 1657}
   (( segid " 1SG" and resid 52   and name HD1 ))
   (( segid " 1SG" and resid 48   and name HB2 ))
      2.300     2.300     3.700 peak  1657 spectrum    1 weight  0.10000E+01 volume  0.16392E-02 ppm1      1.575 ppm2      2.922 CV     1
 OR { 1657}
   (( segid " 1SG" and resid 52   and name HD2 ))
   (( segid " 1SG" and resid 48   and name HB2 ))
 ASSI { 1660}
   (( segid " 1SG" and resid 76   and name HG12))
   (  segid " 1SG" and resid 57   and name HD1%)
      2.500     0.800     0.800 peak  1660 spectrum    1 weight  0.10000E+01 volume  0.16373E-02 ppm1      1.094 ppm2      0.621 CV     1
 OR { 1660}
   (( segid " 1SG" and resid 76   and name HG12))
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI { 1671}
   (( segid " 1SG" and resid 60   and name HB2 ))
   (( segid " 1SG" and resid 60   and name HA  ))
      3.000     1.100     1.100 peak  1671 spectrum    1 weight  0.10000E+01 volume  0.16239E-02 ppm1      2.975 ppm2      5.071 CV     1
 ASSI { 1672}
   (( segid " 1SG" and resid 43   and name HD2 ))
   (  segid " 1SG" and resid 49   and name HD1%)
      3.100     1.200     1.200 peak  1672 spectrum    1 weight  0.10000E+01 volume  0.16230E-02 ppm1      1.322 ppm2      1.761 CV     1
 OR { 1672}
   (( segid " 1SG" and resid 43   and name HD1 ))
   (  segid " 1SG" and resid 49   and name HD1%)
 ASSI { 1674}
   (( segid " 1SG" and resid 52   and name HB2 ))
   (( segid " 1SG" and resid 52   and name HG2 ))
      2.700     0.900     0.900 peak  1674 spectrum    1 weight  0.10000E+01 volume  0.16212E-02 ppm1      1.737 ppm2      1.330 CV     1
 OR { 1674}
   (( segid " 1SG" and resid 52   and name HB2 ))
   (( segid " 1SG" and resid 52   and name HG1 ))
 ASSI { 1676}
   (( segid " 1SG" and resid 36   and name HA  ))
   (( segid " 1SG" and resid 37   and name HD2 ))
      2.700     0.900     0.900 peak  1676 spectrum    1 weight  0.10000E+01 volume  0.16188E-02 ppm1      4.005 ppm2      2.360 CV     1
 ASSI { 1689}
   (( segid " 1SG" and resid 16   and name HA  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      3.200     1.300     1.300 peak  1689 spectrum    1 weight  0.10000E+01 volume  0.16036E-02 ppm1      4.604 ppm2      0.629 CV     1
 ASSI { 1694}
   (( segid " 1SG" and resid 57   and name HB2 ))
   (  segid " 1SG" and resid 57   and name HD1%)
      3.100     1.200     1.200 peak  1694 spectrum    1 weight  0.10000E+01 volume  0.15948E-02 ppm1      1.477 ppm2      0.615 CV     1
 OR { 1694}
   (( segid " 1SG" and resid 57   and name HB2 ))
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI { 1700}
   (( segid " 1SG" and resid 35   and name HG1 ))
   (( segid " 1SG" and resid 35   and name HA  ))
      3.200     1.300     1.300 peak  1700 spectrum    1 weight  0.10000E+01 volume  0.15894E-02 ppm1      1.361 ppm2      4.667 CV     1
 OR { 1700}
   (( segid " 1SG" and resid 35   and name HG2 ))
   (( segid " 1SG" and resid 35   and name HA  ))
 ASSI { 1703}
   (( segid " 1SG" and resid 25   and name HB2 ))
   (( segid " 1SG" and resid 25   and name HA  ))
      3.000     1.200     1.200 peak  1703 spectrum    1 weight  0.10000E+01 volume  0.15888E-02 ppm1      3.602 ppm2      5.692 CV     1
 ASSI { 1707}
   (( segid " 1SG" and resid 105  and name HA  ))
   (( segid " 1SG" and resid 84   and name HA  ))
      2.900     1.000     1.000 peak  1707 spectrum    1 weight  0.10000E+01 volume  0.15859E-02 ppm1      4.518 ppm2      4.230 CV     1
 OR { 1707}
   (( segid " 1SG" and resid 105  and name HA  ))
   (( segid " 1SG" and resid 84   and name HB  ))
 ASSI { 1720}
   (( segid " 1SG" and resid 36   and name HA  ))
   (( segid " 1SG" and resid 36   and name HB2 ))
      3.100     1.200     1.200 peak  1720 spectrum    1 weight  0.10000E+01 volume  0.15738E-02 ppm1      4.007 ppm2      1.642 CV     1
 ASSI { 1726}
   (( segid " 1SG" and resid 88   and name HA  ))
   (( segid " 1SG" and resid 100  and name HB2 ))
      3.300     3.300     2.700 peak  1726 spectrum    1 weight  0.10000E+01 volume  0.15662E-02 ppm1      5.349 ppm2      2.953 CV     1
 ASSI { 1727}
   (  segid " 1SG" and resid 104  and name HD1%)
   (  segid " 1SG" and resid 24   and name HE% )
      2.400     2.400     3.600 peak  1727 spectrum    1 weight  0.10000E+01 volume  0.15644E-02 ppm1      0.987 ppm2      7.171 CV     1
 ASSI { 1730}
   (  segid " 1SG" and resid 49   and name HD2%)
   (( segid " 1SG" and resid 59   and name HB1 ))
      2.700     0.900     0.900 peak  1730 spectrum    1 weight  0.10000E+01 volume  0.15637E-02 ppm1      1.042 ppm2      1.718 CV     1
 OR { 1730}
   (  segid " 1SG" and resid 49   and name HD2%)
   (( segid " 1SG" and resid 59   and name HB2 ))
 ASSI { 1748}
   (( segid " 1SG" and resid 23   and name HB  ))
   (( segid " 1SG" and resid 23   and name HA  ))
      2.900     1.000     1.000 peak  1748 spectrum    1 weight  0.10000E+01 volume  0.15400E-02 ppm1      3.583 ppm2      5.116 CV     1
 ASSI { 1752}
   (  segid " 1SG" and resid 74   and name HD1%)
   (  segid " 1SG" and resid 59   and name HD1%)
      3.000     1.100     1.100 peak  1752 spectrum    1 weight  0.10000E+01 volume  0.15315E-02 ppm1      0.412 ppm2      0.852 CV     1
 OR { 1752}
   (  segid " 1SG" and resid 74   and name HD2%)
   (  segid " 1SG" and resid 59   and name HD1%)
 ASSI { 1760}
   (( segid " 1SG" and resid 49   and name HB2 ))
   (( segid " 1SG" and resid 52   and name HB2 ))
      3.400     3.400     2.600 peak  1760 spectrum    1 weight  0.10000E+01 volume  0.15202E-02 ppm1      1.571 ppm2      1.728 CV     1
 ASSI { 1764}
   (  segid " 1SG" and resid 76   and name HG2%)
   (( segid " 1SG" and resid 79   and name HA  ))
      2.800     1.000     1.000 peak  1764 spectrum    1 weight  0.10000E+01 volume  0.15152E-02 ppm1      0.825 ppm2      3.685 CV     1
 ASSI { 1771}
   (( segid " 1SG" and resid 36   and name HD2 ))
   (( segid " 1SG" and resid 36   and name HG2 ))
      2.600     0.900     0.900 peak  1771 spectrum    1 weight  0.10000E+01 volume  0.15103E-02 ppm1      3.510 ppm2      1.963 CV     1
 ASSI { 1789}
   (( segid " 1SG" and resid 9    and name HB2 ))
   (( segid " 1SG" and resid 9    and name HA  ))
      2.800     1.000     1.000 peak  1789 spectrum    1 weight  0.10000E+01 volume  0.14996E-02 ppm1      1.915 ppm2      4.655 CV     1
 ASSI { 1791}
   (( segid " 1SG" and resid 8    and name HB  ))
   (( segid " 1SG" and resid 8    and name HA  ))
      2.900     1.100     1.100 peak  1791 spectrum    1 weight  0.10000E+01 volume  0.14974E-02 ppm1      1.840 ppm2      4.168 CV     1
 ASSI { 1800}
   (  segid " 1SG" and resid 18   and name HG2%)
   (( segid " 1SG" and resid 80   and name HE21))
      3.400     3.400     2.600 peak  1800 spectrum    1 weight  0.10000E+01 volume  0.14883E-02 ppm1      0.979 ppm2      6.971 CV     1
 ASSI { 1802}
   (( segid " 1SG" and resid 72   and name HB2 ))
   (( segid " 1SG" and resid 72   and name HA  ))
      2.900     1.000     1.000 peak  1802 spectrum    1 weight  0.10000E+01 volume  0.14848E-02 ppm1      2.934 ppm2      5.351 CV     1
 ASSI { 1807}
   (( segid " 1SG" and resid 92   and name HB1 ))
   (  segid " 1SG" and resid 93   and name HG2%)
      3.300     3.300     2.700 peak  1807 spectrum    1 weight  0.10000E+01 volume  0.14800E-02 ppm1      3.877 ppm2      1.043 CV     1
 OR { 1807}
   (( segid " 1SG" and resid 92   and name HB2 ))
   (  segid " 1SG" and resid 93   and name HG2%)
 ASSI { 1808}
   (( segid " 1SG" and resid 6    and name HG  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      2.700     0.900     0.900 peak  1808 spectrum    1 weight  0.10000E+01 volume  0.14785E-02 ppm1      1.340 ppm2      0.494 CV     1
 ASSI { 1809}
   (( segid " 1SG" and resid 24   and name HA  ))
   (( segid " 1SG" and resid 24   and name HB2 ))
      3.100     1.200     1.200 peak  1809 spectrum    1 weight  0.10000E+01 volume  0.14785E-02 ppm1      4.619 ppm2      2.415 CV     1
 ASSI { 1812}
   (( segid " 1SG" and resid 103  and name HB2 ))
   (( segid " 1SG" and resid 103  and name HA  ))
      3.100     1.200     1.200 peak  1812 spectrum    1 weight  0.10000E+01 volume  0.14743E-02 ppm1      2.506 ppm2      5.551 CV     1
 ASSI { 1815}
   (( segid " 1SG" and resid 105  and name HA  ))
   (( segid " 1SG" and resid 105  and name HB  ))
      2.900     1.000     1.000 peak  1815 spectrum    1 weight  0.10000E+01 volume  0.14726E-02 ppm1      4.515 ppm2      3.913 CV     1
 ASSI { 1823}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 104  and name HB2 ))
      3.100     1.200     1.200 peak  1823 spectrum    1 weight  0.10000E+01 volume  0.14666E-02 ppm1      0.619 ppm2      1.254 CV     1
 ASSI { 1826}
   (  segid " 1SG" and resid 91   and name HG2%)
   (  segid " 1SG" and resid 93   and name HG2%)
      3.400     1.500     1.500 peak  1826 spectrum    1 weight  0.10000E+01 volume  0.14625E-02 ppm1      0.186 ppm2      1.045 CV     1
 OR { 1826}
   (  segid " 1SG" and resid 91   and name HG1%)
   (  segid " 1SG" and resid 93   and name HG2%)
 ASSI { 1831}
   (  segid " 1SG" and resid 49   and name HD2%)
   (( segid " 1SG" and resid 49   and name HB2 ))
      3.100     1.200     1.200 peak  1831 spectrum    1 weight  0.10000E+01 volume  0.14574E-02 ppm1      1.030 ppm2      1.580 CV     1
 ASSI { 1841}
   (( segid " 1SG" and resid 52   and name HB2 ))
   (( segid " 1SG" and resid 52   and name HA  ))
      3.000     1.100     1.100 peak  1841 spectrum    1 weight  0.10000E+01 volume  0.14462E-02 ppm1      1.738 ppm2      4.629 CV     1
 ASSI { 1843}
   (( segid " 1SG" and resid 58   and name HA  ))
   (( segid " 1SG" and resid 58   and name HG2 ))
      3.300     1.400     1.400 peak  1843 spectrum    1 weight  0.10000E+01 volume  0.14453E-02 ppm1      4.621 ppm2      1.817 CV     1
 ASSI { 1852}
   (( segid " 1SG" and resid 69   and name HA  ))
   (( segid " 1SG" and resid 29   and name HA  ))
      2.900     1.000     1.000 peak  1852 spectrum    1 weight  0.10000E+01 volume  0.14304E-02 ppm1      4.592 ppm2      4.392 CV     1
 ASSI { 1853}
   (( segid " 1SG" and resid 57   and name HG  ))
   (( segid " 1SG" and resid 49   and name HB2 ))
      3.400     1.500     1.500 peak  1853 spectrum    1 weight  0.10000E+01 volume  0.14298E-02 ppm1      0.753 ppm2      1.558 CV     1
 ASSI { 1858}
   (( segid " 1SG" and resid 96   and name HB2 ))
   (( segid " 1SG" and resid 4    and name HG12))
      2.800     1.000     1.000 peak  1858 spectrum    1 weight  0.10000E+01 volume  0.14238E-02 ppm1      1.612 ppm2      1.245 CV     1
 ASSI { 1870}
   (( segid " 1SG" and resid 15   and name HA  ))
   (( segid " 1SG" and resid 15   and name HG2 ))
      2.900     1.100     1.100 peak  1870 spectrum    1 weight  0.10000E+01 volume  0.14105E-02 ppm1      5.504 ppm2      2.280 CV     1
 OR { 1870}
   (( segid " 1SG" and resid 15   and name HA  ))
   (( segid " 1SG" and resid 15   and name HG1 ))
 ASSI { 1875}
   (( segid " 1SG" and resid 22   and name HB  ))
   (( segid " 1SG" and resid 104  and name HB2 ))
      3.100     1.200     1.200 peak  1875 spectrum    1 weight  0.10000E+01 volume  0.14080E-02 ppm1      1.541 ppm2      1.250 CV     1
 ASSI { 1880}
   (( segid " 1SG" and resid 56   and name HA  ))
   (( segid " 1SG" and resid 56   and name HB2 ))
      2.900     1.100     1.100 peak  1880 spectrum    1 weight  0.10000E+01 volume  0.14042E-02 ppm1      4.971 ppm2      3.108 CV     1
 ASSI { 1884}
   (( segid " 1SG" and resid 52   and name HG1 ))
   (( segid " 1SG" and resid 53   and name HB  ))
      3.500     3.500     2.500 peak  1884 spectrum    1 weight  0.10000E+01 volume  0.14026E-02 ppm1      1.340 ppm2      2.157 CV     1
 OR { 1884}
   (( segid " 1SG" and resid 52   and name HG2 ))
   (( segid " 1SG" and resid 53   and name HB  ))
 ASSI { 1887}
   (( segid " 1SG" and resid 4    and name HB  ))
   (( segid " 1SG" and resid 4    and name HA  ))
      2.800     1.000     1.000 peak  1887 spectrum    1 weight  0.10000E+01 volume  0.14019E-02 ppm1      2.054 ppm2      4.033 CV     1
 ASSI { 1888}
   (( segid " 1SG" and resid 37   and name HB2 ))
   (( segid " 1SG" and resid 37   and name HA  ))
      3.000     1.100     1.100 peak  1888 spectrum    1 weight  0.10000E+01 volume  0.14012E-02 ppm1      1.383 ppm2      4.501 CV     1
 ASSI { 1889}
   (( segid " 1SG" and resid 91   and name HA  ))
   (( segid " 1SG" and resid 91   and name HB  ))
      2.700     0.900     0.900 peak  1889 spectrum    1 weight  0.10000E+01 volume  0.14009E-02 ppm1      4.743 ppm2      1.134 CV     1
 ASSI { 1895}
   (( segid " 1SG" and resid 6    and name HG  ))
   (  segid " 1SG" and resid 6    and name HD1%)
      2.800     1.000     1.000 peak  1895 spectrum    1 weight  0.10000E+01 volume  0.13964E-02 ppm1      1.341 ppm2      0.677 CV     1
 ASSI { 1898}
   (( segid " 1SG" and resid 49   and name HA  ))
   (( segid " 1SG" and resid 52   and name HB2 ))
      2.600     0.800     0.800 peak  1898 spectrum    1 weight  0.10000E+01 volume  0.13958E-02 ppm1      3.862 ppm2      1.730 CV     1
 ASSI { 1902}
   (( segid " 1SG" and resid 27   and name HA  ))
   (( segid " 1SG" and resid 71   and name HA  ))
      2.600     0.800     0.800 peak  1902 spectrum    1 weight  0.10000E+01 volume  0.13910E-02 ppm1      5.835 ppm2      5.076 CV     1
 ASSI { 1907}
   (( segid " 1SG" and resid 4    and name HB  ))
   (( segid " 1SG" and resid 4    and name HG12))
      2.600     0.900     0.900 peak  1907 spectrum    1 weight  0.10000E+01 volume  0.13810E-02 ppm1      2.046 ppm2      1.247 CV     1
 ASSI { 1908}
   (( segid " 1SG" and resid 45   and name HG2 ))
   (( segid " 1SG" and resid 45   and name HD1 ))
      2.900     1.100     1.100 peak  1908 spectrum    1 weight  0.10000E+01 volume  0.13807E-02 ppm1      0.596 ppm2      1.238 CV     1
 OR { 1908}
   (( segid " 1SG" and resid 45   and name HG2 ))
   (( segid " 1SG" and resid 45   and name HD2 ))
 ASSI { 1924}
   (( segid " 1SG" and resid 43   and name HB2 ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      3.400     3.400     2.600 peak  1924 spectrum    1 weight  0.10000E+01 volume  0.13593E-02 ppm1      1.237 ppm2      1.469 CV     1
 ASSI { 1936}
   (  segid " 1SG" and resid 39   and name HG2%)
   (  segid " 1SG" and resid 28   and name HG2%)
      2.900     1.100     1.100 peak  1936 spectrum    1 weight  0.10000E+01 volume  0.13534E-02 ppm1     -0.444 ppm2      0.644 CV     1
 ASSI { 1941}
   (  segid " 1SG" and resid 26   and name HB% )
   (  segid " 1SG" and resid 28   and name HG2%)
      3.000     1.100     1.100 peak  1941 spectrum    1 weight  0.10000E+01 volume  0.13470E-02 ppm1      1.468 ppm2      0.658 CV     1
 ASSI { 1950}
   (( segid " 1SG" and resid 24   and name HA  ))
   (( segid " 1SG" and resid 12   and name HG2 ))
      2.400     2.400     3.600 peak  1950 spectrum    1 weight  0.10000E+01 volume  0.13411E-02 ppm1      4.620 ppm2      2.453 CV     1
 OR { 1950}
   (( segid " 1SG" and resid 24   and name HA  ))
   (( segid " 1SG" and resid 12   and name HG1 ))
 ASSI { 1953}
   (  segid " 1SG" and resid 8    and name HG1%)
   (( segid " 1SG" and resid 27   and name HD2 ))
      3.100     1.200     1.200 peak  1953 spectrum    1 weight  0.10000E+01 volume  0.13394E-02 ppm1      0.980 ppm2      3.114 CV     1
 OR { 1953}
   (  segid " 1SG" and resid 8    and name HG1%)
   (( segid " 1SG" and resid 27   and name HD1 ))
 OR { 1953}
   (  segid " 1SG" and resid 8    and name HG2%)
   (( segid " 1SG" and resid 27   and name HD2 ))
 OR { 1953}
   (  segid " 1SG" and resid 8    and name HG2%)
   (( segid " 1SG" and resid 27   and name HD1 ))
 ASSI { 1956}
   (( segid " 1SG" and resid 83   and name HA  ))
   (( segid " 1SG" and resid 83   and name HB2 ))
      2.900     1.100     1.100 peak  1956 spectrum    1 weight  0.10000E+01 volume  0.13379E-02 ppm1      4.609 ppm2      3.190 CV     1
 ASSI { 1958}
   (( segid " 1SG" and resid 40   and name HA  ))
   (( segid " 1SG" and resid 40   and name HG2 ))
      3.400     1.400     1.400 peak  1958 spectrum    1 weight  0.10000E+01 volume  0.13340E-02 ppm1      4.545 ppm2      1.245 CV     1
 OR { 1958}
   (( segid " 1SG" and resid 40   and name HA  ))
   (( segid " 1SG" and resid 40   and name HG1 ))
 ASSI { 1963}
   (  segid " 1SG" and resid 77   and name HG2%)
   (( segid " 1SG" and resid 76   and name HA  ))
      3.300     1.300     1.300 peak  1963 spectrum    1 weight  0.10000E+01 volume  0.13317E-02 ppm1      1.045 ppm2      4.982 CV     1
 ASSI { 1965}
   (( segid " 1SG" and resid 83   and name HA  ))
   (( segid " 1SG" and resid 44   and name HA2 ))
      3.200     3.200     2.800 peak  1965 spectrum    1 weight  0.10000E+01 volume  0.13303E-02 ppm1      4.568 ppm2      3.808 CV     1
 ASSI { 1969}
   (( segid " 1SG" and resid 12   and name HB2 ))
   (  segid " 1SG" and resid 22   and name HD1%)
      2.900     2.900     3.100 peak  1969 spectrum    1 weight  0.10000E+01 volume  0.13259E-02 ppm1      1.944 ppm2      0.544 CV     1
 ASSI { 1970}
   (  segid " 1SG" and resid 91   and name HG2%)
   (( segid " 1SG" and resid 38   and name HA  ))
      3.300     1.300     1.300 peak  1970 spectrum    1 weight  0.10000E+01 volume  0.13242E-02 ppm1      0.115 ppm2      3.907 CV     1
 ASSI { 1977}
   (  segid " 1SG" and resid 38   and name HG1%)
   (( segid " 1SG" and resid 35   and name HD1 ))
      3.000     1.100     1.100 peak  1977 spectrum    1 weight  0.10000E+01 volume  0.13195E-02 ppm1      0.817 ppm2      1.643 CV     1
 OR { 1977}
   (  segid " 1SG" and resid 38   and name HG1%)
   (( segid " 1SG" and resid 35   and name HD2 ))
 OR { 1977}
   (  segid " 1SG" and resid 38   and name HG2%)
   (( segid " 1SG" and resid 35   and name HD1 ))
 OR { 1977}
   (  segid " 1SG" and resid 38   and name HG2%)
   (( segid " 1SG" and resid 35   and name HD2 ))
 ASSI { 1987}
   (( segid " 1SG" and resid 36   and name HD2 ))
   (( segid " 1SG" and resid 35   and name HB2 ))
      2.800     1.000     1.000 peak  1987 spectrum    1 weight  0.10000E+01 volume  0.13075E-02 ppm1      3.509 ppm2      1.780 CV     1
 OR { 1987}
   (( segid " 1SG" and resid 36   and name HD2 ))
   (( segid " 1SG" and resid 35   and name HB1 ))
 ASSI { 1991}
   (  segid " 1SG" and resid 18   and name HG1%)
   (( segid " 1SG" and resid 81   and name HD2 ))
      3.900     1.900     1.900 peak  1991 spectrum    1 weight  0.10000E+01 volume  0.13034E-02 ppm1      1.013 ppm2      3.582 CV     1
 ASSI { 1993}
   (( segid " 1SG" and resid 71   and name HA  ))
   (( segid " 1SG" and resid 71   and name HB2 ))
      2.600     0.900     0.900 peak  1993 spectrum    1 weight  0.10000E+01 volume  0.13016E-02 ppm1      5.070 ppm2      1.269 CV     1
 ASSI { 1994}
   (( segid " 1SG" and resid 103  and name HA  ))
   (( segid " 1SG" and resid 86   and name HA2 ))
      2.700     0.900     0.900 peak  1994 spectrum    1 weight  0.10000E+01 volume  0.13012E-02 ppm1      5.554 ppm2      4.675 CV     1
 ASSI { 1996}
   (( segid " 1SG" and resid 81   and name HD2 ))
   (( segid " 1SG" and resid 80   and name HG1 ))
      2.800     1.000     1.000 peak  1996 spectrum    1 weight  0.10000E+01 volume  0.13000E-02 ppm1      3.576 ppm2      2.181 CV     1
 OR { 1996}
   (( segid " 1SG" and resid 81   and name HD2 ))
   (( segid " 1SG" and resid 80   and name HG2 ))
 ASSI { 2006}
   (( segid " 1SG" and resid 22   and name HA  ))
   (  segid " 1SG" and resid 22   and name HD1%)
      2.800     1.000     1.000 peak  2006 spectrum    1 weight  0.10000E+01 volume  0.12896E-02 ppm1      4.352 ppm2      0.547 CV     1
 ASSI { 2016}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 22   and name HA  ))
      3.200     1.300     1.300 peak  2016 spectrum    1 weight  0.10000E+01 volume  0.12836E-02 ppm1      0.604 ppm2      4.356 CV     1
 ASSI { 2017}
   (( segid " 1SG" and resid 90   and name HA  ))
   (( segid " 1SG" and resid 99   and name HA  ))
      2.800     1.000     1.000 peak  2017 spectrum    1 weight  0.10000E+01 volume  0.12833E-02 ppm1      4.768 ppm2      5.709 CV     1
 ASSI { 2018}
   (( segid " 1SG" and resid 68   and name HE1 ))
   (( segid " 1SG" and resid 37   and name HG2 ))
      2.400     2.400     3.600 peak  2018 spectrum    1 weight  0.10000E+01 volume  0.12821E-02 ppm1      3.019 ppm2      1.361 CV     1
 OR { 2018}
   (( segid " 1SG" and resid 68   and name HE2 ))
   (( segid " 1SG" and resid 37   and name HG2 ))
 OR { 2018}
   (( segid " 1SG" and resid 68   and name HE1 ))
   (( segid " 1SG" and resid 37   and name HB2 ))
 OR { 2018}
   (( segid " 1SG" and resid 68   and name HE2 ))
   (( segid " 1SG" and resid 37   and name HB2 ))
 ASSI { 2024}
   (  segid " 1SG" and resid 49   and name HD2%)
   (  segid " 1SG" and resid 87   and name HD% )
      2.900     1.100     1.100 peak  2024 spectrum    1 weight  0.10000E+01 volume  0.12760E-02 ppm1      1.029 ppm2      6.809 CV     1
 ASSI { 2025}
   (( segid " 1SG" and resid 4    and name HA  ))
   (( segid " 1SG" and resid 4    and name HG12))
      3.600     1.600     1.600 peak  2025 spectrum    1 weight  0.10000E+01 volume  0.12754E-02 ppm1      4.024 ppm2      1.245 CV     1
 ASSI { 2029}
   (( segid " 1SG" and resid 56   and name HA  ))
   (  segid " 1SG" and resid 77   and name HG2%)
      3.200     1.300     1.300 peak  2029 spectrum    1 weight  0.10000E+01 volume  0.12744E-02 ppm1      4.981 ppm2      1.049 CV     1
 ASSI { 2045}
   (( segid " 1SG" and resid 108  and name HG1 ))
   (  segid " 1SG" and resid 18   and name HG2%)
      3.100     1.200     1.200 peak  2045 spectrum    1 weight  0.10000E+01 volume  0.12617E-02 ppm1      2.191 ppm2      0.964 CV     1
 OR { 2045}
   (( segid " 1SG" and resid 108  and name HG2 ))
   (  segid " 1SG" and resid 18   and name HG2%)
 OR { 2045}
   (( segid " 1SG" and resid 108  and name HG1 ))
   (  segid " 1SG" and resid 18   and name HG1%)
 ASSI { 2047}
   (( segid " 1SG" and resid 40   and name HB2 ))
   (( segid " 1SG" and resid 40   and name HD1 ))
      2.800     1.000     1.000 peak  2047 spectrum    1 weight  0.10000E+01 volume  0.12602E-02 ppm1      1.370 ppm2      1.689 CV     1
 OR { 2047}
   (( segid " 1SG" and resid 40   and name HB2 ))
   (( segid " 1SG" and resid 40   and name HD2 ))
 ASSI { 2066}
   (( segid " 1SG" and resid 10   and name HB2 ))
   (  segid " 1SG" and resid 26   and name HB% )
      3.400     3.400     2.600 peak  2066 spectrum    1 weight  0.10000E+01 volume  0.12426E-02 ppm1      1.238 ppm2      1.481 CV     1
 ASSI { 2073}
   (  segid " 1SG" and resid 76   and name HD1%)
   (  segid " 1SG" and resid 24   and name HE% )
      2.800     1.000     1.000 peak  2073 spectrum    1 weight  0.10000E+01 volume  0.12364E-02 ppm1      0.676 ppm2      7.166 CV     1
 ASSI { 2078}
   (  segid " 1SG" and resid 69   and name HG1%)
   (( segid " 1SG" and resid 27   and name HA  ))
      3.200     1.300     1.300 peak  2078 spectrum    1 weight  0.10000E+01 volume  0.12327E-02 ppm1      0.856 ppm2      5.839 CV     1
 ASSI { 2079}
   (  segid " 1SG" and resid 77   and name HG2%)
   (( segid " 1SG" and resid 21   and name HB2 ))
      3.100     1.200     1.200 peak  2079 spectrum    1 weight  0.10000E+01 volume  0.12318E-02 ppm1      1.049 ppm2      3.757 CV     1
 ASSI { 2082}
   (( segid " 1SG" and resid 21   and name HA  ))
   (( segid " 1SG" and resid 20   and name HN  ))
      3.100     3.100     2.900 peak  2082 spectrum    1 weight  0.10000E+01 volume  0.12305E-02 ppm1      5.517 ppm2      8.843 CV     1
 ASSI { 2087}
   (( segid " 1SG" and resid 58   and name HG2 ))
   (( segid " 1SG" and resid 75   and name HB2 ))
      3.200     1.200     1.200 peak  2087 spectrum    1 weight  0.10000E+01 volume  0.12250E-02 ppm1      1.816 ppm2      2.887 CV     1
 OR { 2087}
   (( segid " 1SG" and resid 58   and name HG2 ))
   (( segid " 1SG" and resid 75   and name HB1 ))
 ASSI { 2110}
   (( segid " 1SG" and resid 37   and name HD2 ))
   (( segid " 1SG" and resid 37   and name HG2 ))
      2.700     0.900     0.900 peak  2110 spectrum    1 weight  0.10000E+01 volume  0.12110E-02 ppm1      2.368 ppm2      1.373 CV     1
 OR { 2110}
   (( segid " 1SG" and resid 37   and name HD2 ))
   (( segid " 1SG" and resid 37   and name HB2 ))
 ASSI { 2121}
   (( segid " 1SG" and resid 76   and name HA  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      3.100     1.200     1.200 peak  2121 spectrum    1 weight  0.10000E+01 volume  0.12042E-02 ppm1      5.017 ppm2      1.434 CV     1
 ASSI { 2125}
   (( segid " 1SG" and resid 73   and name HB2 ))
   (  segid " 1SG" and resid 23   and name HG2%)
      3.200     1.300     1.300 peak  2125 spectrum    1 weight  0.10000E+01 volume  0.12011E-02 ppm1      1.540 ppm2      0.786 CV     1
 ASSI { 2158}
   (( segid " 1SG" and resid 22   and name HA  ))
   (( segid " 1SG" and resid 22   and name HG12))
      3.400     1.500     1.500 peak  2158 spectrum    1 weight  0.10000E+01 volume  0.11832E-02 ppm1      4.352 ppm2      0.101 CV     1
 ASSI { 2171}
   (( segid " 1SG" and resid 83   and name HA  ))
   (  segid " 1SG" and resid 83   and name HD% )
      2.800     1.000     1.000 peak  2171 spectrum    1 weight  0.10000E+01 volume  0.11752E-02 ppm1      4.623 ppm2      7.128 CV     1
 ASSI { 2173}
   (( segid " 1SG" and resid 48   and name HA  ))
   (( segid " 1SG" and resid 42   and name HA  ))
      3.000     1.100     1.100 peak  2173 spectrum    1 weight  0.10000E+01 volume  0.11727E-02 ppm1      4.223 ppm2      5.804 CV     1
 ASSI { 2179}
   (( segid " 1SG" and resid 102  and name HB2 ))
   (( segid " 1SG" and resid 100  and name HB2 ))
      3.600     3.600     2.400 peak  2179 spectrum    1 weight  0.10000E+01 volume  0.11702E-02 ppm1      2.746 ppm2      2.972 CV     1
 ASSI { 2183}
   (( segid " 1SG" and resid 77   and name HA  ))
   (( segid " 1SG" and resid 21   and name HB2 ))
      3.200     1.300     1.300 peak  2183 spectrum    1 weight  0.10000E+01 volume  0.11675E-02 ppm1      4.660 ppm2      3.760 CV     1
 ASSI { 2186}
   (( segid " 1SG" and resid 80   and name HG1 ))
   (( segid " 1SG" and resid 106  and name HB  ))
      3.300     3.300     2.700 peak  2186 spectrum    1 weight  0.10000E+01 volume  0.11661E-02 ppm1      2.159 ppm2      1.868 CV     1
 OR { 2186}
   (( segid " 1SG" and resid 80   and name HG2 ))
   (( segid " 1SG" and resid 106  and name HB  ))
 ASSI { 2192}
   (  segid " 1SG" and resid 76   and name HG2%)
   (  segid " 1SG" and resid 83   and name HD% )
      3.000     1.100     1.100 peak  2192 spectrum    1 weight  0.10000E+01 volume  0.11607E-02 ppm1      0.821 ppm2      7.134 CV     1
 ASSI { 2197}
   (( segid " 1SG" and resid 27   and name HD1 ))
   (( segid " 1SG" and resid 9    and name HB2 ))
      2.800     1.000     1.000 peak  2197 spectrum    1 weight  0.10000E+01 volume  0.11581E-02 ppm1      3.125 ppm2      1.911 CV     1
 OR { 2197}
   (( segid " 1SG" and resid 27   and name HD2 ))
   (( segid " 1SG" and resid 9    and name HB2 ))
 ASSI { 2202}
   (  segid " 1SG" and resid 39   and name HG1%)
   (  segid " 1SG" and resid 91   and name HG2%)
      3.400     1.400     1.400 peak  2202 spectrum    1 weight  0.10000E+01 volume  0.11561E-02 ppm1     -0.058 ppm2      0.160 CV     1
 ASSI { 2207}
   (( segid " 1SG" and resid 65   and name HA  ))
   (( segid " 1SG" and resid 68   and name HA  ))
      3.000     1.100     1.100 peak  2207 spectrum    1 weight  0.10000E+01 volume  0.11518E-02 ppm1      3.454 ppm2      3.592 CV     1
 ASSI { 2222}
   (( segid " 1SG" and resid 48   and name HA  ))
   (( segid " 1SG" and resid 48   and name HB2 ))
      3.000     1.200     1.200 peak  2222 spectrum    1 weight  0.10000E+01 volume  0.11407E-02 ppm1      4.212 ppm2      2.933 CV     1
 ASSI { 2227}
   (( segid " 1SG" and resid 104  and name HA  ))
   (( segid " 1SG" and resid 104  and name HG  ))
      3.000     1.100     1.100 peak  2227 spectrum    1 weight  0.10000E+01 volume  0.11370E-02 ppm1      5.435 ppm2      1.354 CV     1
 ASSI { 2232}
   (  segid " 1SG" and resid 22   and name HD1%)
   (( segid " 1SG" and resid 22   and name HA  ))
      2.900     1.100     1.100 peak  2232 spectrum    1 weight  0.10000E+01 volume  0.11335E-02 ppm1      0.551 ppm2      4.359 CV     1
 OR { 2232}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 22   and name HA  ))
 ASSI { 2236}
   (  segid " 1SG" and resid 16   and name HG1%)
   (( segid " 1SG" and resid 22   and name HG12))
      3.300     1.400     1.400 peak  2236 spectrum    1 weight  0.10000E+01 volume  0.11312E-02 ppm1      0.978 ppm2      0.115 CV     1
 ASSI { 2241}
   (( segid " 1SG" and resid 27   and name HD1 ))
   (( segid " 1SG" and resid 9    and name HG2 ))
      3.100     1.200     1.200 peak  2241 spectrum    1 weight  0.10000E+01 volume  0.11297E-02 ppm1      3.123 ppm2      2.513 CV     1
 OR { 2241}
   (( segid " 1SG" and resid 27   and name HD2 ))
   (( segid " 1SG" and resid 9    and name HG2 ))
 ASSI { 2243}
   (( segid " 1SG" and resid 28   and name HB  ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      2.800     1.000     1.000 peak  2243 spectrum    1 weight  0.10000E+01 volume  0.11287E-02 ppm1      1.975 ppm2      2.823 CV     1
 ASSI { 2255}
   (  segid " 1SG" and resid 77   and name HG2%)
   (( segid " 1SG" and resid 75   and name HB1 ))
      2.800     1.000     1.000 peak  2255 spectrum    1 weight  0.10000E+01 volume  0.11238E-02 ppm1      1.046 ppm2      2.909 CV     1
 ASSI { 2258}
   (( segid " 1SG" and resid 6    and name HB2 ))
   (  segid " 1SG" and resid 6    and name HD1%)
      2.800     1.000     1.000 peak  2258 spectrum    1 weight  0.10000E+01 volume  0.11225E-02 ppm1      0.963 ppm2      0.668 CV     1
 ASSI { 2267}
   (( segid " 1SG" and resid 49   and name HA  ))
   (( segid " 1SG" and resid 52   and name HG2 ))
      3.600     1.600     1.600 peak  2267 spectrum    1 weight  0.10000E+01 volume  0.11179E-02 ppm1      3.862 ppm2      1.350 CV     1
 OR { 2267}
   (( segid " 1SG" and resid 49   and name HA  ))
   (( segid " 1SG" and resid 52   and name HG1 ))
 ASSI { 2271}
   (( segid " 1SG" and resid 76   and name HB  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      3.500     1.600     1.600 peak  2271 spectrum    1 weight  0.10000E+01 volume  0.11151E-02 ppm1      1.936 ppm2      1.428 CV     1
 ASSI { 2279}
   (( segid " 1SG" and resid 88   and name HA  ))
   (( segid " 1SG" and resid 99   and name HB2 ))
      3.300     3.300     2.700 peak  2279 spectrum    1 weight  0.10000E+01 volume  0.11087E-02 ppm1      5.350 ppm2      2.743 CV     1
 ASSI { 2289}
   (  segid " 1SG" and resid 28   and name HG2%)
   (( segid " 1SG" and resid 37   and name HB2 ))
      3.200     1.300     1.300 peak  2289 spectrum    1 weight  0.10000E+01 volume  0.11028E-02 ppm1      0.647 ppm2      1.378 CV     1
 OR { 2289}
   (  segid " 1SG" and resid 28   and name HG2%)
   (( segid " 1SG" and resid 37   and name HG2 ))
 ASSI { 2293}
   (( segid " 1SG" and resid 31   and name HA  ))
   (( segid " 1SG" and resid 68   and name HG2 ))
      3.200     1.300     1.300 peak  2293 spectrum    1 weight  0.10000E+01 volume  0.11006E-02 ppm1      4.171 ppm2      1.264 CV     1
 OR { 2293}
   (( segid " 1SG" and resid 31   and name HA  ))
   (( segid " 1SG" and resid 68   and name HG1 ))
 ASSI { 2296}
   (  segid " 1SG" and resid 59   and name HD2%)
   (( segid " 1SG" and resid 41   and name HD1 ))
      3.100     1.200     1.200 peak  2296 spectrum    1 weight  0.10000E+01 volume  0.10981E-02 ppm1      0.713 ppm2      7.136 CV     1
 ASSI { 2297}
   (( segid " 1SG" and resid 33   and name HB2 ))
   (( segid " 1SG" and resid 93   and name HA  ))
      3.600     1.700     1.700 peak  2297 spectrum    1 weight  0.10000E+01 volume  0.10976E-02 ppm1      1.752 ppm2      4.754 CV     1
 ASSI { 2301}
   (( segid " 1SG" and resid 91   and name HB  ))
   (  segid " 1SG" and resid 39   and name HG2%)
      3.000     1.100     1.100 peak  2301 spectrum    1 weight  0.10000E+01 volume  0.10953E-02 ppm1      1.137 ppm2     -0.446 CV     1
 ASSI { 2305}
   (( segid " 1SG" and resid 6    and name HG  ))
   (( segid " 1SG" and resid 96   and name HB2 ))
      3.700     1.700     1.700 peak  2305 spectrum    1 weight  0.10000E+01 volume  0.10928E-02 ppm1      1.340 ppm2      1.586 CV     1
 ASSI { 2310}
   (( segid " 1SG" and resid 70   and name HA  ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      3.200     1.300     1.300 peak  2310 spectrum    1 weight  0.10000E+01 volume  0.10897E-02 ppm1      4.744 ppm2      2.830 CV     1
 ASSI { 2317}
   (( segid " 1SG" and resid 93   and name HB  ))
   (  segid " 1SG" and resid 33   and name HD1%)
      3.400     1.500     1.500 peak  2317 spectrum    1 weight  0.10000E+01 volume  0.10870E-02 ppm1      4.559 ppm2      0.871 CV     1
 OR { 2317}
   (( segid " 1SG" and resid 93   and name HB  ))
   (  segid " 1SG" and resid 33   and name HD2%)
 ASSI { 2331}
   (  segid " 1SG" and resid 106  and name HG1%)
   (( segid " 1SG" and resid 81   and name HA  ))
      2.900     1.100     1.100 peak  2331 spectrum    1 weight  0.10000E+01 volume  0.10810E-02 ppm1      0.693 ppm2      4.008 CV     1
 ASSI { 2335}
   (( segid " 1SG" and resid 39   and name HA  ))
   (( segid " 1SG" and resid 39   and name HB  ))
      3.000     1.100     1.100 peak  2335 spectrum    1 weight  0.10000E+01 volume  0.10768E-02 ppm1      4.804 ppm2      0.587 CV     1
 ASSI { 2340}
   (( segid " 1SG" and resid 98   and name HA  ))
   (( segid " 1SG" and resid 98   and name HB2 ))
      3.200     1.300     1.300 peak  2340 spectrum    1 weight  0.10000E+01 volume  0.10750E-02 ppm1      4.694 ppm2      2.296 CV     1
 ASSI { 2346}
   (( segid " 1SG" and resid 6    and name HB2 ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.000     1.100     1.100 peak  2346 spectrum    1 weight  0.10000E+01 volume  0.10712E-02 ppm1      0.963 ppm2      0.486 CV     1
 ASSI { 2362}
   (( segid " 1SG" and resid 7    and name HA  ))
   (( segid " 1SG" and resid 7    and name HB2 ))
      3.000     1.100     1.100 peak  2362 spectrum    1 weight  0.10000E+01 volume  0.10651E-02 ppm1      4.637 ppm2      2.585 CV     1
 ASSI { 2363}
   (( segid " 1SG" and resid 36   and name HA  ))
   (( segid " 1SG" and resid 36   and name HG2 ))
      3.700     1.700     1.700 peak  2363 spectrum    1 weight  0.10000E+01 volume  0.10644E-02 ppm1      4.009 ppm2      1.986 CV     1
 ASSI { 2364}
   (( segid " 1SG" and resid 81   and name HD2 ))
   (( segid " 1SG" and resid 80   and name HB2 ))
      3.200     1.200     1.200 peak  2364 spectrum    1 weight  0.10000E+01 volume  0.10643E-02 ppm1      3.586 ppm2      1.952 CV     1
 OR { 2364}
   (( segid " 1SG" and resid 81   and name HD2 ))
   (( segid " 1SG" and resid 80   and name HB1 ))
 ASSI { 2366}
   (  segid " 1SG" and resid 59   and name HD1%)
   (( segid " 1SG" and resid 59   and name HA  ))
      3.700     1.700     1.700 peak  2366 spectrum    1 weight  0.10000E+01 volume  0.10632E-02 ppm1      0.860 ppm2      5.189 CV     1
 ASSI { 2373}
   (( segid " 1SG" and resid 98   and name HB2 ))
   (( segid " 1SG" and resid 6    and name HB2 ))
      3.200     1.200     1.200 peak  2373 spectrum    1 weight  0.10000E+01 volume  0.10558E-02 ppm1      2.279 ppm2      0.921 CV     1
 ASSI { 2378}
   (( segid " 1SG" and resid 104  and name HA  ))
   (( segid " 1SG" and resid 104  and name HB2 ))
      2.700     0.900     0.900 peak  2378 spectrum    1 weight  0.10000E+01 volume  0.10536E-02 ppm1      5.436 ppm2      1.226 CV     1
 ASSI { 2379}
   (( segid " 1SG" and resid 13   and name HB2 ))
   (( segid " 1SG" and resid 12   and name HB2 ))
      3.500     3.500     2.500 peak  2379 spectrum    1 weight  0.10000E+01 volume  0.10528E-02 ppm1      2.629 ppm2      1.972 CV     1
 ASSI { 2382}
   (  segid " 1SG" and resid 76   and name HD1%)
   (( segid " 1SG" and resid 76   and name HA  ))
      3.500     1.600     1.600 peak  2382 spectrum    1 weight  0.10000E+01 volume  0.10510E-02 ppm1      0.679 ppm2      5.010 CV     1
 ASSI { 2392}
   (( segid " 1SG" and resid 43   and name HA  ))
   (( segid " 1SG" and resid 43   and name HB2 ))
      2.700     0.900     0.900 peak  2392 spectrum    1 weight  0.10000E+01 volume  0.10461E-02 ppm1      4.138 ppm2      1.232 CV     1
 ASSI { 2397}
   (( segid " 1SG" and resid 6    and name HA  ))
   (  segid " 1SG" and resid 29   and name HB% )
      3.000     1.100     1.100 peak  2397 spectrum    1 weight  0.10000E+01 volume  0.10447E-02 ppm1      4.459 ppm2      1.524 CV     1
 ASSI { 2402}
   (( segid " 1SG" and resid 101  and name HA  ))
   (( segid " 1SG" and resid 101  and name HB2 ))
      3.100     1.200     1.200 peak  2402 spectrum    1 weight  0.10000E+01 volume  0.10401E-02 ppm1      5.518 ppm2      2.697 CV     1
 ASSI { 2404}
   (  segid " 1SG" and resid 106  and name HG1%)
   (( segid " 1SG" and resid 83   and name HB2 ))
      3.200     1.200     1.200 peak  2404 spectrum    1 weight  0.10000E+01 volume  0.10395E-02 ppm1      0.689 ppm2      3.185 CV     1
 ASSI { 2405}
   (  segid " 1SG" and resid 26   and name HB% )
   (( segid " 1SG" and resid 72   and name HB2 ))
      3.000     1.100     1.100 peak  2405 spectrum    1 weight  0.10000E+01 volume  0.10390E-02 ppm1      1.468 ppm2      2.900 CV     1
 ASSI { 2415}
   (( segid " 1SG" and resid 43   and name HB2 ))
   (( segid " 1SG" and resid 43   and name HD1 ))
      2.800     1.000     1.000 peak  2415 spectrum    1 weight  0.10000E+01 volume  0.10311E-02 ppm1      1.235 ppm2      1.303 CV     1
 OR { 2415}
   (( segid " 1SG" and resid 43   and name HB2 ))
   (( segid " 1SG" and resid 43   and name HD2 ))
 ASSI { 2419}
   (( segid " 1SG" and resid 68   and name HA  ))
   (( segid " 1SG" and resid 68   and name HD2 ))
      3.300     1.400     1.400 peak  2419 spectrum    1 weight  0.10000E+01 volume  0.10299E-02 ppm1      3.611 ppm2      1.688 CV     1
 OR { 2419}
   (( segid " 1SG" and resid 68   and name HA  ))
   (( segid " 1SG" and resid 68   and name HD1 ))
 ASSI { 2422}
   (( segid " 1SG" and resid 77   and name HB  ))
   (( segid " 1SG" and resid 20   and name HA1 ))
      3.700     3.700     2.300 peak  2422 spectrum    1 weight  0.10000E+01 volume  0.10282E-02 ppm1      4.020 ppm2      3.721 CV     1
 ASSI { 2432}
   (( segid " 1SG" and resid 9    and name HB2 ))
   (( segid " 1SG" and resid 27   and name HB1 ))
      3.100     1.200     1.200 peak  2432 spectrum    1 weight  0.10000E+01 volume  0.10221E-02 ppm1      1.915 ppm2      1.587 CV     1
 OR { 2432}
   (( segid " 1SG" and resid 9    and name HB2 ))
   (( segid " 1SG" and resid 27   and name HB2 ))
 ASSI { 2438}
   (( segid " 1SG" and resid 41   and name HB2 ))
   (  segid " 1SG" and resid 49   and name HD2%)
      3.200     1.300     1.300 peak  2438 spectrum    1 weight  0.10000E+01 volume  0.10183E-02 ppm1      3.149 ppm2      1.032 CV     1
 ASSI { 2472}
   (( segid " 1SG" and resid 41   and name HA  ))
   (( segid " 1SG" and resid 41   and name HB2 ))
      3.200     1.300     1.300 peak  2472 spectrum    1 weight  0.10000E+01 volume  0.99690E-03 ppm1      5.478 ppm2      3.157 CV     1
 ASSI { 2478}
   (  segid " 1SG" and resid 49   and name HD2%)
   (( segid " 1SG" and resid 53   and name HN  ))
      3.600     1.700     1.700 peak  2478 spectrum    1 weight  0.10000E+01 volume  0.99028E-03 ppm1      1.042 ppm2      6.757 CV     1
 ASSI { 2484}
   (( segid " 1SG" and resid 103  and name HA  ))
   (( segid " 1SG" and resid 86   and name HA1 ))
      4.000     2.000     2.000 peak  2484 spectrum    1 weight  0.10000E+01 volume  0.98858E-03 ppm1      5.555 ppm2      3.498 CV     1
 ASSI { 2491}
   (( segid " 1SG" and resid 76   and name HA  ))
   (( segid " 1SG" and resid 76   and name HG12))
      2.800     0.900     0.900 peak  2491 spectrum    1 weight  0.10000E+01 volume  0.98499E-03 ppm1      5.014 ppm2      1.107 CV     1
 ASSI { 2498}
   (( segid " 1SG" and resid 69   and name HA  ))
   (( segid " 1SG" and resid 69   and name HB  ))
      3.100     1.200     1.200 peak  2498 spectrum    1 weight  0.10000E+01 volume  0.97891E-03 ppm1      4.599 ppm2      1.771 CV     1
 ASSI { 2500}
   (( segid " 1SG" and resid 3    and name HD1 ))
   (( segid " 1SG" and resid 3    and name HB1 ))
      3.500     1.600     1.600 peak  2500 spectrum    1 weight  0.10000E+01 volume  0.97622E-03 ppm1      3.865 ppm2      2.293 CV     1
 OR { 2500}
   (( segid " 1SG" and resid 3    and name HD2 ))
   (( segid " 1SG" and resid 3    and name HB2 ))
 OR { 2500}
   (( segid " 1SG" and resid 3    and name HD1 ))
   (( segid " 1SG" and resid 3    and name HB2 ))
 OR { 2500}
   (( segid " 1SG" and resid 3    and name HD2 ))
   (( segid " 1SG" and resid 3    and name HB1 ))
 ASSI { 2501}
   (( segid " 1SG" and resid 42   and name HA  ))
   (  segid " 1SG" and resid 49   and name HD1%)
      3.000     1.100     1.100 peak  2501 spectrum    1 weight  0.10000E+01 volume  0.97607E-03 ppm1      5.813 ppm2      1.783 CV     1
 ASSI { 2511}
   (( segid " 1SG" and resid 16   and name HB  ))
   (( segid " 1SG" and resid 22   and name HB  ))
      3.500     1.600     1.600 peak  2511 spectrum    1 weight  0.10000E+01 volume  0.96530E-03 ppm1      1.814 ppm2      1.533 CV     1
 ASSI { 2523}
   (  segid " 1SG" and resid 53   and name HG2%)
   (( segid " 1SG" and resid 43   and name HB2 ))
      3.800     1.800     1.800 peak  2523 spectrum    1 weight  0.10000E+01 volume  0.96097E-03 ppm1      1.111 ppm2      1.209 CV     1
 OR { 2523}
   (  segid " 1SG" and resid 53   and name HG1%)
   (( segid " 1SG" and resid 43   and name HB2 ))
 ASSI { 2528}
   (( segid " 1SG" and resid 6    and name HA  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.600     1.600     1.600 peak  2528 spectrum    1 weight  0.10000E+01 volume  0.95808E-03 ppm1      4.452 ppm2      0.493 CV     1
 ASSI { 2549}
   (  segid " 1SG" and resid 39   and name HG2%)
   (( segid " 1SG" and resid 37   and name HB2 ))
      2.900     1.100     1.100 peak  2549 spectrum    1 weight  0.10000E+01 volume  0.94537E-03 ppm1     -0.453 ppm2      1.391 CV     1
 ASSI { 2550}
   (( segid " 1SG" and resid 85   and name HA2 ))
   (( segid " 1SG" and resid 44   and name HA2 ))
      3.300     1.400     1.400 peak  2550 spectrum    1 weight  0.10000E+01 volume  0.94522E-03 ppm1      4.537 ppm2      3.813 CV     1
 ASSI { 2580}
   (  segid " 1SG" and resid 59   and name HD1%)
   (( segid " 1SG" and resid 41   and name HD1 ))
      3.000     1.100     1.100 peak  2580 spectrum    1 weight  0.10000E+01 volume  0.92398E-03 ppm1      0.866 ppm2      7.141 CV     1
 ASSI { 2591}
   (( segid " 1SG" and resid 43   and name HA  ))
   (( segid " 1SG" and resid 43   and name HG2 ))
      3.500     1.500     1.500 peak  2591 spectrum    1 weight  0.10000E+01 volume  0.91656E-03 ppm1      4.134 ppm2      0.081 CV     1
 ASSI { 2595}
   (( segid " 1SG" and resid 108  and name HA  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.500     1.500     1.500 peak  2595 spectrum    1 weight  0.10000E+01 volume  0.91511E-03 ppm1      4.150 ppm2      0.398 CV     1
 ASSI { 2607}
   (  segid " 1SG" and resid 104  and name HD2%)
   (( segid " 1SG" and resid 104  and name HA  ))
      3.700     1.700     1.700 peak  2607 spectrum    1 weight  0.10000E+01 volume  0.90614E-03 ppm1      0.833 ppm2      5.446 CV     1
 ASSI {   29}
   (  segid " 1SG" and resid 97   and name HD% )
   (  segid " 1SG" and resid 97   and name HE% )
      2.100     0.500     0.500 peak    29 spectrum    1 weight  0.10000E+01 volume  0.73947E-02 ppm1      7.085 ppm2      7.264 CV     1
 ASSI {   35}
   (  segid " 1SG" and resid 42   and name HE% )
   (( segid " 1SG" and resid 42   and name HZ  ))
      2.200     0.600     0.600 peak    35 spectrum    1 weight  0.10000E+01 volume  0.63709E-02 ppm1      7.079 ppm2      7.178 CV     1
 ASSI {   46}
   (  segid " 1SG" and resid 70   and name HD% )
   (( segid " 1SG" and resid 70   and name HB2 ))
      2.100     0.500     0.500 peak    46 spectrum    1 weight  0.10000E+01 volume  0.67198E-02 ppm1      7.029 ppm2      2.797 CV     1
 ASSI {   51}
   (  segid " 1SG" and resid 87   and name HD% )
   (  segid " 1SG" and resid 76   and name HD1%)
      2.100     2.100     3.900 peak    51 spectrum    1 weight  0.10000E+01 volume  0.67198E-02 ppm1      6.766 ppm2      0.633 CV     1
 ASSI {   53}
   (  segid " 1SG" and resid 42   and name HD% )
   (  segid " 1SG" and resid 42   and name HE% )
      2.400     0.700     0.700 peak    53 spectrum    1 weight  0.10000E+01 volume  0.33003E-02 ppm1      6.664 ppm2      7.098 CV     1
 ASSI {   62}
   (  segid " 1SG" and resid 87   and name HE% )
   (  segid " 1SG" and resid 104  and name HD1%)
      2.400     2.400     3.600 peak    62 spectrum    1 weight  0.10000E+01 volume  0.67198E-02 ppm1      6.552 ppm2      0.945 CV     1
 ASSI {   77}
   (  segid " 1SG" and resid 63   and name HE% )
   (  segid " 1SG" and resid 63   and name HD% )
      2.600     0.900     0.900 peak    77 spectrum    1 weight  0.10000E+01 volume  0.18736E-02 ppm1      6.071 ppm2      5.874 CV     1
 ASSI {   87}
   (( segid " 1SG" and resid 46   and name HH2 ))
   (( segid " 1SG" and resid 46   and name HZ2 ))
      2.700     0.900     0.900 peak    87 spectrum    1 weight  0.10000E+01 volume  0.15828E-02 ppm1      7.111 ppm2      7.374 CV     1
 ASSI {   97}
   (  segid " 1SG" and resid 70   and name HE% )
   (  segid " 1SG" and resid 70   and name HD% )
      2.700     0.900     0.900 peak    97 spectrum    1 weight  0.10000E+01 volume  0.13395E-02 ppm1      6.595 ppm2      7.034 CV     1
 ASSI {  102}
   (  segid " 1SG" and resid 87   and name HE% )
   (  segid " 1SG" and resid 102  and name HD% )
      2.900     2.900     3.100 peak   102 spectrum    1 weight  0.10000E+01 volume  0.12936E-02 ppm1      6.552 ppm2      6.764 CV     1
 ASSI {  104}
   (( segid " 1SG" and resid 46   and name HD1 ))
   (( segid " 1SG" and resid 46   and name HB2 ))
      2.000     2.000     4.000 peak   104 spectrum    1 weight  0.10000E+01 volume  0.67198E-02 ppm1      7.109 ppm2      3.051 CV     1
 ASSI {  109}
   (  segid " 1SG" and resid 87   and name HD% )
   (  segid " 1SG" and resid 87   and name HE% )
      2.700     0.900     0.900 peak   109 spectrum    1 weight  0.10000E+01 volume  0.11985E-02 ppm1      6.767 ppm2      6.573 CV     1
 ASSI {  120}
   (  segid " 1SG" and resid 102  and name HD% )
   (  segid " 1SG" and resid 102  and name HE% )
      2.100     0.500     0.500 peak   120 spectrum    1 weight  0.10000E+01 volume  0.67198E-02 ppm1      6.778 ppm2      7.092 CV     1
 ASSI {  125}
   (( segid " 1SG" and resid 56   and name HE1 ))
   (( segid " 1SG" and resid 57   and name HG  ))
      3.200     1.300     1.300 peak   125 spectrum    1 weight  0.10000E+01 volume  0.10153E-02 ppm1      7.630 ppm2      0.738 CV     1
 ASSI {  168}
   (  segid " 1SG" and resid 83   and name HD% )
   (( segid " 1SG" and resid 80   and name HN  ))
      2.000     0.500     0.500 peak   168 spectrum    1 weight  0.10000E+01 volume  0.67198E-02 ppm1      7.090 ppm2      5.565 CV     1
 ASSI {  180}
   (( segid " 1SG" and resid 75   and name HE1 ))
   (( segid " 1SG" and resid 75   and name HB2 ))
      2.500     2.500     3.500 peak   180 spectrum    1 weight  0.10000E+01 volume  0.66037E-02 ppm1      8.255 ppm2      2.876 CV     1
 OR {  180}
   (( segid " 1SG" and resid 75   and name HE1 ))
   (( segid " 1SG" and resid 75   and name HB1 ))
 ASSI {  186}
   (  segid " 1SG" and resid 83   and name HD% )
   (  segid " 1SG" and resid 47   and name HG2%)
      2.100     2.100     3.900 peak   186 spectrum    1 weight  0.10000E+01 volume  0.66037E-02 ppm1      7.088 ppm2      0.769 CV     1
 ASSI {  187}
   (  segid " 1SG" and resid 24   and name HD% )
   (  segid " 1SG" and resid 24   and name HE% )
      2.100     0.500     0.500 peak   187 spectrum    1 weight  0.10000E+01 volume  0.66037E-02 ppm1      6.951 ppm2      7.189 CV     1
 ASSI {  189}
   (  segid " 1SG" and resid 83   and name HE% )
   (( segid " 1SG" and resid 57   and name HG  ))
      1.700     1.700     4.300 peak   189 spectrum    1 weight  0.10000E+01 volume  0.66037E-02 ppm1      7.258 ppm2      0.724 CV     1
 ASSI {  190}
   (  segid " 1SG" and resid 83   and name HD% )
   (  segid " 1SG" and resid 83   and name HE% )
      2.000     0.500     0.500 peak   190 spectrum    1 weight  0.10000E+01 volume  0.66306E-02 ppm1      7.090 ppm2      7.269 CV     1
 ASSI {  192}
   (  segid " 1SG" and resid 63   and name HE% )
   (( segid " 1SG" and resid 65   and name HG2 ))
      2.100     0.600     0.600 peak   192 spectrum    1 weight  0.10000E+01 volume  0.66301E-02 ppm1      6.071 ppm2      1.670 CV     1
 OR {  192}
   (  segid " 1SG" and resid 63   and name HE% )
   (( segid " 1SG" and resid 65   and name HG1 ))
 ASSI {  195}
   (( segid " 1SG" and resid 41   and name HZ2 ))
   (( segid " 1SG" and resid 41   and name HH2 ))
      2.000     0.500     0.500 peak   195 spectrum    1 weight  0.10000E+01 volume  0.66301E-02 ppm1      7.080 ppm2      6.606 CV     1
 ASSI {    7}
   (( segid " 1SG" and resid 12   and name HE22))
   (( segid " 1SG" and resid 12   and name HE21))
      1.400     0.300     0.800 peak     7 spectrum    1 weight  0.10000E+01 volume  0.67085E-01 ppm1      6.922 ppm2      7.453 CV     1
 ASSI {   15}
   (( segid " 1SG" and resid 103  and name HD21))
   (( segid " 1SG" and resid 103  and name HD22))
      1.600     0.300     0.600 peak    15 spectrum    1 weight  0.10000E+01 volume  0.32870E-01 ppm1      7.722 ppm2      6.746 CV     1
 ASSI {   22}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 58   and name HE22))
      1.600     0.300     0.600 peak    22 spectrum    1 weight  0.10000E+01 volume  0.25901E-01 ppm1      7.438 ppm2      6.684 CV     1
 ASSI {   41}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 107  and name HA  ))
      2.000     0.500     0.500 peak    41 spectrum    1 weight  0.10000E+01 volume  0.18709E-01 ppm1      8.564 ppm2      4.843 CV     1
 ASSI {   45}
   (( segid " 1SG" and resid 80   and name HE22))
   (( segid " 1SG" and resid 80   and name HE21))
      1.800     0.400     0.400 peak    45 spectrum    1 weight  0.10000E+01 volume  0.18049E-01 ppm1      6.645 ppm2      6.985 CV     1
 ASSI {   51}
   (( segid " 1SG" and resid 66   and name HN  ))
   (  segid " 1SG" and resid 66   and name HB% )
      2.200     0.600     0.600 peak    51 spectrum    1 weight  0.10000E+01 volume  0.16729E-01 ppm1      8.106 ppm2      1.408 CV     1
 ASSI {   59}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 46   and name HD1 ))
      2.100     0.600     0.600 peak    59 spectrum    1 weight  0.10000E+01 volume  0.14632E-01 ppm1     10.116 ppm2      7.133 CV     1
 ASSI {   60}
   (( segid " 1SG" and resid 61   and name HN  ))
   (( segid " 1SG" and resid 60   and name HA  ))
      2.100     0.600     0.600 peak    60 spectrum    1 weight  0.10000E+01 volume  0.14372E-01 ppm1      8.180 ppm2      5.068 CV     1
 ASSI {   62}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 38   and name HA  ))
      2.000     0.500     0.500 peak    62 spectrum    1 weight  0.10000E+01 volume  0.14189E-01 ppm1      7.892 ppm2      3.893 CV     1
 ASSI {   64}
   (( segid " 1SG" and resid 17   and name HN  ))
   (( segid " 1SG" and resid 16   and name HA  ))
      2.200     0.600     0.600 peak    64 spectrum    1 weight  0.10000E+01 volume  0.13869E-01 ppm1      7.900 ppm2      4.580 CV     1
 ASSI {   67}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (( segid " 1SG" and resid 41   and name HD1 ))
      2.200     0.600     0.600 peak    67 spectrum    1 weight  0.10000E+01 volume  0.13331E-01 ppm1     10.780 ppm2      7.129 CV     1
 ASSI {   72}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 12   and name HA  ))
      2.200     0.600     0.600 peak    72 spectrum    1 weight  0.10000E+01 volume  0.12182E-01 ppm1      8.312 ppm2      4.679 CV     1
 ASSI {   80}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 95   and name HA  ))
      2.100     2.100     3.900 peak    80 spectrum    1 weight  0.10000E+01 volume  0.11453E-01 ppm1      7.969 ppm2      4.735 CV     1
 ASSI {   81}
   (( segid " 1SG" and resid 53   and name HN  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      2.000     0.500     0.500 peak    81 spectrum    1 weight  0.10000E+01 volume  0.11276E-01 ppm1      6.764 ppm2      1.067 CV     1
 ASSI {   84}
   (( segid " 1SG" and resid 21   and name HN  ))
   (( segid " 1SG" and resid 20   and name HA1 ))
      2.000     0.500     0.500 peak    84 spectrum    1 weight  0.10000E+01 volume  0.10574E-01 ppm1      8.170 ppm2      3.727 CV     1
 ASSI {   85}
   (( segid " 1SG" and resid 79   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      2.200     0.600     0.600 peak    85 spectrum    1 weight  0.10000E+01 volume  0.10531E-01 ppm1      8.974 ppm2      1.174 CV     1
 ASSI {   88}
   (( segid " 1SG" and resid 18   and name HN  ))
   (( segid " 1SG" and resid 17   and name HA  ))
      2.200     0.600     0.600 peak    88 spectrum    1 weight  0.10000E+01 volume  0.10357E-01 ppm1      8.005 ppm2      4.728 CV     1
 ASSI {   95}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 53   and name HA  ))
      2.100     0.600     0.600 peak    95 spectrum    1 weight  0.10000E+01 volume  0.96245E-02 ppm1      9.019 ppm2      4.049 CV     1
 ASSI {  102}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 93   and name HA  ))
      2.700     2.700     3.300 peak   102 spectrum    1 weight  0.10000E+01 volume  0.94043E-02 ppm1      7.511 ppm2      4.762 CV     1
 ASSI {  111}
   (( segid " 1SG" and resid 93   and name HN  ))
   (( segid " 1SG" and resid 92   and name HA  ))
      2.200     0.600     0.600 peak   111 spectrum    1 weight  0.10000E+01 volume  0.89003E-02 ppm1      8.557 ppm2      5.243 CV     1
 ASSI {  112}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 58   and name HA  ))
      2.100     0.500     0.500 peak   112 spectrum    1 weight  0.10000E+01 volume  0.88441E-02 ppm1      8.381 ppm2      4.632 CV     1
 ASSI {  114}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 64   and name HA  ))
      2.200     0.600     0.600 peak   114 spectrum    1 weight  0.10000E+01 volume  0.86158E-02 ppm1      8.306 ppm2      4.576 CV     1
 ASSI {  116}
   (( segid " 1SG" and resid 48   and name HN  ))
   (( segid " 1SG" and resid 47   and name HA  ))
      2.300     0.600     0.600 peak   116 spectrum    1 weight  0.10000E+01 volume  0.84738E-02 ppm1      8.397 ppm2      4.057 CV     1
 ASSI {  117}
   (( segid " 1SG" and resid 21   and name HN  ))
   (( segid " 1SG" and resid 20   and name HA2 ))
      3.000     1.100     1.100 peak   117 spectrum    1 weight  0.10000E+01 volume  0.84727E-02 ppm1      8.169 ppm2      4.378 CV     1
 ASSI {  120}
   (( segid " 1SG" and resid 23   and name HN  ))
   (( segid " 1SG" and resid 22   and name HA  ))
      2.100     0.600     0.600 peak   120 spectrum    1 weight  0.10000E+01 volume  0.84055E-02 ppm1      7.914 ppm2      4.342 CV     1
 ASSI {  122}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 59   and name HA  ))
      2.200     0.600     0.600 peak   122 spectrum    1 weight  0.10000E+01 volume  0.83580E-02 ppm1      8.687 ppm2      5.184 CV     1
 ASSI {  123}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 21   and name HA  ))
      2.100     0.600     0.600 peak   123 spectrum    1 weight  0.10000E+01 volume  0.82960E-02 ppm1      8.888 ppm2      5.491 CV     1
 ASSI {  125}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 57   and name HA  ))
      2.000     0.500     0.500 peak   125 spectrum    1 weight  0.10000E+01 volume  0.82427E-02 ppm1      8.940 ppm2      5.399 CV     1
 ASSI {  126}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 61   and name HA  ))
      2.100     0.600     0.600 peak   126 spectrum    1 weight  0.10000E+01 volume  0.82212E-02 ppm1      8.849 ppm2      5.560 CV     1
 ASSI {  128}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 53   and name HB  ))
      2.300     2.300     3.700 peak   128 spectrum    1 weight  0.10000E+01 volume  0.81419E-02 ppm1      6.764 ppm2      2.128 CV     1
 ASSI {  130}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 4    and name HB  ))
      2.200     0.600     0.600 peak   130 spectrum    1 weight  0.10000E+01 volume  0.80376E-02 ppm1      8.264 ppm2      2.024 CV     1
 ASSI {  133}
   (( segid " 1SG" and resid 77   and name HN  ))
   (( segid " 1SG" and resid 76   and name HA  ))
      2.100     0.600     0.600 peak   133 spectrum    1 weight  0.10000E+01 volume  0.78875E-02 ppm1      8.717 ppm2      4.983 CV     1
 ASSI {  135}
   (( segid " 1SG" and resid 85   and name HN  ))
   (( segid " 1SG" and resid 84   and name HA  ))
      2.300     0.700     0.700 peak   135 spectrum    1 weight  0.10000E+01 volume  0.78365E-02 ppm1      9.407 ppm2      4.227 CV     1
 OR {  135}
   (( segid " 1SG" and resid 85   and name HN  ))
   (( segid " 1SG" and resid 84   and name HB  ))
 ASSI {  137}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 66   and name HA  ))
      2.500     0.800     0.800 peak   137 spectrum    1 weight  0.10000E+01 volume  0.78163E-02 ppm1      8.106 ppm2      4.123 CV     1
 ASSI {  139}
   (( segid " 1SG" and resid 18   and name HN  ))
   (( segid " 1SG" and resid 18   and name HB  ))
      2.400     0.700     0.700 peak   139 spectrum    1 weight  0.10000E+01 volume  0.76569E-02 ppm1      8.005 ppm2      1.919 CV     1
 ASSI {  140}
   (( segid " 1SG" and resid 29   and name HN  ))
   (  segid " 1SG" and resid 29   and name HB% )
      2.300     0.700     0.700 peak   140 spectrum    1 weight  0.10000E+01 volume  0.75822E-02 ppm1      8.854 ppm2      1.508 CV     1
 ASSI {  142}
   (( segid " 1SG" and resid 47   and name HN  ))
   (  segid " 1SG" and resid 47   and name HG1%)
      3.000     1.100     1.100 peak   142 spectrum    1 weight  0.10000E+01 volume  0.75521E-02 ppm1      7.291 ppm2      0.977 CV     1
 ASSI {  145}
   (( segid " 1SG" and resid 18   and name HN  ))
   (  segid " 1SG" and resid 18   and name HG2%)
      2.400     0.700     0.700 peak   145 spectrum    1 weight  0.10000E+01 volume  0.74843E-02 ppm1      8.005 ppm2      0.939 CV     1
 ASSI {  147}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 96   and name HA  ))
      2.200     0.600     0.600 peak   147 spectrum    1 weight  0.10000E+01 volume  0.74449E-02 ppm1      8.065 ppm2      4.772 CV     1
 ASSI {  148}
   (( segid " 1SG" and resid 12   and name HE21))
   (( segid " 1SG" and resid 12   and name HG2 ))
      2.400     0.700     0.700 peak   148 spectrum    1 weight  0.10000E+01 volume  0.74171E-02 ppm1      7.451 ppm2      2.471 CV     1
 OR {  148}
   (( segid " 1SG" and resid 12   and name HE21))
   (( segid " 1SG" and resid 12   and name HG1 ))
 ASSI {  150}
   (( segid " 1SG" and resid 101  and name HD22))
   (( segid " 1SG" and resid 12   and name HE21))
      2.000     2.000     4.000 peak   150 spectrum    1 weight  0.10000E+01 volume  0.73725E-02 ppm1      6.723 ppm2      7.459 CV     1
 ASSI {  152}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 108  and name HB2 ))
      2.400     0.700     0.700 peak   152 spectrum    1 weight  0.10000E+01 volume  0.73418E-02 ppm1      8.564 ppm2      1.911 CV     1
 ASSI {  155}
   (( segid " 1SG" and resid 19   and name HN  ))
   (( segid " 1SG" and resid 18   and name HA  ))
      2.100     0.600     0.600 peak   155 spectrum    1 weight  0.10000E+01 volume  0.71865E-02 ppm1      9.827 ppm2      3.479 CV     1
 ASSI {  156}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 14   and name HA2 ))
      2.300     0.600     0.600 peak   156 spectrum    1 weight  0.10000E+01 volume  0.71442E-02 ppm1      8.504 ppm2      4.931 CV     1
 ASSI {  159}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 78   and name HA  ))
      2.300     0.700     0.700 peak   159 spectrum    1 weight  0.10000E+01 volume  0.70329E-02 ppm1      8.974 ppm2      4.103 CV     1
 ASSI {  160}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 39   and name HA  ))
      2.100     0.500     0.500 peak   160 spectrum    1 weight  0.10000E+01 volume  0.68661E-02 ppm1      8.694 ppm2      4.799 CV     1
 ASSI {  161}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 37   and name HA  ))
      2.200     0.600     0.600 peak   161 spectrum    1 weight  0.10000E+01 volume  0.68197E-02 ppm1      8.374 ppm2      4.490 CV     1
 ASSI {  164}
   (( segid " 1SG" and resid 29   and name HN  ))
   (( segid " 1SG" and resid 28   and name HA  ))
      2.200     0.600     0.600 peak   164 spectrum    1 weight  0.10000E+01 volume  0.67508E-02 ppm1      8.854 ppm2      4.898 CV     1
 ASSI {  166}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 1    and name HA  ))
      2.200     0.600     0.600 peak   166 spectrum    1 weight  0.10000E+01 volume  0.66465E-02 ppm1      8.116 ppm2      4.614 CV     1
 ASSI {  167}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 24   and name HA  ))
      2.400     0.700     0.700 peak   167 spectrum    1 weight  0.10000E+01 volume  0.65949E-02 ppm1      8.399 ppm2      4.620 CV     1
 ASSI {  169}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 40   and name HA  ))
      2.200     0.600     0.600 peak   169 spectrum    1 weight  0.10000E+01 volume  0.65724E-02 ppm1      9.308 ppm2      4.547 CV     1
 ASSI {  170}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 107  and name HB2 ))
      3.100     1.200     1.200 peak   170 spectrum    1 weight  0.10000E+01 volume  0.65272E-02 ppm1      8.564 ppm2      3.074 CV     1
 OR {  170}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 107  and name HB1 ))
 ASSI {  175}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 23   and name HA  ))
      2.300     0.600     0.600 peak   175 spectrum    1 weight  0.10000E+01 volume  0.63985E-02 ppm1      9.240 ppm2      5.100 CV     1
 ASSI {  176}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 91   and name HA  ))
      2.200     0.600     0.600 peak   176 spectrum    1 weight  0.10000E+01 volume  0.63522E-02 ppm1      8.734 ppm2      4.747 CV     1
 ASSI {  177}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 78   and name HA  ))
      2.200     0.600     0.600 peak   177 spectrum    1 weight  0.10000E+01 volume  0.62433E-02 ppm1      8.053 ppm2      4.102 CV     1
 ASSI {  179}
   (( segid " 1SG" and resid 67   and name HN  ))
   (  segid " 1SG" and resid 66   and name HB% )
      2.700     0.900     0.900 peak   179 spectrum    1 weight  0.10000E+01 volume  0.62346E-02 ppm1      7.421 ppm2      1.408 CV     1
 ASSI {  180}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 3    and name HA  ))
      2.400     0.700     0.700 peak   180 spectrum    1 weight  0.10000E+01 volume  0.61766E-02 ppm1      8.264 ppm2      4.443 CV     1
 ASSI {  181}
   (( segid " 1SG" and resid 101  and name HD21))
   (( segid " 1SG" and resid 101  and name HD22))
      2.100     0.500     0.500 peak   181 spectrum    1 weight  0.10000E+01 volume  0.61593E-02 ppm1      7.438 ppm2      6.719 CV     1
 ASSI {  184}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 108  and name HA  ))
      2.500     0.800     0.800 peak   184 spectrum    1 weight  0.10000E+01 volume  0.60295E-02 ppm1      8.564 ppm2      4.141 CV     1
 ASSI {  186}
   (( segid " 1SG" and resid 30   and name HN  ))
   (( segid " 1SG" and resid 29   and name HA  ))
      2.200     0.600     0.600 peak   186 spectrum    1 weight  0.10000E+01 volume  0.59750E-02 ppm1      8.591 ppm2      4.384 CV     1
 ASSI {  189}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 77   and name HA  ))
      2.200     0.600     0.600 peak   189 spectrum    1 weight  0.10000E+01 volume  0.58545E-02 ppm1      8.053 ppm2      4.655 CV     1
 ASSI {  191}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 20   and name HA1 ))
      2.300     0.700     0.700 peak   191 spectrum    1 weight  0.10000E+01 volume  0.57627E-02 ppm1      8.825 ppm2      3.727 CV     1
 ASSI {  192}
   (( segid " 1SG" and resid 68   and name HN  ))
   (( segid " 1SG" and resid 68   and name HA  ))
      2.300     0.700     0.700 peak   192 spectrum    1 weight  0.10000E+01 volume  0.57341E-02 ppm1      7.877 ppm2      3.593 CV     1
 ASSI {  193}
   (( segid " 1SG" and resid 17   and name HN  ))
   (( segid " 1SG" and resid 17   and name HB  ))
      2.600     0.800     0.800 peak   193 spectrum    1 weight  0.10000E+01 volume  0.57186E-02 ppm1      7.899 ppm2      4.062 CV     1
 ASSI {  194}
   (( segid " 1SG" and resid 69   and name HN  ))
   (  segid " 1SG" and resid 69   and name HG2%)
      2.700     0.900     0.900 peak   194 spectrum    1 weight  0.10000E+01 volume  0.57102E-02 ppm1      6.899 ppm2      0.850 CV     1
 OR {  194}
   (( segid " 1SG" and resid 69   and name HN  ))
   (  segid " 1SG" and resid 69   and name HG1%)
 ASSI {  197}
   (( segid " 1SG" and resid 39   and name HN  ))
   (  segid " 1SG" and resid 38   and name HG2%)
      3.400     1.500     1.500 peak   197 spectrum    1 weight  0.10000E+01 volume  0.56512E-02 ppm1      7.892 ppm2      0.789 CV     1
 ASSI {  198}
   (( segid " 1SG" and resid 63   and name HN  ))
   (( segid " 1SG" and resid 62   and name HA  ))
      2.500     0.800     0.800 peak   198 spectrum    1 weight  0.10000E+01 volume  0.56058E-02 ppm1      8.517 ppm2      4.602 CV     1
 ASSI {  199}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 13   and name HA  ))
      2.800     1.000     1.000 peak   199 spectrum    1 weight  0.10000E+01 volume  0.55863E-02 ppm1      9.183 ppm2      5.338 CV     1
 ASSI {  200}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 72   and name HA  ))
      2.300     0.600     0.600 peak   200 spectrum    1 weight  0.10000E+01 volume  0.55592E-02 ppm1      9.450 ppm2      5.366 CV     1
 ASSI {  201}
   (( segid " 1SG" and resid 12   and name HN  ))
   (( segid " 1SG" and resid 11   and name HA  ))
      2.500     0.800     0.800 peak   201 spectrum    1 weight  0.10000E+01 volume  0.55542E-02 ppm1      8.345 ppm2      4.804 CV     1
 ASSI {  202}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 46   and name HZ2 ))
      2.700     0.900     0.900 peak   202 spectrum    1 weight  0.10000E+01 volume  0.55498E-02 ppm1     10.116 ppm2      7.380 CV     1
 ASSI {  203}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 52   and name HN  ))
      2.500     0.800     0.800 peak   203 spectrum    1 weight  0.10000E+01 volume  0.55235E-02 ppm1      6.764 ppm2      7.787 CV     1
 ASSI {  204}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 20   and name HA2 ))
      2.900     1.000     1.000 peak   204 spectrum    1 weight  0.10000E+01 volume  0.55015E-02 ppm1      8.825 ppm2      4.373 CV     1
 ASSI {  206}
   (( segid " 1SG" and resid 26   and name HN  ))
   (( segid " 1SG" and resid 25   and name HA  ))
      2.300     0.700     0.700 peak   206 spectrum    1 weight  0.10000E+01 volume  0.53973E-02 ppm1      9.497 ppm2      5.685 CV     1
 ASSI {  208}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 105  and name HA  ))
      2.300     0.700     0.700 peak   208 spectrum    1 weight  0.10000E+01 volume  0.53757E-02 ppm1      8.151 ppm2      4.533 CV     1
 ASSI {  211}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 14   and name HA1 ))
      3.100     1.200     1.200 peak   211 spectrum    1 weight  0.10000E+01 volume  0.53443E-02 ppm1      8.504 ppm2      3.743 CV     1
 ASSI {  212}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HB2 ))
      2.600     0.900     0.900 peak   212 spectrum    1 weight  0.10000E+01 volume  0.53395E-02 ppm1      8.305 ppm2      1.753 CV     1
 OR {  212}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HB1 ))
 ASSI {  216}
   (( segid " 1SG" and resid 12   and name HE22))
   (( segid " 1SG" and resid 12   and name HG2 ))
      3.300     1.300     1.300 peak   216 spectrum    1 weight  0.10000E+01 volume  0.52934E-02 ppm1      6.922 ppm2      2.472 CV     1
 OR {  216}
   (( segid " 1SG" and resid 12   and name HE22))
   (( segid " 1SG" and resid 12   and name HG1 ))
 ASSI {  217}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 76   and name HG12))
      3.400     3.400     2.600 peak   217 spectrum    1 weight  0.10000E+01 volume  0.52746E-02 ppm1      9.019 ppm2      1.097 CV     1
 ASSI {  218}
   (( segid " 1SG" and resid 16   and name HN  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      2.500     0.800     0.800 peak   218 spectrum    1 weight  0.10000E+01 volume  0.52671E-02 ppm1      8.593 ppm2      0.602 CV     1
 ASSI {  219}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 67   and name HN  ))
      2.400     0.700     0.700 peak   219 spectrum    1 weight  0.10000E+01 volume  0.52505E-02 ppm1      8.106 ppm2      7.421 CV     1
 ASSI {  220}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 2    and name HB2 ))
      2.400     0.700     0.700 peak   220 spectrum    1 weight  0.10000E+01 volume  0.51917E-02 ppm1      8.116 ppm2      2.658 CV     1
 ASSI {  221}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 39   and name HB  ))
      2.600     0.800     0.800 peak   221 spectrum    1 weight  0.10000E+01 volume  0.51070E-02 ppm1      7.890 ppm2      0.582 CV     1
 ASSI {  222}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 35   and name HA  ))
      2.500     0.800     0.800 peak   222 spectrum    1 weight  0.10000E+01 volume  0.50686E-02 ppm1      7.511 ppm2      4.664 CV     1
 ASSI {  223}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 74   and name HA  ))
      2.300     0.700     0.700 peak   223 spectrum    1 weight  0.10000E+01 volume  0.50610E-02 ppm1      9.151 ppm2      4.330 CV     1
 ASSI {  228}
   (( segid " 1SG" and resid 15   and name HN  ))
   (  segid " 1SG" and resid 22   and name HD1%)
      3.200     1.300     1.300 peak   228 spectrum    1 weight  0.10000E+01 volume  0.49191E-02 ppm1      8.505 ppm2      0.527 CV     1
 ASSI {  229}
   (( segid " 1SG" and resid 85   and name HN  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      3.200     1.200     1.200 peak   229 spectrum    1 weight  0.10000E+01 volume  0.49042E-02 ppm1      9.407 ppm2      1.494 CV     1
 ASSI {  230}
   (( segid " 1SG" and resid 22   and name HN  ))
   (  segid " 1SG" and resid 22   and name HG2%)
      2.500     0.800     0.800 peak   230 spectrum    1 weight  0.10000E+01 volume  0.48761E-02 ppm1      8.888 ppm2      0.583 CV     1
 ASSI {  231}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 68   and name HN  ))
      2.200     0.600     0.600 peak   231 spectrum    1 weight  0.10000E+01 volume  0.48502E-02 ppm1      7.422 ppm2      7.877 CV     1
 ASSI {  235}
   (( segid " 1SG" and resid 18   and name HN  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      2.700     0.900     0.900 peak   235 spectrum    1 weight  0.10000E+01 volume  0.47771E-02 ppm1      8.004 ppm2      1.281 CV     1
 ASSI {  236}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 108  and name HG2 ))
      3.500     1.600     1.600 peak   236 spectrum    1 weight  0.10000E+01 volume  0.47684E-02 ppm1      8.564 ppm2      2.233 CV     1
 OR {  236}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 108  and name HG1 ))
 ASSI {  240}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 26   and name HA  ))
      2.500     0.800     0.800 peak   240 spectrum    1 weight  0.10000E+01 volume  0.46567E-02 ppm1      8.891 ppm2      4.916 CV     1
 ASSI {  244}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 13   and name HB2 ))
      2.800     1.000     1.000 peak   244 spectrum    1 weight  0.10000E+01 volume  0.45955E-02 ppm1      8.312 ppm2      2.683 CV     1
 ASSI {  245}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      2.900     1.100     1.100 peak   245 spectrum    1 weight  0.10000E+01 volume  0.45676E-02 ppm1      7.198 ppm2      1.453 CV     1
 ASSI {  246}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 103  and name HA  ))
      2.400     0.700     0.700 peak   246 spectrum    1 weight  0.10000E+01 volume  0.45667E-02 ppm1      8.793 ppm2      5.542 CV     1
 ASSI {  247}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 98   and name HA  ))
      2.700     0.900     0.900 peak   247 spectrum    1 weight  0.10000E+01 volume  0.45656E-02 ppm1      9.228 ppm2      4.702 CV     1
 ASSI {  248}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 38   and name HB  ))
      2.600     0.800     0.800 peak   248 spectrum    1 weight  0.10000E+01 volume  0.45581E-02 ppm1      8.373 ppm2      1.890 CV     1
 ASSI {  250}
   (( segid " 1SG" and resid 70   and name HN  ))
   (( segid " 1SG" and resid 69   and name HA  ))
      2.400     0.700     0.700 peak   250 spectrum    1 weight  0.10000E+01 volume  0.44751E-02 ppm1      9.273 ppm2      4.579 CV     1
 ASSI {  251}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 84   and name HN  ))
      2.500     0.800     0.800 peak   251 spectrum    1 weight  0.10000E+01 volume  0.44674E-02 ppm1      8.255 ppm2      7.866 CV     1
 ASSI {  253}
   (( segid " 1SG" and resid 10   and name HN  ))
   (( segid " 1SG" and resid 9    and name HA  ))
      2.600     0.800     0.800 peak   253 spectrum    1 weight  0.10000E+01 volume  0.44169E-02 ppm1      8.853 ppm2      4.646 CV     1
 ASSI {  256}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 102  and name HA  ))
      2.500     0.800     0.800 peak   256 spectrum    1 weight  0.10000E+01 volume  0.43851E-02 ppm1      9.243 ppm2      4.989 CV     1
 ASSI {  259}
   (( segid " 1SG" and resid 23   and name HN  ))
   (( segid " 1SG" and resid 23   and name HB  ))
      2.600     0.800     0.800 peak   259 spectrum    1 weight  0.10000E+01 volume  0.42894E-02 ppm1      7.914 ppm2      3.583 CV     1
 ASSI {  265}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 35   and name HG1 ))
      2.500     0.800     0.800 peak   265 spectrum    1 weight  0.10000E+01 volume  0.41538E-02 ppm1      7.511 ppm2      1.348 CV     1
 OR {  265}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 35   and name HG2 ))
 ASSI {  266}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 79   and name HA  ))
      2.600     0.900     0.900 peak   266 spectrum    1 weight  0.10000E+01 volume  0.41042E-02 ppm1      8.973 ppm2      3.661 CV     1
 ASSI {  267}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HG2 ))
      2.800     1.000     1.000 peak   267 spectrum    1 weight  0.10000E+01 volume  0.40906E-02 ppm1      8.306 ppm2      1.685 CV     1
 OR {  267}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HG1 ))
 ASSI {  268}
   (( segid " 1SG" and resid 72   and name HN  ))
   (( segid " 1SG" and resid 71   and name HA  ))
      2.200     0.600     0.600 peak   268 spectrum    1 weight  0.10000E+01 volume  0.40752E-02 ppm1      9.295 ppm2      5.062 CV     1
 ASSI {  269}
   (( segid " 1SG" and resid 17   and name HN  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      3.300     1.300     1.300 peak   269 spectrum    1 weight  0.10000E+01 volume  0.40684E-02 ppm1      7.900 ppm2      1.280 CV     1
 ASSI {  270}
   (( segid " 1SG" and resid 29   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG1%)
      2.600     0.900     0.900 peak   270 spectrum    1 weight  0.10000E+01 volume  0.40552E-02 ppm1      8.855 ppm2      0.945 CV     1
 OR {  270}
   (( segid " 1SG" and resid 29   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG2%)
 ASSI {  271}
   (( segid " 1SG" and resid 94   and name HN  ))
   (( segid " 1SG" and resid 93   and name HA  ))
      2.500     0.800     0.800 peak   271 spectrum    1 weight  0.10000E+01 volume  0.40504E-02 ppm1      8.339 ppm2      4.764 CV     1
 ASSI {  272}
   (( segid " 1SG" and resid 93   and name HN  ))
   (( segid " 1SG" and resid 92   and name HB2 ))
      3.500     1.500     1.500 peak   272 spectrum    1 weight  0.10000E+01 volume  0.40372E-02 ppm1      8.558 ppm2      3.937 CV     1
 OR {  272}
   (( segid " 1SG" and resid 93   and name HN  ))
   (( segid " 1SG" and resid 92   and name HB1 ))
 ASSI {  273}
   (( segid " 1SG" and resid 77   and name HN  ))
   (  segid " 1SG" and resid 76   and name HG2%)
      3.100     1.200     1.200 peak   273 spectrum    1 weight  0.10000E+01 volume  0.39519E-02 ppm1      8.717 ppm2      0.785 CV     1
 ASSI {  274}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 95   and name HN  ))
      1.800     0.400     0.400 peak   274 spectrum    1 weight  0.10000E+01 volume  0.39342E-02 ppm1      7.549 ppm2      7.973 CV     1
 ASSI {  275}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB1 ))
      2.400     0.700     0.700 peak   275 spectrum    1 weight  0.10000E+01 volume  0.39208E-02 ppm1      8.381 ppm2      1.692 CV     1
 OR {  275}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB2 ))
 ASSI {  276}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 96   and name HB2 ))
      3.400     3.400     2.600 peak   276 spectrum    1 weight  0.10000E+01 volume  0.38948E-02 ppm1      8.263 ppm2      1.571 CV     1
 ASSI {  278}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 5    and name HN  ))
      2.400     0.700     0.700 peak   278 spectrum    1 weight  0.10000E+01 volume  0.38770E-02 ppm1      8.263 ppm2      8.143 CV     1
 ASSI {  279}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 68   and name HN  ))
      2.600     0.900     0.900 peak   279 spectrum    1 weight  0.10000E+01 volume  0.38661E-02 ppm1      6.899 ppm2      7.876 CV     1
 ASSI {  281}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 104  and name HA  ))
      2.500     0.800     0.800 peak   281 spectrum    1 weight  0.10000E+01 volume  0.38566E-02 ppm1      8.399 ppm2      5.431 CV     1
 ASSI {  284}
   (( segid " 1SG" and resid 94   and name HN  ))
   (( segid " 1SG" and resid 35   and name HE1 ))
      2.900     2.900     3.100 peak   284 spectrum    1 weight  0.10000E+01 volume  0.38392E-02 ppm1      8.312 ppm2      2.938 CV     1
 OR {  284}
   (( segid " 1SG" and resid 94   and name HN  ))
   (( segid " 1SG" and resid 35   and name HE2 ))
 ASSI {  285}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 4    and name HA  ))
      2.700     0.900     0.900 peak   285 spectrum    1 weight  0.10000E+01 volume  0.38292E-02 ppm1      8.264 ppm2      4.015 CV     1
 ASSI {  287}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 78   and name HN  ))
      2.800     1.000     1.000 peak   287 spectrum    1 weight  0.10000E+01 volume  0.37607E-02 ppm1      8.974 ppm2      8.055 CV     1
 ASSI {  288}
   (( segid " 1SG" and resid 86   and name HN  ))
   (( segid " 1SG" and resid 85   and name HA2 ))
      2.500     0.800     0.800 peak   288 spectrum    1 weight  0.10000E+01 volume  0.37567E-02 ppm1      7.948 ppm2      4.508 CV     1
 ASSI {  290}
   (( segid " 1SG" and resid 48   and name HN  ))
   (( segid " 1SG" and resid 48   and name HB2 ))
      2.800     0.900     0.900 peak   290 spectrum    1 weight  0.10000E+01 volume  0.37260E-02 ppm1      8.397 ppm2      2.936 CV     1
 ASSI {  291}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 65   and name HB2 ))
      3.000     1.100     1.100 peak   291 spectrum    1 weight  0.10000E+01 volume  0.37234E-02 ppm1      8.106 ppm2      1.756 CV     1
 OR {  291}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 65   and name HB1 ))
 ASSI {  294}
   (( segid " 1SG" and resid 98   and name HN  ))
   (( segid " 1SG" and resid 97   and name HA  ))
      2.700     0.900     0.900 peak   294 spectrum    1 weight  0.10000E+01 volume  0.36743E-02 ppm1      8.417 ppm2      5.247 CV     1
 ASSI {  295}
   (( segid " 1SG" and resid 86   and name HN  ))
   (( segid " 1SG" and resid 85   and name HA1 ))
      2.900     1.100     1.100 peak   295 spectrum    1 weight  0.10000E+01 volume  0.36735E-02 ppm1      7.948 ppm2      3.928 CV     1
 ASSI {  297}
   (( segid " 1SG" and resid 19   and name HN  ))
   (( segid " 1SG" and resid 19   and name HA1 ))
      3.000     1.100     1.100 peak   297 spectrum    1 weight  0.10000E+01 volume  0.36311E-02 ppm1      9.829 ppm2      4.250 CV     1
 ASSI {  298}
   (( segid " 1SG" and resid 19   and name HN  ))
   (  segid " 1SG" and resid 18   and name HG1%)
      3.200     1.300     1.300 peak   298 spectrum    1 weight  0.10000E+01 volume  0.36303E-02 ppm1      9.828 ppm2      0.981 CV     1
 ASSI {  299}
   (( segid " 1SG" and resid 70   and name HN  ))
   (  segid " 1SG" and resid 69   and name HG1%)
      2.900     1.100     1.100 peak   299 spectrum    1 weight  0.10000E+01 volume  0.35919E-02 ppm1      9.273 ppm2      0.839 CV     1
 ASSI {  300}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 27   and name HA  ))
      2.400     0.700     0.700 peak   300 spectrum    1 weight  0.10000E+01 volume  0.35742E-02 ppm1      9.673 ppm2      5.831 CV     1
 ASSI {  302}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 53   and name HA  ))
      2.300     0.700     0.700 peak   302 spectrum    1 weight  0.10000E+01 volume  0.35714E-02 ppm1      6.765 ppm2      4.049 CV     1
 ASSI {  303}
   (( segid " 1SG" and resid 84   and name HN  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      3.400     1.500     1.500 peak   303 spectrum    1 weight  0.10000E+01 volume  0.35558E-02 ppm1      7.866 ppm2      1.494 CV     1
 ASSI {  305}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 51   and name HN  ))
      2.500     0.800     0.800 peak   305 spectrum    1 weight  0.10000E+01 volume  0.35394E-02 ppm1      7.784 ppm2      7.881 CV     1
 ASSI {  306}
   (( segid " 1SG" and resid 24   and name HN  ))
   (  segid " 1SG" and resid 23   and name HG2%)
      2.800     1.000     1.000 peak   306 spectrum    1 weight  0.10000E+01 volume  0.35268E-02 ppm1      9.240 ppm2      0.769 CV     1
 ASSI {  307}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 34   and name HA  ))
      3.000     1.100     1.100 peak   307 spectrum    1 weight  0.10000E+01 volume  0.35180E-02 ppm1      7.511 ppm2      4.289 CV     1
 ASSI {  308}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 2    and name HA  ))
      2.700     0.900     0.900 peak   308 spectrum    1 weight  0.10000E+01 volume  0.35158E-02 ppm1      8.115 ppm2      4.899 CV     1
 ASSI {  309}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 68   and name HA  ))
      2.800     0.900     0.900 peak   309 spectrum    1 weight  0.10000E+01 volume  0.35151E-02 ppm1      6.899 ppm2      3.593 CV     1
 ASSI {  310}
   (( segid " 1SG" and resid 90   and name HN  ))
   (( segid " 1SG" and resid 89   and name HA  ))
      2.600     0.900     0.900 peak   310 spectrum    1 weight  0.10000E+01 volume  0.35077E-02 ppm1      9.489 ppm2      4.946 CV     1
 ASSI {  311}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (  segid " 1SG" and resid 39   and name HG1%)
      2.800     1.000     1.000 peak   311 spectrum    1 weight  0.10000E+01 volume  0.35074E-02 ppm1     10.780 ppm2     -0.081 CV     1
 ASSI {  312}
   (( segid " 1SG" and resid 93   and name HN  ))
   (( segid " 1SG" and resid 93   and name HA  ))
      2.700     0.900     0.900 peak   312 spectrum    1 weight  0.10000E+01 volume  0.34916E-02 ppm1      8.558 ppm2      4.778 CV     1
 ASSI {  314}
   (( segid " 1SG" and resid 72   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD1%)
      2.800     1.000     1.000 peak   314 spectrum    1 weight  0.10000E+01 volume  0.34629E-02 ppm1      9.295 ppm2      0.842 CV     1
 ASSI {  315}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 67   and name HA  ))
      2.800     1.000     1.000 peak   315 spectrum    1 weight  0.10000E+01 volume  0.34217E-02 ppm1      7.421 ppm2      4.297 CV     1
 ASSI {  316}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 83   and name HA  ))
      2.700     0.900     0.900 peak   316 spectrum    1 weight  0.10000E+01 volume  0.34126E-02 ppm1      8.255 ppm2      4.603 CV     1
 ASSI {  318}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      3.500     1.500     1.500 peak   318 spectrum    1 weight  0.10000E+01 volume  0.33903E-02 ppm1      8.940 ppm2      1.448 CV     1
 ASSI {  319}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 48   and name HA  ))
      2.500     0.800     0.800 peak   319 spectrum    1 weight  0.10000E+01 volume  0.33884E-02 ppm1      9.288 ppm2      4.192 CV     1
 ASSI {  320}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 58   and name HB2 ))
      3.300     1.400     1.400 peak   320 spectrum    1 weight  0.10000E+01 volume  0.33861E-02 ppm1      7.438 ppm2      2.396 CV     1
 OR {  320}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 58   and name HB1 ))
 ASSI {  321}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 73   and name HA  ))
      2.500     0.800     0.800 peak   321 spectrum    1 weight  0.10000E+01 volume  0.33857E-02 ppm1      8.470 ppm2      5.470 CV     1
 ASSI {  322}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 52   and name HA  ))
      2.800     1.000     1.000 peak   322 spectrum    1 weight  0.10000E+01 volume  0.33848E-02 ppm1      7.785 ppm2      4.613 CV     1
 ASSI {  323}
   (( segid " 1SG" and resid 40   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG1%)
      3.000     1.100     1.100 peak   323 spectrum    1 weight  0.10000E+01 volume  0.33425E-02 ppm1      8.694 ppm2     -0.080 CV     1
 ASSI {  324}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 43   and name HA  ))
      2.400     0.700     0.700 peak   324 spectrum    1 weight  0.10000E+01 volume  0.33408E-02 ppm1      8.211 ppm2      4.128 CV     1
 ASSI {  325}
   (( segid " 1SG" and resid 4    and name HN  ))
   (  segid " 1SG" and resid 4    and name HG2%)
      3.500     1.600     1.600 peak   325 spectrum    1 weight  0.10000E+01 volume  0.33275E-02 ppm1      8.264 ppm2      0.922 CV     1
 ASSI {  326}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 83   and name HB2 ))
      2.400     0.700     0.700 peak   326 spectrum    1 weight  0.10000E+01 volume  0.33099E-02 ppm1      8.255 ppm2      3.172 CV     1
 ASSI {  327}
   (( segid " 1SG" and resid 75   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD1%)
      3.500     1.600     1.600 peak   327 spectrum    1 weight  0.10000E+01 volume  0.32923E-02 ppm1      9.151 ppm2      0.400 CV     1
 OR {  327}
   (( segid " 1SG" and resid 75   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD2%)
 ASSI {  328}
   (( segid " 1SG" and resid 107  and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      2.900     1.100     1.100 peak   328 spectrum    1 weight  0.10000E+01 volume  0.32899E-02 ppm1      8.822 ppm2      0.372 CV     1
 ASSI {  329}
   (( segid " 1SG" and resid 64   and name HN  ))
   (( segid " 1SG" and resid 64   and name HB2 ))
      2.900     1.000     1.000 peak   329 spectrum    1 weight  0.10000E+01 volume  0.32896E-02 ppm1      7.752 ppm2      2.335 CV     1
 ASSI {  330}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 5    and name HA2 ))
      3.300     1.400     1.400 peak   330 spectrum    1 weight  0.10000E+01 volume  0.32806E-02 ppm1      8.264 ppm2      3.842 CV     1
 OR {  330}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 5    and name HA1 ))
 ASSI {  332}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 75   and name HB2 ))
      2.800     0.900     0.900 peak   332 spectrum    1 weight  0.10000E+01 volume  0.32375E-02 ppm1      9.150 ppm2      2.889 CV     1
 OR {  332}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 75   and name HB1 ))
 ASSI {  333}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 15   and name HB1 ))
      2.900     1.000     1.000 peak   333 spectrum    1 weight  0.10000E+01 volume  0.32327E-02 ppm1      8.504 ppm2      2.013 CV     1
 OR {  333}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 15   and name HB2 ))
 ASSI {  335}
   (( segid " 1SG" and resid 5    and name HN  ))
   (( segid " 1SG" and resid 5    and name HA2 ))
      2.700     0.900     0.900 peak   335 spectrum    1 weight  0.10000E+01 volume  0.31930E-02 ppm1      8.144 ppm2      3.857 CV     1
 OR {  335}
   (( segid " 1SG" and resid 5    and name HN  ))
   (( segid " 1SG" and resid 5    and name HA1 ))
 ASSI {  336}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (  segid " 1SG" and resid 59   and name HD2%)
      2.800     1.000     1.000 peak   336 spectrum    1 weight  0.10000E+01 volume  0.31869E-02 ppm1     10.780 ppm2      0.692 CV     1
 ASSI {  339}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 19   and name HN  ))
      2.500     0.800     0.800 peak   339 spectrum    1 weight  0.10000E+01 volume  0.31622E-02 ppm1      8.825 ppm2      9.828 CV     1
 ASSI {  340}
   (( segid " 1SG" and resid 80   and name HE21))
   (( segid " 1SG" and resid 80   and name HG2 ))
      2.800     1.000     1.000 peak   340 spectrum    1 weight  0.10000E+01 volume  0.31573E-02 ppm1      6.984 ppm2      2.164 CV     1
 OR {  340}
   (( segid " 1SG" and resid 80   and name HE21))
   (( segid " 1SG" and resid 80   and name HG1 ))
 ASSI {  342}
   (( segid " 1SG" and resid 18   and name HN  ))
   (( segid " 1SG" and resid 17   and name HB  ))
      3.100     1.200     1.200 peak   342 spectrum    1 weight  0.10000E+01 volume  0.31491E-02 ppm1      8.006 ppm2      4.061 CV     1
 ASSI {  344}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 107  and name HB1 ))
      2.800     1.000     1.000 peak   344 spectrum    1 weight  0.10000E+01 volume  0.31387E-02 ppm1      8.825 ppm2      3.076 CV     1
 OR {  344}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 107  and name HB2 ))
 ASSI {  346}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HA  ))
      2.800     1.000     1.000 peak   346 spectrum    1 weight  0.10000E+01 volume  0.31249E-02 ppm1      8.305 ppm2      3.450 CV     1
 ASSI {  348}
   (( segid " 1SG" and resid 21   and name HN  ))
   (( segid " 1SG" and resid 20   and name HN  ))
      3.600     1.600     1.600 peak   348 spectrum    1 weight  0.10000E+01 volume  0.31029E-02 ppm1      8.168 ppm2      8.828 CV     1
 ASSI {  350}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 42   and name HA  ))
      2.600     0.900     0.900 peak   350 spectrum    1 weight  0.10000E+01 volume  0.30871E-02 ppm1      8.632 ppm2      5.786 CV     1
 ASSI {  351}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 54   and name HN  ))
      2.700     0.900     0.900 peak   351 spectrum    1 weight  0.10000E+01 volume  0.30696E-02 ppm1      7.198 ppm2      9.022 CV     1
 ASSI {  352}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 15   and name HB2 ))
      3.400     1.400     1.400 peak   352 spectrum    1 weight  0.10000E+01 volume  0.30683E-02 ppm1      8.593 ppm2      2.019 CV     1
 OR {  352}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 15   and name HB1 ))
 ASSI {  353}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 4    and name HG12))
      3.500     1.600     1.600 peak   353 spectrum    1 weight  0.10000E+01 volume  0.30683E-02 ppm1      8.263 ppm2      1.225 CV     1
 ASSI {  354}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 16   and name HA  ))
      2.800     1.000     1.000 peak   354 spectrum    1 weight  0.10000E+01 volume  0.30652E-02 ppm1      8.593 ppm2      4.581 CV     1
 ASSI {  355}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 52   and name HA  ))
      3.200     1.200     1.200 peak   355 spectrum    1 weight  0.10000E+01 volume  0.30635E-02 ppm1      6.764 ppm2      4.611 CV     1
 ASSI {  356}
   (( segid " 1SG" and resid 48   and name HN  ))
   (  segid " 1SG" and resid 47   and name HG2%)
      3.600     1.700     1.700 peak   356 spectrum    1 weight  0.10000E+01 volume  0.30558E-02 ppm1      8.397 ppm2      0.779 CV     1
 ASSI {  357}
   (( segid " 1SG" and resid 23   and name HN  ))
   (( segid " 1SG" and resid 22   and name HG12))
      3.700     1.700     1.700 peak   357 spectrum    1 weight  0.10000E+01 volume  0.30533E-02 ppm1      7.913 ppm2      0.071 CV     1
 ASSI {  358}
   (( segid " 1SG" and resid 39   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG2%)
      2.700     0.900     0.900 peak   358 spectrum    1 weight  0.10000E+01 volume  0.30522E-02 ppm1      7.891 ppm2     -0.459 CV     1
 ASSI {  362}
   (( segid " 1SG" and resid 18   and name HN  ))
   (( segid " 1SG" and resid 18   and name HA  ))
      2.700     0.900     0.900 peak   362 spectrum    1 weight  0.10000E+01 volume  0.30130E-02 ppm1      8.005 ppm2      3.479 CV     1
 ASSI {  363}
   (( segid " 1SG" and resid 47   and name HN  ))
   (  segid " 1SG" and resid 47   and name HG2%)
      2.500     2.500     3.500 peak   363 spectrum    1 weight  0.10000E+01 volume  0.29896E-02 ppm1      7.291 ppm2      0.780 CV     1
 ASSI {  364}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 65   and name HN  ))
      2.600     0.900     0.900 peak   364 spectrum    1 weight  0.10000E+01 volume  0.29841E-02 ppm1      8.106 ppm2      8.306 CV     1
 ASSI {  367}
   (( segid " 1SG" and resid 17   and name HN  ))
   (( segid " 1SG" and resid 16   and name HB  ))
      2.800     1.000     1.000 peak   367 spectrum    1 weight  0.10000E+01 volume  0.29696E-02 ppm1      7.901 ppm2      1.791 CV     1
 ASSI {  368}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 67   and name HB1 ))
      2.900     1.000     1.000 peak   368 spectrum    1 weight  0.10000E+01 volume  0.29668E-02 ppm1      7.421 ppm2      3.728 CV     1
 OR {  368}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 67   and name HB2 ))
 ASSI {  370}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 61   and name HB2 ))
      3.300     1.400     1.400 peak   370 spectrum    1 weight  0.10000E+01 volume  0.29589E-02 ppm1      8.849 ppm2      2.303 CV     1
 ASSI {  371}
   (( segid " 1SG" and resid 92   and name HN  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      2.600     0.900     0.900 peak   371 spectrum    1 weight  0.10000E+01 volume  0.29550E-02 ppm1      8.734 ppm2      0.173 CV     1
 ASSI {  372}
   (( segid " 1SG" and resid 64   and name HN  ))
   (( segid " 1SG" and resid 64   and name HA  ))
      2.800     1.000     1.000 peak   372 spectrum    1 weight  0.10000E+01 volume  0.29515E-02 ppm1      7.752 ppm2      4.579 CV     1
 ASSI {  373}
   (( segid " 1SG" and resid 64   and name HN  ))
   (  segid " 1SG" and resid 63   and name HD% )
      3.200     1.300     1.300 peak   373 spectrum    1 weight  0.10000E+01 volume  0.29405E-02 ppm1      7.752 ppm2      5.902 CV     1
 ASSI {  374}
   (( segid " 1SG" and resid 77   and name HN  ))
   (  segid " 1SG" and resid 77   and name HG2%)
      2.800     1.000     1.000 peak   374 spectrum    1 weight  0.10000E+01 volume  0.29274E-02 ppm1      8.717 ppm2      1.030 CV     1
 ASSI {  376}
   (( segid " 1SG" and resid 42   and name HN  ))
   (( segid " 1SG" and resid 41   and name HA  ))
      2.600     0.900     0.900 peak   376 spectrum    1 weight  0.10000E+01 volume  0.29193E-02 ppm1      9.447 ppm2      5.468 CV     1
 ASSI {  378}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 12   and name HB2 ))
      3.400     1.400     1.400 peak   378 spectrum    1 weight  0.10000E+01 volume  0.29103E-02 ppm1      8.312 ppm2      1.966 CV     1
 ASSI {  379}
   (( segid " 1SG" and resid 58   and name HE22))
   (( segid " 1SG" and resid 58   and name HB2 ))
      3.700     1.700     1.700 peak   379 spectrum    1 weight  0.10000E+01 volume  0.29032E-02 ppm1      6.684 ppm2      2.396 CV     1
 OR {  379}
   (( segid " 1SG" and resid 58   and name HE22))
   (( segid " 1SG" and resid 58   and name HB1 ))
 ASSI {  382}
   (( segid " 1SG" and resid 76   and name HN  ))
   (( segid " 1SG" and resid 76   and name HB  ))
      2.600     0.800     0.800 peak   382 spectrum    1 weight  0.10000E+01 volume  0.28836E-02 ppm1      8.925 ppm2      1.902 CV     1
 ASSI {  383}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 12   and name HG1 ))
      4.100     2.100     1.900 peak   383 spectrum    1 weight  0.10000E+01 volume  0.28804E-02 ppm1      8.312 ppm2      2.471 CV     1
 OR {  383}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 12   and name HG2 ))
 ASSI {  384}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 96   and name HG1 ))
      3.100     1.200     1.200 peak   384 spectrum    1 weight  0.10000E+01 volume  0.28774E-02 ppm1      7.548 ppm2      1.318 CV     1
 OR {  384}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 96   and name HG2 ))
 ASSI {  388}
   (( segid " 1SG" and resid 106  and name HN  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      3.600     1.600     1.600 peak   388 spectrum    1 weight  0.10000E+01 volume  0.28484E-02 ppm1      8.150 ppm2      1.495 CV     1
 ASSI {  389}
   (( segid " 1SG" and resid 26   and name HN  ))
   (  segid " 1SG" and resid 26   and name HB% )
      2.800     1.000     1.000 peak   389 spectrum    1 weight  0.10000E+01 volume  0.28455E-02 ppm1      9.497 ppm2      1.455 CV     1
 ASSI {  390}
   (( segid " 1SG" and resid 20   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      3.200     1.300     1.300 peak   390 spectrum    1 weight  0.10000E+01 volume  0.28420E-02 ppm1      8.825 ppm2      1.174 CV     1
 ASSI {  391}
   (( segid " 1SG" and resid 21   and name HN  ))
   (( segid " 1SG" and resid 21   and name HA  ))
      2.600     0.800     0.800 peak   391 spectrum    1 weight  0.10000E+01 volume  0.28379E-02 ppm1      8.169 ppm2      5.493 CV     1
 ASSI {  392}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 59   and name HG  ))
      3.600     1.600     1.600 peak   392 spectrum    1 weight  0.10000E+01 volume  0.28348E-02 ppm1      8.382 ppm2      1.425 CV     1
 ASSI {  393}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 57   and name HA  ))
      2.600     0.900     0.900 peak   393 spectrum    1 weight  0.10000E+01 volume  0.28348E-02 ppm1      7.198 ppm2      5.399 CV     1
 ASSI {  395}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 107  and name HA  ))
      2.800     1.000     1.000 peak   395 spectrum    1 weight  0.10000E+01 volume  0.28256E-02 ppm1      8.825 ppm2      4.841 CV     1
 ASSI {  396}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 53   and name HB  ))
      3.600     1.600     1.600 peak   396 spectrum    1 weight  0.10000E+01 volume  0.28169E-02 ppm1      9.019 ppm2      2.127 CV     1
 ASSI {  398}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 13   and name HA  ))
      2.800     1.000     1.000 peak   398 spectrum    1 weight  0.10000E+01 volume  0.28132E-02 ppm1      8.312 ppm2      5.337 CV     1
 ASSI {  399}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 44   and name HA1 ))
      2.600     0.900     0.900 peak   399 spectrum    1 weight  0.10000E+01 volume  0.28004E-02 ppm1      8.211 ppm2      3.463 CV     1
 ASSI {  401}
   (( segid " 1SG" and resid 12   and name HN  ))
   (( segid " 1SG" and resid 12   and name HG2 ))
      3.000     1.100     1.100 peak   401 spectrum    1 weight  0.10000E+01 volume  0.27859E-02 ppm1      8.346 ppm2      2.468 CV     1
 OR {  401}
   (( segid " 1SG" and resid 12   and name HN  ))
   (( segid " 1SG" and resid 12   and name HG1 ))
 ASSI {  403}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB1 ))
      3.500     1.500     1.500 peak   403 spectrum    1 weight  0.10000E+01 volume  0.27700E-02 ppm1      8.686 ppm2      1.687 CV     1
 OR {  403}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB2 ))
 ASSI {  404}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 62   and name HA  ))
      2.800     1.000     1.000 peak   404 spectrum    1 weight  0.10000E+01 volume  0.27687E-02 ppm1      8.849 ppm2      4.602 CV     1
 ASSI {  407}
   (( segid " 1SG" and resid 60   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD2%)
      3.100     1.200     1.200 peak   407 spectrum    1 weight  0.10000E+01 volume  0.27496E-02 ppm1      8.689 ppm2      0.691 CV     1
 ASSI {  408}
   (( segid " 1SG" and resid 106  and name HN  ))
   (  segid " 1SG" and resid 106  and name HG1%)
      2.600     0.800     0.800 peak   408 spectrum    1 weight  0.10000E+01 volume  0.27354E-02 ppm1      8.151 ppm2      0.679 CV     1
 ASSI {  409}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 41   and name HD1 ))
      2.800     1.000     1.000 peak   409 spectrum    1 weight  0.10000E+01 volume  0.27228E-02 ppm1      9.308 ppm2      7.130 CV     1
 ASSI {  411}
   (( segid " 1SG" and resid 51   and name HN  ))
   (( segid " 1SG" and resid 51   and name HA  ))
      3.000     1.100     1.100 peak   411 spectrum    1 weight  0.10000E+01 volume  0.26756E-02 ppm1      7.877 ppm2      4.560 CV     1
 ASSI {  413}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 15   and name HG1 ))
      3.300     1.400     1.400 peak   413 spectrum    1 weight  0.10000E+01 volume  0.26664E-02 ppm1      8.506 ppm2      2.277 CV     1
 OR {  413}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 15   and name HG2 ))
 ASSI {  415}
   (( segid " 1SG" and resid 17   and name HN  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      3.200     1.300     1.300 peak   415 spectrum    1 weight  0.10000E+01 volume  0.26658E-02 ppm1      7.900 ppm2      0.602 CV     1
 ASSI {  416}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 15   and name HA  ))
      2.800     1.000     1.000 peak   416 spectrum    1 weight  0.10000E+01 volume  0.26586E-02 ppm1      8.504 ppm2      5.491 CV     1
 ASSI {  417}
   (( segid " 1SG" and resid 103  and name HD21))
   (( segid " 1SG" and resid 103  and name HB2 ))
      2.800     1.000     1.000 peak   417 spectrum    1 weight  0.10000E+01 volume  0.26555E-02 ppm1      7.721 ppm2      2.502 CV     1
 ASSI {  421}
   (( segid " 1SG" and resid 80   and name HE22))
   (( segid " 1SG" and resid 80   and name HG2 ))
      3.700     1.700     1.700 peak   421 spectrum    1 weight  0.10000E+01 volume  0.26442E-02 ppm1      6.645 ppm2      2.164 CV     1
 OR {  421}
   (( segid " 1SG" and resid 80   and name HE22))
   (( segid " 1SG" and resid 80   and name HG1 ))
 ASSI {  422}
   (( segid " 1SG" and resid 100  and name HN  ))
   (( segid " 1SG" and resid 99   and name HA  ))
      2.800     1.000     1.000 peak   422 spectrum    1 weight  0.10000E+01 volume  0.26321E-02 ppm1      8.896 ppm2      5.700 CV     1
 ASSI {  424}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 38   and name HA  ))
      2.800     1.000     1.000 peak   424 spectrum    1 weight  0.10000E+01 volume  0.26188E-02 ppm1      8.372 ppm2      3.897 CV     1
 ASSI {  425}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 53   and name HB  ))
      3.000     1.100     1.100 peak   425 spectrum    1 weight  0.10000E+01 volume  0.26102E-02 ppm1      7.785 ppm2      2.145 CV     1
 ASSI {  426}
   (( segid " 1SG" and resid 78   and name HN  ))
   (  segid " 1SG" and resid 77   and name HG2%)
      3.900     1.900     1.900 peak   426 spectrum    1 weight  0.10000E+01 volume  0.26098E-02 ppm1      8.054 ppm2      1.025 CV     1
 ASSI {  427}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 103  and name HB2 ))
      2.900     1.100     1.100 peak   427 spectrum    1 weight  0.10000E+01 volume  0.26084E-02 ppm1      9.242 ppm2      2.501 CV     1
 ASSI {  430}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 50   and name HA  ))
      3.000     1.100     1.100 peak   430 spectrum    1 weight  0.10000E+01 volume  0.25792E-02 ppm1      8.940 ppm2      3.956 CV     1
 ASSI {  431}
   (( segid " 1SG" and resid 23   and name HN  ))
   (  segid " 1SG" and resid 22   and name HD1%)
      2.800     1.000     1.000 peak   431 spectrum    1 weight  0.10000E+01 volume  0.25761E-02 ppm1      7.912 ppm2      0.534 CV     1
 ASSI {  432}
   (( segid " 1SG" and resid 30   and name HN  ))
   (( segid " 1SG" and resid 69   and name HA  ))
      2.700     0.900     0.900 peak   432 spectrum    1 weight  0.10000E+01 volume  0.25687E-02 ppm1      8.591 ppm2      4.580 CV     1
 ASSI {  434}
   (( segid " 1SG" and resid 61   and name HN  ))
   (( segid " 1SG" and resid 61   and name HA  ))
      2.800     1.000     1.000 peak   434 spectrum    1 weight  0.10000E+01 volume  0.25570E-02 ppm1      8.180 ppm2      5.560 CV     1
 ASSI {  435}
   (( segid " 1SG" and resid 87   and name HN  ))
   (( segid " 1SG" and resid 86   and name HA2 ))
      2.500     0.800     0.800 peak   435 spectrum    1 weight  0.10000E+01 volume  0.25507E-02 ppm1      9.112 ppm2      4.658 CV     1
 ASSI {  437}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 13   and name HA  ))
      2.900     1.000     1.000 peak   437 spectrum    1 weight  0.10000E+01 volume  0.25448E-02 ppm1      9.242 ppm2      5.338 CV     1
 ASSI {  439}
   (( segid " 1SG" and resid 8    and name HN  ))
   (( segid " 1SG" and resid 7    and name HA  ))
      2.700     0.900     0.900 peak   439 spectrum    1 weight  0.10000E+01 volume  0.25395E-02 ppm1      9.052 ppm2      4.631 CV     1
 ASSI {  440}
   (( segid " 1SG" and resid 86   and name HN  ))
   (( segid " 1SG" and resid 86   and name HA2 ))
      3.000     1.100     1.100 peak   440 spectrum    1 weight  0.10000E+01 volume  0.25393E-02 ppm1      7.947 ppm2      4.658 CV     1
 ASSI {  443}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 77   and name HB  ))
      2.800     1.000     1.000 peak   443 spectrum    1 weight  0.10000E+01 volume  0.25099E-02 ppm1      8.053 ppm2      4.009 CV     1
 ASSI {  446}
   (( segid " 1SG" and resid 101  and name HN  ))
   (( segid " 1SG" and resid 100  and name HA  ))
      2.700     0.900     0.900 peak   446 spectrum    1 weight  0.10000E+01 volume  0.24724E-02 ppm1      9.045 ppm2      4.660 CV     1
 ASSI {  448}
   (( segid " 1SG" and resid 63   and name HN  ))
   (( segid " 1SG" and resid 62   and name HB2 ))
      3.400     1.500     1.500 peak   448 spectrum    1 weight  0.10000E+01 volume  0.24714E-02 ppm1      8.516 ppm2      3.810 CV     1
 ASSI {  449}
   (( segid " 1SG" and resid 8    and name HN  ))
   (  segid " 1SG" and resid 8    and name HG1%)
      2.800     1.000     1.000 peak   449 spectrum    1 weight  0.10000E+01 volume  0.24712E-02 ppm1      9.052 ppm2      0.947 CV     1
 OR {  449}
   (( segid " 1SG" and resid 8    and name HN  ))
   (  segid " 1SG" and resid 8    and name HG2%)
 ASSI {  450}
   (( segid " 1SG" and resid 9    and name HN  ))
   (  segid " 1SG" and resid 8    and name HG1%)
      3.700     1.700     1.700 peak   450 spectrum    1 weight  0.10000E+01 volume  0.24559E-02 ppm1      7.890 ppm2      0.950 CV     1
 OR {  450}
   (( segid " 1SG" and resid 9    and name HN  ))
   (  segid " 1SG" and resid 8    and name HG2%)
 ASSI {  453}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 52   and name HB2 ))
      2.600     0.800     0.800 peak   453 spectrum    1 weight  0.10000E+01 volume  0.24328E-02 ppm1      7.785 ppm2      1.718 CV     1
 ASSI {  454}
   (( segid " 1SG" and resid 39   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG1%)
      3.800     1.800     1.800 peak   454 spectrum    1 weight  0.10000E+01 volume  0.24283E-02 ppm1      7.892 ppm2     -0.081 CV     1
 ASSI {  456}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 37   and name HB2 ))
      3.300     1.400     1.400 peak   456 spectrum    1 weight  0.10000E+01 volume  0.24134E-02 ppm1      8.373 ppm2      1.365 CV     1
 OR {  456}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 37   and name HG2 ))
 ASSI {  458}
   (( segid " 1SG" and resid 48   and name HN  ))
   (  segid " 1SG" and resid 47   and name HG1%)
      3.100     1.200     1.200 peak   458 spectrum    1 weight  0.10000E+01 volume  0.23996E-02 ppm1      8.397 ppm2      0.978 CV     1
 ASSI {  460}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 54   and name HA1 ))
      2.800     1.000     1.000 peak   460 spectrum    1 weight  0.10000E+01 volume  0.23904E-02 ppm1      9.019 ppm2      3.910 CV     1
 ASSI {  461}
   (( segid " 1SG" and resid 93   and name HN  ))
   (  segid " 1SG" and resid 93   and name HG2%)
      3.400     1.400     1.400 peak   461 spectrum    1 weight  0.10000E+01 volume  0.23854E-02 ppm1      8.557 ppm2      1.024 CV     1
 ASSI {  463}
   (( segid " 1SG" and resid 84   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG1%)
      2.700     0.900     0.900 peak   463 spectrum    1 weight  0.10000E+01 volume  0.23446E-02 ppm1      7.866 ppm2      0.680 CV     1
 ASSI {  465}
   (( segid " 1SG" and resid 40   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG2%)
      3.900     1.900     1.900 peak   465 spectrum    1 weight  0.10000E+01 volume  0.23373E-02 ppm1      8.695 ppm2     -0.459 CV     1
 ASSI {  466}
   (( segid " 1SG" and resid 24   and name HN  ))
   (  segid " 1SG" and resid 24   and name HD% )
      3.100     1.200     1.200 peak   466 spectrum    1 weight  0.10000E+01 volume  0.23292E-02 ppm1      9.240 ppm2      6.937 CV     1
 ASSI {  468}
   (( segid " 1SG" and resid 83   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG1%)
      2.600     0.900     0.900 peak   468 spectrum    1 weight  0.10000E+01 volume  0.23270E-02 ppm1      8.255 ppm2      0.675 CV     1
 ASSI {  469}
   (( segid " 1SG" and resid 27   and name HN  ))
   (  segid " 1SG" and resid 26   and name HB% )
      3.300     1.400     1.400 peak   469 spectrum    1 weight  0.10000E+01 volume  0.23181E-02 ppm1      8.888 ppm2      1.455 CV     1
 ASSI {  470}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 47   and name HA  ))
      2.700     0.900     0.900 peak   470 spectrum    1 weight  0.10000E+01 volume  0.23143E-02 ppm1      7.291 ppm2      4.058 CV     1
 ASSI {  474}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 21   and name HB2 ))
      2.800     1.000     1.000 peak   474 spectrum    1 weight  0.10000E+01 volume  0.23064E-02 ppm1      8.888 ppm2      3.751 CV     1
 ASSI {  476}
   (( segid " 1SG" and resid 51   and name HN  ))
   (( segid " 1SG" and resid 50   and name HN  ))
      2.800     1.000     1.000 peak   476 spectrum    1 weight  0.10000E+01 volume  0.22985E-02 ppm1      7.880 ppm2      8.943 CV     1
 ASSI {  477}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 18   and name HA  ))
      4.000     2.000     2.000 peak   477 spectrum    1 weight  0.10000E+01 volume  0.22964E-02 ppm1      8.823 ppm2      3.479 CV     1
 ASSI {  479}
   (( segid " 1SG" and resid 76   and name HN  ))
   (  segid " 1SG" and resid 23   and name HG2%)
      3.600     1.600     1.600 peak   479 spectrum    1 weight  0.10000E+01 volume  0.22926E-02 ppm1      8.927 ppm2      0.780 CV     1
 ASSI {  480}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 22   and name HA  ))
      2.700     0.900     0.900 peak   480 spectrum    1 weight  0.10000E+01 volume  0.22805E-02 ppm1      8.888 ppm2      4.342 CV     1
 ASSI {  482}
   (( segid " 1SG" and resid 49   and name HN  ))
   (  segid " 1SG" and resid 49   and name HD1%)
      2.700     0.900     0.900 peak   482 spectrum    1 weight  0.10000E+01 volume  0.22746E-02 ppm1      9.288 ppm2      1.750 CV     1
 ASSI {  483}
   (( segid " 1SG" and resid 30   and name HN  ))
   (( segid " 1SG" and resid 30   and name HA1 ))
      2.700     0.900     0.900 peak   483 spectrum    1 weight  0.10000E+01 volume  0.22671E-02 ppm1      8.591 ppm2      3.945 CV     1
 ASSI {  484}
   (( segid " 1SG" and resid 18   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.000     1.200     1.200 peak   484 spectrum    1 weight  0.10000E+01 volume  0.22443E-02 ppm1      8.006 ppm2      0.372 CV     1
 ASSI {  487}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 69   and name HB  ))
      3.100     3.100     2.900 peak   487 spectrum    1 weight  0.10000E+01 volume  0.22194E-02 ppm1      8.723 ppm2      1.750 CV     1
 ASSI {  489}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 97   and name HB2 ))
      3.100     1.200     1.200 peak   489 spectrum    1 weight  0.10000E+01 volume  0.22143E-02 ppm1      8.062 ppm2      2.677 CV     1
 ASSI {  490}
   (( segid " 1SG" and resid 83   and name HN  ))
   (  segid " 1SG" and resid 83   and name HD% )
      3.700     1.700     1.700 peak   490 spectrum    1 weight  0.10000E+01 volume  0.22142E-02 ppm1      8.256 ppm2      7.116 CV     1
 ASSI {  493}
   (( segid " 1SG" and resid 23   and name HN  ))
   (( segid " 1SG" and resid 22   and name HB  ))
      3.700     1.700     1.700 peak   493 spectrum    1 weight  0.10000E+01 volume  0.22063E-02 ppm1      7.914 ppm2      1.515 CV     1
 ASSI {  495}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 44   and name HA2 ))
      2.800     1.000     1.000 peak   495 spectrum    1 weight  0.10000E+01 volume  0.21945E-02 ppm1      8.211 ppm2      3.816 CV     1
 ASSI {  498}
   (( segid " 1SG" and resid 52   and name HN  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      3.200     1.300     1.300 peak   498 spectrum    1 weight  0.10000E+01 volume  0.21854E-02 ppm1      7.782 ppm2      1.075 CV     1
 ASSI {  500}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 66   and name HA  ))
      3.100     1.200     1.200 peak   500 spectrum    1 weight  0.10000E+01 volume  0.21816E-02 ppm1      7.422 ppm2      4.123 CV     1
 ASSI {  501}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 106  and name HB  ))
      2.900     1.100     1.100 peak   501 spectrum    1 weight  0.10000E+01 volume  0.21784E-02 ppm1      8.151 ppm2      1.850 CV     1
 ASSI {  503}
   (( segid " 1SG" and resid 87   and name HN  ))
   (  segid " 1SG" and resid 87   and name HD% )
      2.600     0.800     0.800 peak   503 spectrum    1 weight  0.10000E+01 volume  0.21552E-02 ppm1      9.115 ppm2      6.800 CV     1
 ASSI {  504}
   (( segid " 1SG" and resid 61   and name HN  ))
   (( segid " 1SG" and resid 60   and name HB2 ))
      3.700     1.700     1.700 peak   504 spectrum    1 weight  0.10000E+01 volume  0.21471E-02 ppm1      8.180 ppm2      2.991 CV     1
 ASSI {  506}
   (( segid " 1SG" and resid 82   and name HN  ))
   (  segid " 1SG" and resid 82   and name HB% )
      3.300     1.300     1.300 peak   506 spectrum    1 weight  0.10000E+01 volume  0.21318E-02 ppm1      8.017 ppm2      1.312 CV     1
 ASSI {  508}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 96   and name HB2 ))
      3.800     1.800     1.800 peak   508 spectrum    1 weight  0.10000E+01 volume  0.21230E-02 ppm1      8.059 ppm2      1.560 CV     1
 ASSI {  509}
   (( segid " 1SG" and resid 80   and name HE21))
   (( segid " 1SG" and resid 80   and name HB1 ))
      3.000     1.100     1.100 peak   509 spectrum    1 weight  0.10000E+01 volume  0.21196E-02 ppm1      6.985 ppm2      1.949 CV     1
 OR {  509}
   (( segid " 1SG" and resid 80   and name HE21))
   (( segid " 1SG" and resid 80   and name HB2 ))
 ASSI {  510}
   (( segid " 1SG" and resid 85   and name HN  ))
   (( segid " 1SG" and resid 85   and name HA1 ))
      2.800     1.000     1.000 peak   510 spectrum    1 weight  0.10000E+01 volume  0.21099E-02 ppm1      9.407 ppm2      3.930 CV     1
 ASSI {  511}
   (( segid " 1SG" and resid 12   and name HN  ))
   (( segid " 1SG" and resid 12   and name HB2 ))
      2.900     1.000     1.000 peak   511 spectrum    1 weight  0.10000E+01 volume  0.20991E-02 ppm1      8.347 ppm2      1.969 CV     1
 ASSI {  512}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 102  and name HB2 ))
      3.400     1.400     1.400 peak   512 spectrum    1 weight  0.10000E+01 volume  0.20990E-02 ppm1      9.242 ppm2      2.724 CV     1
 ASSI {  515}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 20   and name HN  ))
      3.200     1.300     1.300 peak   515 spectrum    1 weight  0.10000E+01 volume  0.20917E-02 ppm1      8.972 ppm2      8.828 CV     1
 ASSI {  516}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 8    and name HB  ))
      2.900     1.100     1.100 peak   516 spectrum    1 weight  0.10000E+01 volume  0.20825E-02 ppm1      7.887 ppm2      1.807 CV     1
 ASSI {  518}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 87   and name HA  ))
      2.700     0.900     0.900 peak   518 spectrum    1 weight  0.10000E+01 volume  0.20758E-02 ppm1      9.108 ppm2      4.962 CV     1
 ASSI {  522}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB1 ))
      3.600     1.600     1.600 peak   522 spectrum    1 weight  0.10000E+01 volume  0.20594E-02 ppm1      8.381 ppm2      2.395 CV     1
 OR {  522}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB2 ))
 ASSI {  526}
   (( segid " 1SG" and resid 29   and name HN  ))
   (( segid " 1SG" and resid 29   and name HA  ))
      2.900     1.000     1.000 peak   526 spectrum    1 weight  0.10000E+01 volume  0.20195E-02 ppm1      8.854 ppm2      4.390 CV     1
 ASSI {  527}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 49   and name HG  ))
      3.100     1.200     1.200 peak   527 spectrum    1 weight  0.10000E+01 volume  0.20113E-02 ppm1      9.289 ppm2      0.785 CV     1
 ASSI {  530}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 54   and name HA2 ))
      3.300     1.300     1.300 peak   530 spectrum    1 weight  0.10000E+01 volume  0.19975E-02 ppm1      9.019 ppm2      4.291 CV     1
 ASSI {  531}
   (( segid " 1SG" and resid 19   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      3.300     1.400     1.400 peak   531 spectrum    1 weight  0.10000E+01 volume  0.19836E-02 ppm1      9.828 ppm2      1.174 CV     1
 ASSI {  532}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 60   and name HB2 ))
      2.900     1.100     1.100 peak   532 spectrum    1 weight  0.10000E+01 volume  0.19817E-02 ppm1      8.687 ppm2      2.990 CV     1
 ASSI {  533}
   (( segid " 1SG" and resid 5    and name HN  ))
   (( segid " 1SG" and resid 4    and name HB  ))
      2.700     0.900     0.900 peak   533 spectrum    1 weight  0.10000E+01 volume  0.19726E-02 ppm1      8.144 ppm2      2.029 CV     1
 ASSI {  534}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 71   and name HN  ))
      3.000     1.100     1.100 peak   534 spectrum    1 weight  0.10000E+01 volume  0.19708E-02 ppm1      8.848 ppm2      8.722 CV     1
 ASSI {  535}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 105  and name HB  ))
      2.900     1.100     1.100 peak   535 spectrum    1 weight  0.10000E+01 volume  0.19615E-02 ppm1      8.398 ppm2      3.929 CV     1
 ASSI {  537}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 58   and name HA  ))
      2.800     1.000     1.000 peak   537 spectrum    1 weight  0.10000E+01 volume  0.19594E-02 ppm1      8.940 ppm2      4.631 CV     1
 ASSI {  539}
   (( segid " 1SG" and resid 28   and name HN  ))
   (  segid " 1SG" and resid 28   and name HG2%)
      3.000     1.100     1.100 peak   539 spectrum    1 weight  0.10000E+01 volume  0.19525E-02 ppm1      9.673 ppm2      0.631 CV     1
 ASSI {  540}
   (( segid " 1SG" and resid 48   and name HN  ))
   (( segid " 1SG" and resid 48   and name HA  ))
      2.900     1.100     1.100 peak   540 spectrum    1 weight  0.10000E+01 volume  0.19457E-02 ppm1      8.396 ppm2      4.191 CV     1
 ASSI {  541}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 40   and name HB2 ))
      3.700     1.700     1.700 peak   541 spectrum    1 weight  0.10000E+01 volume  0.19441E-02 ppm1      8.694 ppm2      1.340 CV     1
 ASSI {  542}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 59   and name HA  ))
      2.800     1.000     1.000 peak   542 spectrum    1 weight  0.10000E+01 volume  0.19426E-02 ppm1      8.380 ppm2      5.185 CV     1
 ASSI {  544}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 16   and name HN  ))
      3.300     1.300     1.300 peak   544 spectrum    1 weight  0.10000E+01 volume  0.19317E-02 ppm1      8.823 ppm2      8.584 CV     1
 ASSI {  545}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 93   and name HN  ))
      2.800     1.000     1.000 peak   545 spectrum    1 weight  0.10000E+01 volume  0.19303E-02 ppm1      7.548 ppm2      8.557 CV     1
 ASSI {  546}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 71   and name HB2 ))
      3.300     1.300     1.300 peak   546 spectrum    1 weight  0.10000E+01 volume  0.19250E-02 ppm1      8.723 ppm2      1.271 CV     1
 ASSI {  548}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 58   and name HG2 ))
      4.400     2.400     1.600 peak   548 spectrum    1 weight  0.10000E+01 volume  0.19182E-02 ppm1      8.378 ppm2      1.797 CV     1
 ASSI {  549}
   (( segid " 1SG" and resid 91   and name HN  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      3.800     1.800     1.800 peak   549 spectrum    1 weight  0.10000E+01 volume  0.19182E-02 ppm1      8.474 ppm2      0.179 CV     1
 ASSI {  550}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 14   and name HA2 ))
      2.800     1.000     1.000 peak   550 spectrum    1 weight  0.10000E+01 volume  0.19137E-02 ppm1      9.184 ppm2      4.939 CV     1
 ASSI {  551}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 40   and name HB2 ))
      3.400     1.400     1.400 peak   551 spectrum    1 weight  0.10000E+01 volume  0.19100E-02 ppm1      9.309 ppm2      1.344 CV     1
 ASSI {  554}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 88   and name HA  ))
      2.800     1.000     1.000 peak   554 spectrum    1 weight  0.10000E+01 volume  0.19008E-02 ppm1      8.977 ppm2      5.305 CV     1
 ASSI {  555}
   (( segid " 1SG" and resid 59   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD1%)
      4.100     2.100     1.900 peak   555 spectrum    1 weight  0.10000E+01 volume  0.18971E-02 ppm1      8.380 ppm2      0.859 CV     1
 ASSI {  558}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 49   and name HN  ))
      2.900     1.000     1.000 peak   558 spectrum    1 weight  0.10000E+01 volume  0.18806E-02 ppm1      8.941 ppm2      9.293 CV     1
 ASSI {  559}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 47   and name HB  ))
      3.400     1.500     1.500 peak   559 spectrum    1 weight  0.10000E+01 volume  0.18784E-02 ppm1      8.633 ppm2      2.501 CV     1
 ASSI {  560}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 92   and name HB1 ))
      3.100     1.200     1.200 peak   560 spectrum    1 weight  0.10000E+01 volume  0.18727E-02 ppm1      8.734 ppm2      3.936 CV     1
 OR {  560}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 92   and name HB2 ))
 ASSI {  561}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 96   and name HB2 ))
      2.500     0.800     0.800 peak   561 spectrum    1 weight  0.10000E+01 volume  0.18673E-02 ppm1      7.548 ppm2      1.566 CV     1
 ASSI {  563}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 64   and name HA  ))
      3.800     1.800     1.800 peak   563 spectrum    1 weight  0.10000E+01 volume  0.18576E-02 ppm1      8.107 ppm2      4.573 CV     1
 ASSI {  564}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 39   and name HA  ))
      2.900     1.000     1.000 peak   564 spectrum    1 weight  0.10000E+01 volume  0.18546E-02 ppm1      7.892 ppm2      4.799 CV     1
 ASSI {  565}
   (( segid " 1SG" and resid 72   and name HN  ))
   (  segid " 1SG" and resid 72   and name HD% )
      2.800     1.000     1.000 peak   565 spectrum    1 weight  0.10000E+01 volume  0.18535E-02 ppm1      9.296 ppm2      7.306 CV     1
 ASSI {  566}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 14   and name HA1 ))
      3.000     1.100     1.100 peak   566 spectrum    1 weight  0.10000E+01 volume  0.18445E-02 ppm1      9.184 ppm2      3.743 CV     1
 ASSI {  567}
   (( segid " 1SG" and resid 77   and name HN  ))
   (( segid " 1SG" and resid 77   and name HA  ))
      2.800     1.000     1.000 peak   567 spectrum    1 weight  0.10000E+01 volume  0.18444E-02 ppm1      8.715 ppm2      4.655 CV     1
 ASSI {  570}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 87   and name HA  ))
      3.100     1.200     1.200 peak   570 spectrum    1 weight  0.10000E+01 volume  0.18158E-02 ppm1      8.211 ppm2      4.972 CV     1
 ASSI {  571}
   (( segid " 1SG" and resid 30   and name HN  ))
   (( segid " 1SG" and resid 30   and name HA2 ))
      3.300     1.300     1.300 peak   571 spectrum    1 weight  0.10000E+01 volume  0.18138E-02 ppm1      8.590 ppm2      4.673 CV     1
 ASSI {  573}
   (( segid " 1SG" and resid 108  and name HN  ))
   (  segid " 1SG" and resid 18   and name HG2%)
      3.600     1.600     1.600 peak   573 spectrum    1 weight  0.10000E+01 volume  0.17909E-02 ppm1      8.565 ppm2      0.943 CV     1
 ASSI {  574}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 13   and name HB2 ))
      2.300     0.700     0.700 peak   574 spectrum    1 weight  0.10000E+01 volume  0.17894E-02 ppm1      9.184 ppm2      2.684 CV     1
 ASSI {  575}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 75   and name HB2 ))
      3.200     1.300     1.300 peak   575 spectrum    1 weight  0.10000E+01 volume  0.17889E-02 ppm1      8.941 ppm2      2.888 CV     1
 OR {  575}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 75   and name HB1 ))
 ASSI {  576}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 77   and name HA  ))
      2.900     1.100     1.100 peak   576 spectrum    1 weight  0.10000E+01 volume  0.17795E-02 ppm1      8.887 ppm2      4.655 CV     1
 ASSI {  578}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 40   and name HA  ))
      2.900     1.100     1.100 peak   578 spectrum    1 weight  0.10000E+01 volume  0.17790E-02 ppm1      8.696 ppm2      4.547 CV     1
 ASSI {  579}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 65   and name HA  ))
      3.300     1.400     1.400 peak   579 spectrum    1 weight  0.10000E+01 volume  0.17770E-02 ppm1      8.106 ppm2      3.452 CV     1
 ASSI {  581}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 84   and name HA  ))
      3.100     1.200     1.200 peak   581 spectrum    1 weight  0.10000E+01 volume  0.17591E-02 ppm1      8.151 ppm2      4.228 CV     1
 ASSI {  582}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 56   and name HN  ))
      2.900     1.100     1.100 peak   582 spectrum    1 weight  0.10000E+01 volume  0.17588E-02 ppm1      7.199 ppm2      8.391 CV     1
 ASSI {  584}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 96   and name HG1 ))
      4.000     2.000     2.000 peak   584 spectrum    1 weight  0.10000E+01 volume  0.17575E-02 ppm1      8.062 ppm2      1.318 CV     1
 OR {  584}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 96   and name HG2 ))
 ASSI {  585}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HB2 ))
      3.100     1.200     1.200 peak   585 spectrum    1 weight  0.10000E+01 volume  0.17550E-02 ppm1      8.888 ppm2      1.573 CV     1
 OR {  585}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HB1 ))
 ASSI {  587}
   (( segid " 1SG" and resid 79   and name HN  ))
   (  segid " 1SG" and resid 76   and name HG2%)
      3.300     1.400     1.400 peak   587 spectrum    1 weight  0.10000E+01 volume  0.17480E-02 ppm1      8.974 ppm2      0.787 CV     1
 ASSI {  590}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 53   and name HA  ))
      3.700     1.700     1.700 peak   590 spectrum    1 weight  0.10000E+01 volume  0.17256E-02 ppm1      7.198 ppm2      4.042 CV     1
 ASSI {  592}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 94   and name HA  ))
      3.100     1.200     1.200 peak   592 spectrum    1 weight  0.10000E+01 volume  0.17227E-02 ppm1      7.971 ppm2      4.045 CV     1
 ASSI {  593}
   (( segid " 1SG" and resid 63   and name HN  ))
   (( segid " 1SG" and resid 63   and name HB2 ))
      3.600     1.600     1.600 peak   593 spectrum    1 weight  0.10000E+01 volume  0.17217E-02 ppm1      8.518 ppm2      2.529 CV     1
 ASSI {  595}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 76   and name HB  ))
      3.400     1.500     1.500 peak   595 spectrum    1 weight  0.10000E+01 volume  0.17101E-02 ppm1      8.888 ppm2      1.901 CV     1
 ASSI {  596}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 104  and name HA  ))
      2.900     1.000     1.000 peak   596 spectrum    1 weight  0.10000E+01 volume  0.17082E-02 ppm1      9.184 ppm2      5.418 CV     1
 ASSI {  597}
   (( segid " 1SG" and resid 18   and name HN  ))
   (( segid " 1SG" and resid 108  and name HA  ))
      3.300     1.300     1.300 peak   597 spectrum    1 weight  0.10000E+01 volume  0.17082E-02 ppm1      8.006 ppm2      4.146 CV     1
 ASSI {  599}
   (( segid " 1SG" and resid 80   and name HN  ))
   (( segid " 1SG" and resid 79   and name HA  ))
      2.900     1.000     1.000 peak   599 spectrum    1 weight  0.10000E+01 volume  0.16942E-02 ppm1      5.579 ppm2      3.659 CV     1
 ASSI {  601}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      4.000     2.000     2.000 peak   601 spectrum    1 weight  0.10000E+01 volume  0.16827E-02 ppm1      9.018 ppm2      1.461 CV     1
 ASSI {  603}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 38   and name HN  ))
      3.000     1.100     1.100 peak   603 spectrum    1 weight  0.10000E+01 volume  0.16740E-02 ppm1      8.735 ppm2      8.378 CV     1
 ASSI {  604}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 46   and name HN  ))
      2.400     0.700     0.700 peak   604 spectrum    1 weight  0.10000E+01 volume  0.16724E-02 ppm1      7.293 ppm2      8.221 CV     1
 ASSI {  608}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 78   and name HB2 ))
      3.300     1.400     1.400 peak   608 spectrum    1 weight  0.10000E+01 volume  0.16573E-02 ppm1      8.054 ppm2      2.374 CV     1
 ASSI {  611}
   (( segid " 1SG" and resid 23   and name HN  ))
   (  segid " 1SG" and resid 23   and name HG2%)
      3.900     1.900     1.900 peak   611 spectrum    1 weight  0.10000E+01 volume  0.16493E-02 ppm1      7.914 ppm2      0.771 CV     1
 ASSI {  612}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 28   and name HB  ))
      3.000     1.200     1.200 peak   612 spectrum    1 weight  0.10000E+01 volume  0.16420E-02 ppm1      9.674 ppm2      1.955 CV     1
 ASSI {  613}
   (( segid " 1SG" and resid 107  and name HN  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      3.600     1.600     1.600 peak   613 spectrum    1 weight  0.10000E+01 volume  0.16399E-02 ppm1      8.823 ppm2      0.606 CV     1
 ASSI {  614}
   (( segid " 1SG" and resid 17   and name HN  ))
   (( segid " 1SG" and resid 18   and name HN  ))
      3.800     1.800     1.800 peak   614 spectrum    1 weight  0.10000E+01 volume  0.16343E-02 ppm1      7.899 ppm2      7.995 CV     1
 ASSI {  620}
   (( segid " 1SG" and resid 107  and name HN  ))
   (  segid " 1SG" and resid 106  and name HG1%)
      4.000     2.000     2.000 peak   620 spectrum    1 weight  0.10000E+01 volume  0.15927E-02 ppm1      8.823 ppm2      0.675 CV     1
 ASSI {  622}
   (( segid " 1SG" and resid 61   and name HN  ))
   (( segid " 1SG" and resid 61   and name HB2 ))
      3.400     1.400     1.400 peak   622 spectrum    1 weight  0.10000E+01 volume  0.15822E-02 ppm1      8.177 ppm2      2.298 CV     1
 ASSI {  623}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 58   and name HG2 ))
      3.400     1.400     1.400 peak   623 spectrum    1 weight  0.10000E+01 volume  0.15817E-02 ppm1      8.941 ppm2      1.805 CV     1
 ASSI {  626}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 92   and name HA  ))
      3.100     1.200     1.200 peak   626 spectrum    1 weight  0.10000E+01 volume  0.15780E-02 ppm1      8.735 ppm2      5.242 CV     1
 ASSI {  630}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 16   and name HB  ))
      3.700     1.700     1.700 peak   630 spectrum    1 weight  0.10000E+01 volume  0.15621E-02 ppm1      8.594 ppm2      1.795 CV     1
 ASSI {  631}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 97   and name HA  ))
      3.200     1.200     1.200 peak   631 spectrum    1 weight  0.10000E+01 volume  0.15620E-02 ppm1      8.062 ppm2      5.253 CV     1
 ASSI {  632}
   (( segid " 1SG" and resid 58   and name HE22))
   (( segid " 1SG" and resid 76   and name HG12))
      4.000     2.000     2.000 peak   632 spectrum    1 weight  0.10000E+01 volume  0.15605E-02 ppm1      6.684 ppm2      1.101 CV     1
 ASSI {  635}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB2 ))
      3.100     1.200     1.200 peak   635 spectrum    1 weight  0.10000E+01 volume  0.15532E-02 ppm1      8.944 ppm2      2.395 CV     1
 OR {  635}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB1 ))
 ASSI {  636}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 25   and name HB2 ))
      3.300     1.400     1.400 peak   636 spectrum    1 weight  0.10000E+01 volume  0.15472E-02 ppm1      8.404 ppm2      3.599 CV     1
 ASSI {  637}
   (( segid " 1SG" and resid 7    and name HN  ))
   (  segid " 1SG" and resid 7    and name HD% )
      3.900     1.900     1.900 peak   637 spectrum    1 weight  0.10000E+01 volume  0.15428E-02 ppm1      8.878 ppm2      7.307 CV     1
 ASSI {  638}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 75   and name HA  ))
      3.100     1.200     1.200 peak   638 spectrum    1 weight  0.10000E+01 volume  0.15410E-02 ppm1      9.154 ppm2      5.086 CV     1
 ASSI {  642}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 35   and name HD2 ))
      3.300     1.400     1.400 peak   642 spectrum    1 weight  0.10000E+01 volume  0.15283E-02 ppm1      8.373 ppm2      1.622 CV     1
 OR {  642}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 35   and name HD1 ))
 ASSI {  643}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 75   and name HN  ))
      2.900     1.100     1.100 peak   643 spectrum    1 weight  0.10000E+01 volume  0.15270E-02 ppm1      8.939 ppm2      9.154 CV     1
 ASSI {  644}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 19   and name HN  ))
      3.200     1.300     1.300 peak   644 spectrum    1 weight  0.10000E+01 volume  0.15102E-02 ppm1      8.973 ppm2      9.828 CV     1
 ASSI {  645}
   (( segid " 1SG" and resid 59   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD2%)
      3.800     1.800     1.800 peak   645 spectrum    1 weight  0.10000E+01 volume  0.15072E-02 ppm1      8.381 ppm2      0.692 CV     1
 ASSI {  646}
   (( segid " 1SG" and resid 5    and name HN  ))
   (( segid " 1SG" and resid 4    and name HA  ))
      3.400     1.400     1.400 peak   646 spectrum    1 weight  0.10000E+01 volume  0.15040E-02 ppm1      8.144 ppm2      4.009 CV     1
 ASSI {  647}
   (( segid " 1SG" and resid 77   and name HN  ))
   (( segid " 1SG" and resid 57   and name HA  ))
      4.000     2.000     2.000 peak   647 spectrum    1 weight  0.10000E+01 volume  0.15028E-02 ppm1      8.715 ppm2      5.396 CV     1
 ASSI {  649}
   (( segid " 1SG" and resid 80   and name HE22))
   (( segid " 1SG" and resid 80   and name HB1 ))
      4.000     2.000     2.000 peak   649 spectrum    1 weight  0.10000E+01 volume  0.14968E-02 ppm1      6.645 ppm2      1.953 CV     1
 OR {  649}
   (( segid " 1SG" and resid 80   and name HE22))
   (( segid " 1SG" and resid 80   and name HB2 ))
 ASSI {  651}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 94   and name HB2 ))
      2.700     0.900     0.900 peak   651 spectrum    1 weight  0.10000E+01 volume  0.14858E-02 ppm1      7.971 ppm2      1.782 CV     1
 ASSI {  652}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 11   and name HA  ))
      3.300     1.400     1.400 peak   652 spectrum    1 weight  0.10000E+01 volume  0.14796E-02 ppm1      8.398 ppm2      4.795 CV     1
 ASSI {  653}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 64   and name HB2 ))
      3.400     1.500     1.500 peak   653 spectrum    1 weight  0.10000E+01 volume  0.14757E-02 ppm1      6.898 ppm2      2.337 CV     1
 ASSI {  654}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 59   and name HG  ))
      4.000     2.000     2.000 peak   654 spectrum    1 weight  0.10000E+01 volume  0.14739E-02 ppm1      8.699 ppm2      1.425 CV     1
 ASSI {  655}
   (( segid " 1SG" and resid 7    and name HN  ))
   (( segid " 1SG" and resid 6    and name HG  ))
      3.600     1.600     1.600 peak   655 spectrum    1 weight  0.10000E+01 volume  0.14723E-02 ppm1      8.878 ppm2      1.313 CV     1
 ASSI {  656}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 68   and name HA  ))
      4.600     2.700     1.400 peak   656 spectrum    1 weight  0.10000E+01 volume  0.14699E-02 ppm1      7.420 ppm2      3.594 CV     1
 ASSI {  658}
   (( segid " 1SG" and resid 26   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD1%)
      3.200     1.300     1.300 peak   658 spectrum    1 weight  0.10000E+01 volume  0.14689E-02 ppm1      9.497 ppm2      0.841 CV     1
 ASSI {  659}
   (( segid " 1SG" and resid 103  and name HD22))
   (( segid " 1SG" and resid 103  and name HB2 ))
      4.200     2.200     1.800 peak   659 spectrum    1 weight  0.10000E+01 volume  0.14666E-02 ppm1      6.747 ppm2      2.501 CV     1
 ASSI {  660}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 24   and name HB2 ))
      3.800     1.800     1.800 peak   660 spectrum    1 weight  0.10000E+01 volume  0.14659E-02 ppm1      8.399 ppm2      2.394 CV     1
 ASSI {  661}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 45   and name HD2 ))
      3.600     1.600     1.600 peak   661 spectrum    1 weight  0.10000E+01 volume  0.14628E-02 ppm1     10.113 ppm2      1.215 CV     1
 OR {  661}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 45   and name HD1 ))
 ASSI {  662}
   (( segid " 1SG" and resid 34   and name HN  ))
   (( segid " 1SG" and resid 93   and name HA  ))
      4.000     2.000     2.000 peak   662 spectrum    1 weight  0.10000E+01 volume  0.14584E-02 ppm1      8.673 ppm2      4.763 CV     1
 ASSI {  663}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 73   and name HN  ))
      3.100     1.200     1.200 peak   663 spectrum    1 weight  0.10000E+01 volume  0.14559E-02 ppm1      8.686 ppm2      9.449 CV     1
 ASSI {  664}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 61   and name HA  ))
      3.700     1.700     1.700 peak   664 spectrum    1 weight  0.10000E+01 volume  0.14552E-02 ppm1      9.450 ppm2      5.557 CV     1
 ASSI {  665}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 24   and name HA  ))
      3.100     1.200     1.200 peak   665 spectrum    1 weight  0.10000E+01 volume  0.14551E-02 ppm1      9.240 ppm2      4.615 CV     1
 ASSI {  666}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 27   and name HB1 ))
      3.200     1.300     1.300 peak   666 spectrum    1 weight  0.10000E+01 volume  0.14430E-02 ppm1      9.672 ppm2      1.578 CV     1
 OR {  666}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 27   and name HB2 ))
 ASSI {  667}
   (( segid " 1SG" and resid 104  and name HN  ))
   (  segid " 1SG" and resid 87   and name HD% )
      3.200     1.300     1.300 peak   667 spectrum    1 weight  0.10000E+01 volume  0.14418E-02 ppm1      8.792 ppm2      6.806 CV     1
 ASSI {  668}
   (( segid " 1SG" and resid 26   and name HN  ))
   (( segid " 1SG" and resid 25   and name HB2 ))
      3.700     1.700     1.700 peak   668 spectrum    1 weight  0.10000E+01 volume  0.14374E-02 ppm1      9.497 ppm2      3.598 CV     1
 ASSI {  669}
   (( segid " 1SG" and resid 58   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
      3.400     1.400     1.400 peak   669 spectrum    1 weight  0.10000E+01 volume  0.14371E-02 ppm1      8.941 ppm2      0.604 CV     1
 OR {  669}
   (( segid " 1SG" and resid 58   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI {  670}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 3    and name HD2 ))
      4.000     2.000     2.000 peak   670 spectrum    1 weight  0.10000E+01 volume  0.14291E-02 ppm1      8.118 ppm2      3.845 CV     1
 OR {  670}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 3    and name HD1 ))
 ASSI {  672}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 93   and name HA  ))
      3.400     1.400     1.400 peak   672 spectrum    1 weight  0.10000E+01 volume  0.14253E-02 ppm1      8.375 ppm2      4.772 CV     1
 ASSI {  673}
   (( segid " 1SG" and resid 25   and name HN  ))
   (  segid " 1SG" and resid 24   and name HD% )
      4.000     2.000     2.000 peak   673 spectrum    1 weight  0.10000E+01 volume  0.14235E-02 ppm1      8.400 ppm2      6.932 CV     1
 ASSI {  676}
   (( segid " 1SG" and resid 68   and name HN  ))
   (( segid " 1SG" and resid 67   and name HA  ))
      3.400     1.500     1.500 peak   676 spectrum    1 weight  0.10000E+01 volume  0.14170E-02 ppm1      7.874 ppm2      4.297 CV     1
 ASSI {  678}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 107  and name HD2 ))
      3.300     1.300     1.300 peak   678 spectrum    1 weight  0.10000E+01 volume  0.14148E-02 ppm1      8.821 ppm2      6.922 CV     1
 ASSI {  679}
   (( segid " 1SG" and resid 8    and name HN  ))
   (( segid " 1SG" and resid 8    and name HB  ))
      3.200     1.300     1.300 peak   679 spectrum    1 weight  0.10000E+01 volume  0.14115E-02 ppm1      9.052 ppm2      1.821 CV     1
 ASSI {  680}
   (( segid " 1SG" and resid 77   and name HN  ))
   (( segid " 1SG" and resid 77   and name HB  ))
      3.600     1.600     1.600 peak   680 spectrum    1 weight  0.10000E+01 volume  0.14105E-02 ppm1      8.717 ppm2      4.008 CV     1
 ASSI {  681}
   (( segid " 1SG" and resid 23   and name HN  ))
   (( segid " 1SG" and resid 23   and name HA  ))
      3.000     1.100     1.100 peak   681 spectrum    1 weight  0.10000E+01 volume  0.14083E-02 ppm1      7.913 ppm2      5.100 CV     1
 ASSI {  682}
   (( segid " 1SG" and resid 100  and name HN  ))
   (( segid " 1SG" and resid 90   and name HA  ))
      3.800     1.800     1.800 peak   682 spectrum    1 weight  0.10000E+01 volume  0.14070E-02 ppm1      8.897 ppm2      4.788 CV     1
 ASSI {  683}
   (( segid " 1SG" and resid 76   and name HN  ))
   (( segid " 1SG" and resid 75   and name HB1 ))
      4.000     2.000     2.000 peak   683 spectrum    1 weight  0.10000E+01 volume  0.14053E-02 ppm1      8.925 ppm2      2.891 CV     1
 OR {  683}
   (( segid " 1SG" and resid 76   and name HN  ))
   (( segid " 1SG" and resid 75   and name HB2 ))
 ASSI {  684}
   (( segid " 1SG" and resid 102  and name HN  ))
   (( segid " 1SG" and resid 102  and name HA  ))
      3.200     1.300     1.300 peak   684 spectrum    1 weight  0.10000E+01 volume  0.14041E-02 ppm1      8.557 ppm2      4.989 CV     1
 ASSI {  686}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 49   and name HB2 ))
      3.800     1.900     1.900 peak   686 spectrum    1 weight  0.10000E+01 volume  0.14023E-02 ppm1      7.786 ppm2      1.548 CV     1
 ASSI {  690}
   (( segid " 1SG" and resid 64   and name HN  ))
   (( segid " 1SG" and resid 69   and name HN  ))
      3.200     1.300     1.300 peak   690 spectrum    1 weight  0.10000E+01 volume  0.13913E-02 ppm1      7.751 ppm2      6.898 CV     1
 ASSI {  691}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 33   and name HA  ))
      4.200     2.200     1.800 peak   691 spectrum    1 weight  0.10000E+01 volume  0.13905E-02 ppm1      7.509 ppm2      4.450 CV     1
 ASSI {  694}
   (( segid " 1SG" and resid 74   and name HN  ))
   (  segid " 1SG" and resid 23   and name HG2%)
      3.400     1.400     1.400 peak   694 spectrum    1 weight  0.10000E+01 volume  0.13846E-02 ppm1      8.470 ppm2      0.765 CV     1
 ASSI {  696}
   (( segid " 1SG" and resid 68   and name HN  ))
   (( segid " 1SG" and resid 65   and name HA  ))
      3.100     1.200     1.200 peak   696 spectrum    1 weight  0.10000E+01 volume  0.13782E-02 ppm1      7.878 ppm2      3.451 CV     1
 ASSI {  698}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 45   and name HB2 ))
      3.400     1.400     1.400 peak   698 spectrum    1 weight  0.10000E+01 volume  0.13697E-02 ppm1     10.115 ppm2      0.595 CV     1
 OR {  698}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 45   and name HG2 ))
 ASSI {  699}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 38   and name HB  ))
      4.100     2.100     1.900 peak   699 spectrum    1 weight  0.10000E+01 volume  0.13663E-02 ppm1      7.893 ppm2      1.891 CV     1
 ASSI {  700}
   (( segid " 1SG" and resid 26   and name HN  ))
   (( segid " 1SG" and resid 26   and name HA  ))
      3.200     1.300     1.300 peak   700 spectrum    1 weight  0.10000E+01 volume  0.13632E-02 ppm1      9.494 ppm2      4.916 CV     1
 ASSI {  701}
   (( segid " 1SG" and resid 106  and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      4.100     2.100     1.900 peak   701 spectrum    1 weight  0.10000E+01 volume  0.13627E-02 ppm1      8.148 ppm2      0.372 CV     1
 ASSI {  702}
   (( segid " 1SG" and resid 50   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD1%)
      3.600     1.600     1.600 peak   702 spectrum    1 weight  0.10000E+01 volume  0.13625E-02 ppm1      8.941 ppm2      0.855 CV     1
 ASSI {  703}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 21   and name HA  ))
      2.800     1.000     1.000 peak   703 spectrum    1 weight  0.10000E+01 volume  0.13624E-02 ppm1      8.053 ppm2      5.494 CV     1
 ASSI {  704}
   (( segid " 1SG" and resid 38   and name HN  ))
   (  segid " 1SG" and resid 93   and name HG2%)
      4.300     2.300     1.700 peak   704 spectrum    1 weight  0.10000E+01 volume  0.13604E-02 ppm1      8.372 ppm2      1.022 CV     1
 ASSI {  706}
   (( segid " 1SG" and resid 87   and name HN  ))
   (( segid " 1SG" and resid 103  and name HA  ))
      3.200     1.300     1.300 peak   706 spectrum    1 weight  0.10000E+01 volume  0.13583E-02 ppm1      9.115 ppm2      5.535 CV     1
 ASSI {  707}
   (( segid " 1SG" and resid 33   and name HN  ))
   (( segid " 1SG" and resid 33   and name HB2 ))
      3.700     1.700     1.700 peak   707 spectrum    1 weight  0.10000E+01 volume  0.13558E-02 ppm1      7.611 ppm2      1.718 CV     1
 ASSI {  708}
   (( segid " 1SG" and resid 71   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD2%)
      4.300     2.400     1.700 peak   708 spectrum    1 weight  0.10000E+01 volume  0.13542E-02 ppm1      8.723 ppm2      0.733 CV     1
 ASSI {  709}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 27   and name HB2 ))
      3.300     1.400     1.400 peak   709 spectrum    1 weight  0.10000E+01 volume  0.13534E-02 ppm1      7.888 ppm2      1.570 CV     1
 OR {  709}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 27   and name HB1 ))
 ASSI {  710}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 72   and name HA  ))
      3.600     1.700     1.700 peak   710 spectrum    1 weight  0.10000E+01 volume  0.13501E-02 ppm1      8.849 ppm2      5.367 CV     1
 ASSI {  711}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 24   and name HB2 ))
      3.000     1.200     1.200 peak   711 spectrum    1 weight  0.10000E+01 volume  0.13487E-02 ppm1      9.240 ppm2      2.394 CV     1
 ASSI {  712}
   (( segid " 1SG" and resid 19   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      4.000     2.000     2.000 peak   712 spectrum    1 weight  0.10000E+01 volume  0.13466E-02 ppm1      9.827 ppm2      0.372 CV     1
 ASSI {  713}
   (( segid " 1SG" and resid 72   and name HN  ))
   (( segid " 1SG" and resid 72   and name HB2 ))
      2.800     1.000     1.000 peak   713 spectrum    1 weight  0.10000E+01 volume  0.13452E-02 ppm1      9.295 ppm2      2.892 CV     1
 ASSI {  715}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 49   and name HA  ))
      3.300     1.300     1.300 peak   715 spectrum    1 weight  0.10000E+01 volume  0.13447E-02 ppm1      8.940 ppm2      3.867 CV     1
 ASSI {  716}
   (( segid " 1SG" and resid 42   and name HN  ))
   (  segid " 1SG" and resid 42   and name HD% )
      4.200     2.200     1.800 peak   716 spectrum    1 weight  0.10000E+01 volume  0.13442E-02 ppm1      9.448 ppm2      6.695 CV     1
 ASSI {  718}
   (( segid " 1SG" and resid 85   and name HN  ))
   (( segid " 1SG" and resid 104  and name HN  ))
      3.200     1.300     1.300 peak   718 spectrum    1 weight  0.10000E+01 volume  0.13408E-02 ppm1      9.408 ppm2      8.792 CV     1
 ASSI {  720}
   (( segid " 1SG" and resid 54   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
      3.800     1.800     1.800 peak   720 spectrum    1 weight  0.10000E+01 volume  0.13322E-02 ppm1      9.023 ppm2      0.598 CV     1
 OR {  720}
   (( segid " 1SG" and resid 54   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI {  725}
   (( segid " 1SG" and resid 74   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD2%)
      3.300     1.400     1.400 peak   725 spectrum    1 weight  0.10000E+01 volume  0.13281E-02 ppm1      8.471 ppm2      0.409 CV     1
 OR {  725}
   (( segid " 1SG" and resid 74   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI {  728}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (  segid " 1SG" and resid 72   and name HD% )
      3.200     1.300     1.300 peak   728 spectrum    1 weight  0.10000E+01 volume  0.13152E-02 ppm1     10.780 ppm2      7.306 CV     1
 ASSI {  729}
   (( segid " 1SG" and resid 44   and name HN  ))
   (  segid " 1SG" and resid 47   and name HG1%)
      4.400     2.400     1.600 peak   729 spectrum    1 weight  0.10000E+01 volume  0.13108E-02 ppm1      8.212 ppm2      0.992 CV     1
 ASSI {  730}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 107  and name HN  ))
      3.800     1.800     1.800 peak   730 spectrum    1 weight  0.10000E+01 volume  0.13070E-02 ppm1      8.563 ppm2      8.822 CV     1
 ASSI {  731}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (  segid " 1SG" and resid 59   and name HD1%)
      3.800     1.800     1.800 peak   731 spectrum    1 weight  0.10000E+01 volume  0.13063E-02 ppm1     10.780 ppm2      0.855 CV     1
 ASSI {  732}
   (( segid " 1SG" and resid 6    and name HN  ))
   (( segid " 1SG" and resid 7    and name HN  ))
      3.200     1.300     1.300 peak   732 spectrum    1 weight  0.10000E+01 volume  0.13046E-02 ppm1      8.450 ppm2      8.878 CV     1
 ASSI {  733}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 103  and name HB2 ))
      3.700     1.700     1.700 peak   733 spectrum    1 weight  0.10000E+01 volume  0.13034E-02 ppm1      8.794 ppm2      2.502 CV     1
 ASSI {  734}
   (( segid " 1SG" and resid 49   and name HN  ))
   (  segid " 1SG" and resid 49   and name HD2%)
      4.200     2.200     1.800 peak   734 spectrum    1 weight  0.10000E+01 volume  0.12951E-02 ppm1      9.288 ppm2      1.014 CV     1
 ASSI {  735}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (( segid " 1SG" and resid 72   and name HB2 ))
      3.300     1.400     1.400 peak   735 spectrum    1 weight  0.10000E+01 volume  0.12944E-02 ppm1     10.779 ppm2      2.895 CV     1
 ASSI {  736}
   (( segid " 1SG" and resid 19   and name HN  ))
   (( segid " 1SG" and resid 18   and name HB  ))
      4.000     2.000     2.000 peak   736 spectrum    1 weight  0.10000E+01 volume  0.12926E-02 ppm1      9.827 ppm2      1.919 CV     1
 ASSI {  737}
   (( segid " 1SG" and resid 63   and name HN  ))
   (  segid " 1SG" and resid 63   and name HD% )
      4.000     2.000     2.000 peak   737 spectrum    1 weight  0.10000E+01 volume  0.12872E-02 ppm1      8.518 ppm2      5.900 CV     1
 ASSI {  742}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 15   and name HG2 ))
      4.100     2.100     1.900 peak   742 spectrum    1 weight  0.10000E+01 volume  0.12769E-02 ppm1      8.593 ppm2      2.271 CV     1
 OR {  742}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 15   and name HG1 ))
 ASSI {  745}
   (( segid " 1SG" and resid 53   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
      3.300     1.400     1.400 peak   745 spectrum    1 weight  0.10000E+01 volume  0.12645E-02 ppm1      6.764 ppm2      0.597 CV     1
 OR {  745}
   (( segid " 1SG" and resid 53   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI {  746}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 3    and name HB2 ))
      4.200     2.200     1.800 peak   746 spectrum    1 weight  0.10000E+01 volume  0.12638E-02 ppm1      8.263 ppm2      2.285 CV     1
 OR {  746}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 3    and name HB1 ))
 ASSI {  747}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 49   and name HA  ))
      3.100     1.200     1.200 peak   747 spectrum    1 weight  0.10000E+01 volume  0.12629E-02 ppm1      7.785 ppm2      3.862 CV     1
 ASSI {  748}
   (( segid " 1SG" and resid 73   and name HN  ))
   (  segid " 1SG" and resid 72   and name HD% )
      2.700     2.700     3.300 peak   748 spectrum    1 weight  0.10000E+01 volume  0.12628E-02 ppm1      9.449 ppm2      7.306 CV     1
 ASSI {  751}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 18   and name HN  ))
      3.600     1.700     1.700 peak   751 spectrum    1 weight  0.10000E+01 volume  0.12584E-02 ppm1      8.821 ppm2      8.005 CV     1
 ASSI {  753}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 25   and name HA  ))
      3.100     1.200     1.200 peak   753 spectrum    1 weight  0.10000E+01 volume  0.12539E-02 ppm1      8.399 ppm2      5.688 CV     1
 ASSI {  754}
   (( segid " 1SG" and resid 31   and name HN  ))
   (( segid " 1SG" and resid 31   and name HA  ))
      3.100     1.200     1.200 peak   754 spectrum    1 weight  0.10000E+01 volume  0.12535E-02 ppm1      8.418 ppm2      4.164 CV     1
 ASSI {  755}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 22   and name HB  ))
      3.200     1.300     1.300 peak   755 spectrum    1 weight  0.10000E+01 volume  0.12524E-02 ppm1      8.887 ppm2      1.514 CV     1
 ASSI {  758}
   (( segid " 1SG" and resid 57   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
      3.800     1.800     1.800 peak   758 spectrum    1 weight  0.10000E+01 volume  0.12492E-02 ppm1      7.199 ppm2      0.601 CV     1
 OR {  758}
   (( segid " 1SG" and resid 57   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI {  759}
   (( segid " 1SG" and resid 83   and name HN  ))
   (  segid " 1SG" and resid 104  and name HD2%)
      4.200     2.200     1.800 peak   759 spectrum    1 weight  0.10000E+01 volume  0.12460E-02 ppm1      8.256 ppm2      0.808 CV     1
 ASSI {  760}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 9    and name HB2 ))
      3.900     1.900     1.900 peak   760 spectrum    1 weight  0.10000E+01 volume  0.12429E-02 ppm1      8.888 ppm2      1.892 CV     1
 ASSI {  762}
   (( segid " 1SG" and resid 68   and name HN  ))
   (  segid " 1SG" and resid 66   and name HB% )
      2.700     2.700     3.300 peak   762 spectrum    1 weight  0.10000E+01 volume  0.12346E-02 ppm1      7.875 ppm2      1.403 CV     1
 ASSI {  763}
   (( segid " 1SG" and resid 61   and name HN  ))
   (( segid " 1SG" and resid 60   and name HN  ))
      4.100     2.100     1.900 peak   763 spectrum    1 weight  0.10000E+01 volume  0.12334E-02 ppm1      8.177 ppm2      8.689 CV     1
 ASSI {  764}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 74   and name HB2 ))
      2.800     1.000     1.000 peak   764 spectrum    1 weight  0.10000E+01 volume  0.12310E-02 ppm1      8.470 ppm2     -0.840 CV     1
 ASSI {  765}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 8    and name HA  ))
      3.500     1.600     1.600 peak   765 spectrum    1 weight  0.10000E+01 volume  0.12309E-02 ppm1      7.888 ppm2      4.174 CV     1
 ASSI {  767}
   (( segid " 1SG" and resid 91   and name HN  ))
   (( segid " 1SG" and resid 91   and name HB  ))
      3.200     1.300     1.300 peak   767 spectrum    1 weight  0.10000E+01 volume  0.12241E-02 ppm1      8.474 ppm2      1.131 CV     1
 ASSI {  770}
   (( segid " 1SG" and resid 102  and name HN  ))
   (( segid " 1SG" and resid 88   and name HA  ))
      3.500     1.600     1.600 peak   770 spectrum    1 weight  0.10000E+01 volume  0.12159E-02 ppm1      8.557 ppm2      5.305 CV     1
 ASSI {  771}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 57   and name HG  ))
      4.100     2.100     1.900 peak   771 spectrum    1 weight  0.10000E+01 volume  0.12153E-02 ppm1      7.198 ppm2      0.750 CV     1
 ASSI {  772}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 73   and name HA  ))
      3.100     1.200     1.200 peak   772 spectrum    1 weight  0.10000E+01 volume  0.12151E-02 ppm1      9.448 ppm2      5.466 CV     1
 ASSI {  773}
   (( segid " 1SG" and resid 6    and name HN  ))
   (( segid " 1SG" and resid 6    and name HA  ))
      3.100     1.200     1.200 peak   773 spectrum    1 weight  0.10000E+01 volume  0.12135E-02 ppm1      8.450 ppm2      4.448 CV     1
 ASSI {  774}
   (( segid " 1SG" and resid 12   and name HE21))
   (( segid " 1SG" and resid 12   and name HA  ))
      3.000     1.100     1.100 peak   774 spectrum    1 weight  0.10000E+01 volume  0.12135E-02 ppm1      7.451 ppm2      4.687 CV     1
 ASSI {  775}
   (( segid " 1SG" and resid 10   and name HN  ))
   (( segid " 1SG" and resid 10   and name HB2 ))
      3.400     1.500     1.500 peak   775 spectrum    1 weight  0.10000E+01 volume  0.12119E-02 ppm1      8.853 ppm2      1.250 CV     1
 ASSI {  776}
   (( segid " 1SG" and resid 102  and name HN  ))
   (( segid " 1SG" and resid 87   and name HN  ))
      3.100     1.200     1.200 peak   776 spectrum    1 weight  0.10000E+01 volume  0.12103E-02 ppm1      8.557 ppm2      9.117 CV     1
 ASSI {  777}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 94   and name HG2 ))
      3.700     1.700     1.700 peak   777 spectrum    1 weight  0.10000E+01 volume  0.12089E-02 ppm1      7.971 ppm2      1.402 CV     1
 OR {  777}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 94   and name HG1 ))
 ASSI {  778}
   (( segid " 1SG" and resid 75   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
      3.600     1.600     1.600 peak   778 spectrum    1 weight  0.10000E+01 volume  0.12071E-02 ppm1      9.152 ppm2      0.609 CV     1
 OR {  778}
   (( segid " 1SG" and resid 75   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI {  779}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 49   and name HA  ))
      3.000     1.200     1.200 peak   779 spectrum    1 weight  0.10000E+01 volume  0.12047E-02 ppm1      9.288 ppm2      3.859 CV     1
 ASSI {  783}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 56   and name HB2 ))
      3.600     1.600     1.600 peak   783 spectrum    1 weight  0.10000E+01 volume  0.12020E-02 ppm1      7.198 ppm2      3.101 CV     1
 ASSI {  790}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 104  and name HA  ))
      3.200     1.300     1.300 peak   790 spectrum    1 weight  0.10000E+01 volume  0.11892E-02 ppm1      8.792 ppm2      5.431 CV     1
 ASSI {  791}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 53   and name HN  ))
      3.800     1.800     1.800 peak   791 spectrum    1 weight  0.10000E+01 volume  0.11882E-02 ppm1      9.018 ppm2      6.764 CV     1
 ASSI {  792}
   (( segid " 1SG" and resid 104  and name HN  ))
   (  segid " 1SG" and resid 87   and name HE% )
      3.700     1.700     1.700 peak   792 spectrum    1 weight  0.10000E+01 volume  0.11871E-02 ppm1      8.791 ppm2      6.590 CV     1
 ASSI {  794}
   (( segid " 1SG" and resid 84   and name HN  ))
   (( segid " 1SG" and resid 85   and name HN  ))
      3.300     1.400     1.400 peak   794 spectrum    1 weight  0.10000E+01 volume  0.11843E-02 ppm1      7.865 ppm2      9.407 CV     1
 ASSI {  799}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (  segid " 1SG" and resid 39   and name HG2%)
      3.700     1.800     1.800 peak   799 spectrum    1 weight  0.10000E+01 volume  0.11730E-02 ppm1     10.779 ppm2     -0.462 CV     1
 ASSI {  802}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 103  and name HA  ))
      3.100     1.200     1.200 peak   802 spectrum    1 weight  0.10000E+01 volume  0.11663E-02 ppm1      9.242 ppm2      5.536 CV     1
 ASSI {  803}
   (( segid " 1SG" and resid 8    and name HN  ))
   (( segid " 1SG" and resid 8    and name HA  ))
      3.300     1.400     1.400 peak   803 spectrum    1 weight  0.10000E+01 volume  0.11603E-02 ppm1      9.052 ppm2      4.174 CV     1
 ASSI {  805}
   (( segid " 1SG" and resid 30   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG1%)
      4.100     2.100     1.900 peak   805 spectrum    1 weight  0.10000E+01 volume  0.11575E-02 ppm1      8.593 ppm2      0.934 CV     1
 OR {  805}
   (( segid " 1SG" and resid 30   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG2%)
 ASSI {  807}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 57   and name HG  ))
      4.100     2.100     1.900 peak   807 spectrum    1 weight  0.10000E+01 volume  0.11502E-02 ppm1      8.941 ppm2      0.750 CV     1
 ASSI {  808}
   (( segid " 1SG" and resid 80   and name HE22))
   (  segid " 1SG" and resid 18   and name HG1%)
      4.600     2.600     1.400 peak   808 spectrum    1 weight  0.10000E+01 volume  0.11496E-02 ppm1      6.644 ppm2      0.986 CV     1
 ASSI {  810}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 59   and name HA  ))
      3.900     1.900     1.900 peak   810 spectrum    1 weight  0.10000E+01 volume  0.11440E-02 ppm1      9.150 ppm2      5.181 CV     1
 ASSI {  811}
   (( segid " 1SG" and resid 93   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.300     1.400     1.400 peak   811 spectrum    1 weight  0.10000E+01 volume  0.11428E-02 ppm1      8.558 ppm2      0.475 CV     1
 ASSI {  812}
   (( segid " 1SG" and resid 19   and name HN  ))
   (( segid " 1SG" and resid 78   and name HA  ))
      3.200     1.300     1.300 peak   812 spectrum    1 weight  0.10000E+01 volume  0.11421E-02 ppm1      9.829 ppm2      4.106 CV     1
 ASSI {  813}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 38   and name HB  ))
      3.400     1.500     1.500 peak   813 spectrum    1 weight  0.10000E+01 volume  0.11407E-02 ppm1      8.735 ppm2      1.891 CV     1
 ASSI {  814}
   (( segid " 1SG" and resid 43   and name HN  ))
   (  segid " 1SG" and resid 49   and name HD1%)
      3.400     1.400     1.400 peak   814 spectrum    1 weight  0.10000E+01 volume  0.11404E-02 ppm1      8.631 ppm2      1.759 CV     1
 ASSI {  815}
   (( segid " 1SG" and resid 6    and name HN  ))
   (( segid " 1SG" and resid 5    and name HA2 ))
      3.400     1.400     1.400 peak   815 spectrum    1 weight  0.10000E+01 volume  0.11393E-02 ppm1      8.450 ppm2      3.861 CV     1
 OR {  815}
   (( segid " 1SG" and resid 6    and name HN  ))
   (( segid " 1SG" and resid 5    and name HA1 ))
 ASSI {  816}
   (( segid " 1SG" and resid 26   and name HN  ))
   (( segid " 1SG" and resid 72   and name HN  ))
      3.200     1.300     1.300 peak   816 spectrum    1 weight  0.10000E+01 volume  0.11376E-02 ppm1      9.497 ppm2      9.294 CV     1
 ASSI {  817}
   (( segid " 1SG" and resid 46   and name HN  ))
   (( segid " 1SG" and resid 45   and name HA  ))
      3.200     1.300     1.300 peak   817 spectrum    1 weight  0.10000E+01 volume  0.11375E-02 ppm1      8.215 ppm2      3.494 CV     1
 ASSI {  819}
   (( segid " 1SG" and resid 47   and name HN  ))
   (  segid " 1SG" and resid 42   and name HD% )
      3.500     1.500     1.500 peak   819 spectrum    1 weight  0.10000E+01 volume  0.11354E-02 ppm1      7.293 ppm2      6.695 CV     1
 ASSI {  820}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 49   and name HB2 ))
      2.800     1.000     1.000 peak   820 spectrum    1 weight  0.10000E+01 volume  0.11331E-02 ppm1      9.288 ppm2      1.557 CV     1
 ASSI {  822}
   (( segid " 1SG" and resid 29   and name HN  ))
   (( segid " 1SG" and resid 7    and name HA  ))
      3.800     1.800     1.800 peak   822 spectrum    1 weight  0.10000E+01 volume  0.11249E-02 ppm1      8.855 ppm2      4.626 CV     1
 ASSI {  823}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 74   and name HN  ))
      3.400     1.500     1.500 peak   823 spectrum    1 weight  0.10000E+01 volume  0.11246E-02 ppm1      9.240 ppm2      8.469 CV     1
 ASSI {  825}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 40   and name HG2 ))
      4.600     2.600     1.400 peak   825 spectrum    1 weight  0.10000E+01 volume  0.11235E-02 ppm1      9.308 ppm2      1.241 CV     1
 OR {  825}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 40   and name HG1 ))
 ASSI {  826}
   (( segid " 1SG" and resid 64   and name HN  ))
   (  segid " 1SG" and resid 69   and name HG2%)
      4.000     2.000     2.000 peak   826 spectrum    1 weight  0.10000E+01 volume  0.11225E-02 ppm1      7.752 ppm2      0.845 CV     1
 OR {  826}
   (( segid " 1SG" and resid 64   and name HN  ))
   (  segid " 1SG" and resid 69   and name HG1%)
 ASSI {  827}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 9    and name HN  ))
      3.400     1.400     1.400 peak   827 spectrum    1 weight  0.10000E+01 volume  0.11214E-02 ppm1      8.888 ppm2      7.891 CV     1
 ASSI {  828}
   (( segid " 1SG" and resid 58   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD1%)
      4.100     2.100     1.900 peak   828 spectrum    1 weight  0.10000E+01 volume  0.11200E-02 ppm1      8.945 ppm2      0.402 CV     1
 OR {  828}
   (( segid " 1SG" and resid 58   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD2%)
 ASSI {  829}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 42   and name HA  ))
      3.300     1.300     1.300 peak   829 spectrum    1 weight  0.10000E+01 volume  0.11189E-02 ppm1      9.289 ppm2      5.784 CV     1
 ASSI {  830}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 78   and name HB2 ))
      4.300     2.300     1.700 peak   830 spectrum    1 weight  0.10000E+01 volume  0.11159E-02 ppm1      8.973 ppm2      2.375 CV     1
 ASSI {  831}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB1 ))
      4.300     2.300     1.700 peak   831 spectrum    1 weight  0.10000E+01 volume  0.11159E-02 ppm1      8.941 ppm2      1.687 CV     1
 OR {  831}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB2 ))
 ASSI {  832}
   (( segid " 1SG" and resid 70   and name HN  ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      3.200     1.200     1.200 peak   832 spectrum    1 weight  0.10000E+01 volume  0.11150E-02 ppm1      9.273 ppm2      2.816 CV     1
 ASSI {  833}
   (( segid " 1SG" and resid 87   and name HN  ))
   (( segid " 1SG" and resid 87   and name HB2 ))
      3.000     1.200     1.200 peak   833 spectrum    1 weight  0.10000E+01 volume  0.11122E-02 ppm1      9.112 ppm2      0.700 CV     1
 ASSI {  834}
   (( segid " 1SG" and resid 5    and name HN  ))
   (  segid " 1SG" and resid 4    and name HG2%)
      3.100     1.200     1.200 peak   834 spectrum    1 weight  0.10000E+01 volume  0.11115E-02 ppm1      8.145 ppm2      0.907 CV     1
 ASSI {  838}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 64   and name HB2 ))
      4.200     2.200     1.800 peak   838 spectrum    1 weight  0.10000E+01 volume  0.11064E-02 ppm1      8.307 ppm2      2.338 CV     1
 ASSI {  839}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 90   and name HN  ))
      3.300     1.300     1.300 peak   839 spectrum    1 weight  0.10000E+01 volume  0.11051E-02 ppm1      8.694 ppm2      9.477 CV     1
 ASSI {  840}
   (( segid " 1SG" and resid 92   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG2%)
      4.200     2.200     1.800 peak   840 spectrum    1 weight  0.10000E+01 volume  0.11041E-02 ppm1      8.735 ppm2     -0.459 CV     1
 ASSI {  841}
   (( segid " 1SG" and resid 68   and name HN  ))
   (( segid " 1SG" and resid 66   and name HN  ))
      4.300     2.300     1.700 peak   841 spectrum    1 weight  0.10000E+01 volume  0.11005E-02 ppm1      7.875 ppm2      8.104 CV     1
 ASSI {  843}
   (( segid " 1SG" and resid 7    and name HN  ))
   (( segid " 1SG" and resid 7    and name HB2 ))
      3.100     1.200     1.200 peak   843 spectrum    1 weight  0.10000E+01 volume  0.10996E-02 ppm1      8.878 ppm2      2.581 CV     1
 ASSI {  844}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 69   and name HN  ))
      3.900     1.900     1.900 peak   844 spectrum    1 weight  0.10000E+01 volume  0.10984E-02 ppm1      7.422 ppm2      6.897 CV     1
 ASSI {  847}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 4    and name HN  ))
      3.700     1.700     1.700 peak   847 spectrum    1 weight  0.10000E+01 volume  0.10936E-02 ppm1      8.112 ppm2      8.269 CV     1
 ASSI {  848}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 39   and name HB  ))
      3.800     1.800     1.800 peak   848 spectrum    1 weight  0.10000E+01 volume  0.10906E-02 ppm1      8.696 ppm2      0.582 CV     1
 ASSI {  852}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 71   and name HA  ))
      3.100     1.200     1.200 peak   852 spectrum    1 weight  0.10000E+01 volume  0.10812E-02 ppm1      8.722 ppm2      5.068 CV     1
 ASSI {  853}
   (( segid " 1SG" and resid 31   and name HN  ))
   (( segid " 1SG" and resid 30   and name HN  ))
      3.200     1.300     1.300 peak   853 spectrum    1 weight  0.10000E+01 volume  0.10809E-02 ppm1      8.414 ppm2      8.590 CV     1
 ASSI {  854}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 80   and name HN  ))
      4.200     2.200     1.800 peak   854 spectrum    1 weight  0.10000E+01 volume  0.10801E-02 ppm1      8.971 ppm2      5.576 CV     1
 ASSI {  859}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 41   and name HA  ))
      3.200     1.300     1.300 peak   859 spectrum    1 weight  0.10000E+01 volume  0.10717E-02 ppm1      9.309 ppm2      5.470 CV     1
 ASSI {  860}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 73   and name HB2 ))
      3.400     1.400     1.400 peak   860 spectrum    1 weight  0.10000E+01 volume  0.10693E-02 ppm1      9.449 ppm2      1.556 CV     1
 ASSI {  861}
   (( segid " 1SG" and resid 20   and name HN  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      2.800     2.800     3.200 peak   861 spectrum    1 weight  0.10000E+01 volume  0.10681E-02 ppm1      8.825 ppm2      1.280 CV     1
 ASSI {  863}
   (( segid " 1SG" and resid 16   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      4.200     2.200     1.800 peak   863 spectrum    1 weight  0.10000E+01 volume  0.10663E-02 ppm1      8.593 ppm2      0.375 CV     1
 ASSI {  864}
   (( segid " 1SG" and resid 26   and name HN  ))
   (( segid " 1SG" and resid 73   and name HA  ))
      3.600     1.600     1.600 peak   864 spectrum    1 weight  0.10000E+01 volume  0.10640E-02 ppm1      9.497 ppm2      5.471 CV     1
 ASSI {  865}
   (( segid " 1SG" and resid 46   and name HN  ))
   (  segid " 1SG" and resid 47   and name HG1%)
      5.000     3.100     1.000 peak   865 spectrum    1 weight  0.10000E+01 volume  0.10635E-02 ppm1      8.216 ppm2      0.967 CV     1
 ASSI {  866}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 46   and name HA  ))
      3.600     1.600     1.600 peak   866 spectrum    1 weight  0.10000E+01 volume  0.10620E-02 ppm1      7.291 ppm2      4.989 CV     1
 ASSI {  872}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 52   and name HB2 ))
      3.600     1.600     1.600 peak   872 spectrum    1 weight  0.10000E+01 volume  0.10560E-02 ppm1      6.764 ppm2      1.716 CV     1
 ASSI {  873}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 76   and name HG12))
      4.300     2.300     1.700 peak   873 spectrum    1 weight  0.10000E+01 volume  0.10551E-02 ppm1      7.198 ppm2      1.092 CV     1
 ASSI {  874}
   (( segid " 1SG" and resid 71   and name HN  ))
   (  segid " 1SG" and resid 63   and name HD% )
      2.800     2.800     3.200 peak   874 spectrum    1 weight  0.10000E+01 volume  0.10525E-02 ppm1      8.724 ppm2      5.900 CV     1
 ASSI {  875}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 104  and name HB2 ))
      3.900     1.900     1.900 peak   875 spectrum    1 weight  0.10000E+01 volume  0.10518E-02 ppm1      8.793 ppm2      1.229 CV     1
 ASSI {  877}
   (( segid " 1SG" and resid 24   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD2%)
      4.300     2.300     1.700 peak   877 spectrum    1 weight  0.10000E+01 volume  0.10492E-02 ppm1      9.239 ppm2      0.410 CV     1
 OR {  877}
   (( segid " 1SG" and resid 24   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI {  879}
   (( segid " 1SG" and resid 96   and name HN  ))
   (  segid " 1SG" and resid 93   and name HG2%)
      2.800     2.800     3.200 peak   879 spectrum    1 weight  0.10000E+01 volume  0.10463E-02 ppm1      7.548 ppm2      1.025 CV     1
 ASSI {  880}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 78   and name HA  ))
      3.400     1.500     1.500 peak   880 spectrum    1 weight  0.10000E+01 volume  0.10454E-02 ppm1      8.826 ppm2      4.088 CV     1
 ASSI {  881}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 41   and name HB2 ))
      2.900     1.000     1.000 peak   881 spectrum    1 weight  0.10000E+01 volume  0.10446E-02 ppm1      9.312 ppm2      3.155 CV     1
 ASSI {  885}
   (( segid " 1SG" and resid 86   and name HN  ))
   (( segid " 1SG" and resid 87   and name HN  ))
      3.600     1.600     1.600 peak   885 spectrum    1 weight  0.10000E+01 volume  0.10385E-02 ppm1      7.947 ppm2      9.112 CV     1
 ASSI {  886}
   (( segid " 1SG" and resid 24   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
      4.700     2.700     1.300 peak   886 spectrum    1 weight  0.10000E+01 volume  0.10378E-02 ppm1      9.239 ppm2      0.619 CV     1
 OR {  886}
   (( segid " 1SG" and resid 24   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI {  888}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 105  and name HA  ))
      3.200     1.300     1.300 peak   888 spectrum    1 weight  0.10000E+01 volume  0.10361E-02 ppm1      8.397 ppm2      4.536 CV     1
 ASSI {  889}
   (( segid " 1SG" and resid 58   and name HE22))
   (  segid " 1SG" and resid 77   and name HG2%)
      3.500     1.600     1.600 peak   889 spectrum    1 weight  0.10000E+01 volume  0.10330E-02 ppm1      6.684 ppm2      1.034 CV     1
 ASSI {  890}
   (( segid " 1SG" and resid 58   and name HN  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      4.000     2.000     2.000 peak   890 spectrum    1 weight  0.10000E+01 volume  0.10321E-02 ppm1      8.939 ppm2      1.056 CV     1
 ASSI {  891}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 38   and name HN  ))
      4.000     2.000     2.000 peak   891 spectrum    1 weight  0.10000E+01 volume  0.10309E-02 ppm1      7.893 ppm2      8.374 CV     1
 ASSI {  892}
   (( segid " 1SG" and resid 14   and name HN  ))
   (  segid " 1SG" and resid 22   and name HD1%)
      4.200     2.200     1.800 peak   892 spectrum    1 weight  0.10000E+01 volume  0.10305E-02 ppm1      9.186 ppm2      0.528 CV     1
 ASSI {  894}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 28   and name HA  ))
      3.200     1.300     1.300 peak   894 spectrum    1 weight  0.10000E+01 volume  0.10278E-02 ppm1      9.673 ppm2      4.901 CV     1
 ASSI {  896}
   (( segid " 1SG" and resid 98   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.700     1.700     1.700 peak   896 spectrum    1 weight  0.10000E+01 volume  0.10274E-02 ppm1      8.417 ppm2      0.476 CV     1
 ASSI {  897}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 45   and name HA  ))
      4.400     2.400     1.600 peak   897 spectrum    1 weight  0.10000E+01 volume  0.10270E-02 ppm1      7.291 ppm2      3.498 CV     1
 ASSI {  899}
   (( segid " 1SG" and resid 80   and name HE21))
   (  segid " 1SG" and resid 18   and name HG1%)
      4.100     2.100     1.900 peak   899 spectrum    1 weight  0.10000E+01 volume  0.10259E-02 ppm1      6.984 ppm2      0.990 CV     1
 ASSI {  900}
   (( segid " 1SG" and resid 85   and name HN  ))
   (  segid " 1SG" and resid 87   and name HE% )
      3.800     1.800     1.800 peak   900 spectrum    1 weight  0.10000E+01 volume  0.10253E-02 ppm1      9.408 ppm2      6.590 CV     1
 ASSI {  902}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 14   and name HN  ))
      4.000     2.000     2.000 peak   902 spectrum    1 weight  0.10000E+01 volume  0.10243E-02 ppm1      8.503 ppm2      9.185 CV     1
 ASSI {  905}
   (( segid " 1SG" and resid 8    and name HN  ))
   (( segid " 1SG" and resid 28   and name HA  ))
      3.400     1.500     1.500 peak   905 spectrum    1 weight  0.10000E+01 volume  0.10212E-02 ppm1      9.051 ppm2      4.900 CV     1
 ASSI {  906}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 61   and name HN  ))
      4.100     2.100     1.900 peak   906 spectrum    1 weight  0.10000E+01 volume  0.10201E-02 ppm1      8.846 ppm2      8.182 CV     1
 ASSI {  911}
   (( segid " 1SG" and resid 7    and name HN  ))
   (( segid " 1SG" and resid 7    and name HA  ))
      3.500     1.500     1.500 peak   911 spectrum    1 weight  0.10000E+01 volume  0.10126E-02 ppm1      8.874 ppm2      4.632 CV     1
 ASSI {  913}
   (( segid " 1SG" and resid 100  and name HN  ))
   (( segid " 1SG" and resid 90   and name HB2 ))
      2.800     2.800     3.200 peak   913 spectrum    1 weight  0.10000E+01 volume  0.10095E-02 ppm1      8.888 ppm2      2.040 CV     1
 ASSI {  914}
   (( segid " 1SG" and resid 100  and name HN  ))
   (( segid " 1SG" and resid 99   and name HB2 ))
      3.500     1.600     1.600 peak   914 spectrum    1 weight  0.10000E+01 volume  0.10071E-02 ppm1      8.896 ppm2      2.735 CV     1
 ASSI {  915}
   (( segid " 1SG" and resid 68   and name HN  ))
   (( segid " 1SG" and resid 67   and name HB1 ))
      4.000     2.000     2.000 peak   915 spectrum    1 weight  0.10000E+01 volume  0.10044E-02 ppm1      7.872 ppm2      3.727 CV     1
 OR {  915}
   (( segid " 1SG" and resid 68   and name HN  ))
   (( segid " 1SG" and resid 67   and name HB2 ))
 ASSI {  916}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 36   and name HD2 ))
      4.300     2.300     1.700 peak   916 spectrum    1 weight  0.10000E+01 volume  0.10028E-02 ppm1      7.511 ppm2      3.495 CV     1
 ASSI {  919}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 103  and name HD22))
      3.600     1.600     1.600 peak   919 spectrum    1 weight  0.10000E+01 volume  0.99941E-03 ppm1      9.241 ppm2      6.759 CV     1
 ASSI {  920}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 16   and name HN  ))
      4.000     2.000     2.000 peak   920 spectrum    1 weight  0.10000E+01 volume  0.99918E-03 ppm1      8.401 ppm2      8.591 CV     1
 ASSI {  922}
   (( segid " 1SG" and resid 84   and name HN  ))
   (( segid " 1SG" and resid 106  and name HB  ))
      4.300     2.300     1.700 peak   922 spectrum    1 weight  0.10000E+01 volume  0.99674E-03 ppm1      7.867 ppm2      1.848 CV     1
 ASSI {  929}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 62   and name HB2 ))
      3.400     1.500     1.500 peak   929 spectrum    1 weight  0.10000E+01 volume  0.99084E-03 ppm1      8.847 ppm2      3.809 CV     1
 ASSI {  930}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 43   and name HN  ))
      3.300     1.300     1.300 peak   930 spectrum    1 weight  0.10000E+01 volume  0.98991E-03 ppm1      7.291 ppm2      8.632 CV     1
 ASSI {  931}
   (( segid " 1SG" and resid 59   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
      3.600     1.600     1.600 peak   931 spectrum    1 weight  0.10000E+01 volume  0.98968E-03 ppm1      8.380 ppm2      0.601 CV     1
 OR {  931}
   (( segid " 1SG" and resid 59   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI {  939}
   (( segid " 1SG" and resid 84   and name HN  ))
   (( segid " 1SG" and resid 81   and name HA  ))
      5.000     3.100     1.000 peak   939 spectrum    1 weight  0.10000E+01 volume  0.98191E-03 ppm1      7.866 ppm2      3.996 CV     1
 ASSI {  940}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 96   and name HG1 ))
      3.100     1.200     1.200 peak   940 spectrum    1 weight  0.10000E+01 volume  0.98186E-03 ppm1      8.106 ppm2      1.324 CV     1
 OR {  940}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 96   and name HG2 ))
 ASSI {  941}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 25   and name HA  ))
      3.600     1.600     1.600 peak   941 spectrum    1 weight  0.10000E+01 volume  0.98104E-03 ppm1      8.472 ppm2      5.686 CV     1
 ASSI {  943}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 43   and name HG2 ))
      3.200     1.300     1.300 peak   943 spectrum    1 weight  0.10000E+01 volume  0.97542E-03 ppm1      8.211 ppm2      0.071 CV     1
 ASSI {  944}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 59   and name HN  ))
      3.600     1.700     1.700 peak   944 spectrum    1 weight  0.10000E+01 volume  0.96969E-03 ppm1      8.685 ppm2      8.389 CV     1
 ASSI {  946}
   (( segid " 1SG" and resid 90   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG2%)
      4.400     2.500     1.600 peak   946 spectrum    1 weight  0.10000E+01 volume  0.96343E-03 ppm1      9.489 ppm2     -0.473 CV     1
 ASSI {  947}
   (( segid " 1SG" and resid 23   and name HN  ))
   (( segid " 1SG" and resid 22   and name HN  ))
      3.900     1.900     1.900 peak   947 spectrum    1 weight  0.10000E+01 volume  0.96123E-03 ppm1      7.911 ppm2      8.899 CV     1
 ASSI {  951}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 73   and name HB2 ))
      3.800     1.800     1.800 peak   951 spectrum    1 weight  0.10000E+01 volume  0.95590E-03 ppm1      8.467 ppm2      1.552 CV     1
 ASSI {  952}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 72   and name HB2 ))
      3.900     1.900     1.900 peak   952 spectrum    1 weight  0.10000E+01 volume  0.95480E-03 ppm1      8.896 ppm2      2.884 CV     1
 ASSI {  953}
   (( segid " 1SG" and resid 82   and name HN  ))
   (( segid " 1SG" and resid 82   and name HA  ))
      3.500     1.600     1.600 peak   953 spectrum    1 weight  0.10000E+01 volume  0.95434E-03 ppm1      8.017 ppm2      4.202 CV     1
 ASSI {  955}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 91   and name HB  ))
      4.200     2.200     1.800 peak   955 spectrum    1 weight  0.10000E+01 volume  0.95329E-03 ppm1      8.733 ppm2      1.128 CV     1
 ASSI {  963}
   (( segid " 1SG" and resid 72   and name HN  ))
   (( segid " 1SG" and resid 72   and name HA  ))
      3.100     1.200     1.200 peak   963 spectrum    1 weight  0.10000E+01 volume  0.94304E-03 ppm1      9.295 ppm2      5.368 CV     1
 ASSI {  964}
   (( segid " 1SG" and resid 87   and name HN  ))
   (( segid " 1SG" and resid 87   and name HA  ))
      3.300     1.300     1.300 peak   964 spectrum    1 weight  0.10000E+01 volume  0.94165E-03 ppm1      9.110 ppm2      4.975 CV     1
 ASSI {  967}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 17   and name HN  ))
      4.100     2.100     1.900 peak   967 spectrum    1 weight  0.10000E+01 volume  0.93805E-03 ppm1      8.592 ppm2      7.900 CV     1
 ASSI {  968}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 40   and name HN  ))
      3.900     1.900     1.900 peak   968 spectrum    1 weight  0.10000E+01 volume  0.93562E-03 ppm1      7.893 ppm2      8.706 CV     1
 ASSI {  971}
   (( segid " 1SG" and resid 33   and name HN  ))
   (  segid " 1SG" and resid 33   and name HD2%)
      3.600     1.600     1.600 peak   971 spectrum    1 weight  0.10000E+01 volume  0.93278E-03 ppm1      7.611 ppm2      0.876 CV     1
 OR {  971}
   (( segid " 1SG" and resid 33   and name HN  ))
   (  segid " 1SG" and resid 33   and name HD1%)
 ASSI {  972}
   (( segid " 1SG" and resid 72   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD2%)
      4.200     2.200     1.800 peak   972 spectrum    1 weight  0.10000E+01 volume  0.93249E-03 ppm1      9.295 ppm2      0.738 CV     1
 ASSI {  975}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 42   and name HN  ))
      3.400     1.400     1.400 peak   975 spectrum    1 weight  0.10000E+01 volume  0.92994E-03 ppm1      9.108 ppm2      9.450 CV     1
 ASSI {  976}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 74   and name HB2 ))
      4.100     2.100     1.900 peak   976 spectrum    1 weight  0.10000E+01 volume  0.92826E-03 ppm1      9.150 ppm2     -0.838 CV     1
 ASSI {  977}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 87   and name HB2 ))
      4.100     2.100     1.900 peak   977 spectrum    1 weight  0.10000E+01 volume  0.92345E-03 ppm1      9.107 ppm2      0.710 CV     1
 ASSI {  979}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 46   and name HB2 ))
      3.800     1.800     1.800 peak   979 spectrum    1 weight  0.10000E+01 volume  0.91905E-03 ppm1      7.292 ppm2      3.055 CV     1
 ASSI {  980}
   (( segid " 1SG" and resid 10   and name HN  ))
   (( segid " 1SG" and resid 9    and name HG2 ))
      4.000     2.000     2.000 peak   980 spectrum    1 weight  0.10000E+01 volume  0.91882E-03 ppm1      8.851 ppm2      2.507 CV     1
 ASSI {  984}
   (( segid " 1SG" and resid 107  and name HN  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      4.500     2.500     1.500 peak   984 spectrum    1 weight  0.10000E+01 volume  0.91187E-03 ppm1      8.820 ppm2      1.285 CV     1
 ASSI {  990}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 77   and name HN  ))
      4.000     2.000     2.000 peak   990 spectrum    1 weight  0.10000E+01 volume  0.90549E-03 ppm1      8.053 ppm2      8.718 CV     1
 ASSI {  991}
   (( segid " 1SG" and resid 97   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.700     1.700     1.700 peak   991 spectrum    1 weight  0.10000E+01 volume  0.90515E-03 ppm1      8.063 ppm2      0.474 CV     1
 ASSI {  992}
   (( segid " 1SG" and resid 90   and name HN  ))
   (( segid " 1SG" and resid 90   and name HB2 ))
      3.300     1.400     1.400 peak   992 spectrum    1 weight  0.10000E+01 volume  0.90480E-03 ppm1      9.489 ppm2      2.034 CV     1
 ASSI {  993}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 49   and name HG  ))
      4.100     2.100     1.900 peak   993 spectrum    1 weight  0.10000E+01 volume  0.90445E-03 ppm1      8.941 ppm2      0.789 CV     1
 ASSI {  994}
   (( segid " 1SG" and resid 22   and name HN  ))
   (  segid " 1SG" and resid 77   and name HG2%)
      4.000     2.000     2.000 peak   994 spectrum    1 weight  0.10000E+01 volume  0.90237E-03 ppm1      8.888 ppm2      1.018 CV     1
 ASSI {  996}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 43   and name HB2 ))
      3.500     1.500     1.500 peak   996 spectrum    1 weight  0.10000E+01 volume  0.90086E-03 ppm1      8.628 ppm2      1.216 CV     1
 ASSI {  998}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 18   and name HA  ))
      3.900     1.900     1.900 peak   998 spectrum    1 weight  0.10000E+01 volume  0.89362E-03 ppm1      8.973 ppm2      3.481 CV     1
 ASSI { 1001}
   (( segid " 1SG" and resid 28   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG1%)
      3.900     1.900     1.900 peak  1001 spectrum    1 weight  0.10000E+01 volume  0.89043E-03 ppm1      9.673 ppm2      0.941 CV     1
 OR { 1001}
   (( segid " 1SG" and resid 28   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG2%)
 ASSI { 1002}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 2    and name HA  ))
      3.800     1.800     1.800 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.88904E-03 ppm1      8.264 ppm2      4.901 CV     1
 ASSI { 1003}
   (( segid " 1SG" and resid 105  and name HN  ))
   (  segid " 1SG" and resid 104  and name HD2%)
      4.400     2.400     1.600 peak  1003 spectrum    1 weight  0.10000E+01 volume  0.88203E-03 ppm1      8.399 ppm2      0.818 CV     1
 ASSI { 1004}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 57   and name HG  ))
      3.800     1.800     1.800 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.88133E-03 ppm1      6.764 ppm2      0.753 CV     1
 ASSI { 1008}
   (( segid " 1SG" and resid 78   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      4.300     2.300     1.700 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.87879E-03 ppm1      8.053 ppm2      1.176 CV     1
 ASSI { 1009}
   (( segid " 1SG" and resid 27   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG1%)
      4.400     2.400     1.600 peak  1009 spectrum    1 weight  0.10000E+01 volume  0.87867E-03 ppm1      8.893 ppm2      0.948 CV     1
 OR { 1009}
   (( segid " 1SG" and resid 27   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG2%)
 ASSI { 1013}
   (( segid " 1SG" and resid 46   and name HN  ))
   (( segid " 1SG" and resid 46   and name HA  ))
      3.300     1.400     1.400 peak  1013 spectrum    1 weight  0.10000E+01 volume  0.87664E-03 ppm1      8.217 ppm2      4.976 CV     1
 ASSI { 1014}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 21   and name HN  ))
      4.000     2.000     2.000 peak  1014 spectrum    1 weight  0.10000E+01 volume  0.87612E-03 ppm1      8.891 ppm2      8.169 CV     1
 ASSI { 1015}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 74   and name HA  ))
      3.300     1.300     1.300 peak  1015 spectrum    1 weight  0.10000E+01 volume  0.87560E-03 ppm1      8.470 ppm2      4.333 CV     1
 ASSI { 1016}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (  segid " 1SG" and resid 47   and name HG1%)
      4.300     2.400     1.700 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.87427E-03 ppm1     10.115 ppm2      0.962 CV     1
 ASSI { 1017}
   (( segid " 1SG" and resid 38   and name HN  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      3.600     1.600     1.600 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.87131E-03 ppm1      8.375 ppm2      0.173 CV     1
 ASSI { 1018}
   (( segid " 1SG" and resid 98   and name HN  ))
   (  segid " 1SG" and resid 97   and name HD% )
      3.600     1.600     1.600 peak  1018 spectrum    1 weight  0.10000E+01 volume  0.86940E-03 ppm1      8.417 ppm2      7.087 CV     1
 ASSI { 1019}
   (( segid " 1SG" and resid 104  and name HN  ))
   (  segid " 1SG" and resid 104  and name HD2%)
      4.100     2.100     1.900 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.86679E-03 ppm1      8.795 ppm2      0.813 CV     1
 ASSI { 1020}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 57   and name HN  ))
      3.300     1.300     1.300 peak  1020 spectrum    1 weight  0.10000E+01 volume  0.86627E-03 ppm1      7.433 ppm2      7.207 CV     1
 ASSI { 1022}
   (( segid " 1SG" and resid 101  and name HN  ))
   (( segid " 1SG" and resid 101  and name HB2 ))
      4.100     2.100     1.900 peak  1022 spectrum    1 weight  0.10000E+01 volume  0.86459E-03 ppm1      9.044 ppm2      2.699 CV     1
 ASSI { 1023}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 58   and name HN  ))
      4.000     2.000     2.000 peak  1023 spectrum    1 weight  0.10000E+01 volume  0.86407E-03 ppm1      8.380 ppm2      8.945 CV     1
 ASSI { 1026}
   (( segid " 1SG" and resid 91   and name HN  ))
   (( segid " 1SG" and resid 99   and name HA  ))
      3.800     1.800     1.800 peak  1026 spectrum    1 weight  0.10000E+01 volume  0.85990E-03 ppm1      8.474 ppm2      5.702 CV     1
 ASSI { 1027}
   (( segid " 1SG" and resid 18   and name HN  ))
   (( segid " 1SG" and resid 107  and name HB1 ))
      4.200     2.200     1.800 peak  1027 spectrum    1 weight  0.10000E+01 volume  0.85938E-03 ppm1      8.006 ppm2      3.075 CV     1
 OR { 1027}
   (( segid " 1SG" and resid 18   and name HN  ))
   (( segid " 1SG" and resid 107  and name HB2 ))
 ASSI { 1028}
   (( segid " 1SG" and resid 12   and name HN  ))
   (( segid " 1SG" and resid 11   and name HB2 ))
      3.700     1.700     1.700 peak  1028 spectrum    1 weight  0.10000E+01 volume  0.85770E-03 ppm1      8.345 ppm2      0.920 CV     1
 ASSI { 1029}
   (( segid " 1SG" and resid 42   and name HN  ))
   (( segid " 1SG" and resid 42   and name HB2 ))
      3.400     1.500     1.500 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.85764E-03 ppm1      9.448 ppm2      2.466 CV     1
 ASSI { 1031}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 70   and name HN  ))
      4.000     2.000     2.000 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.85636E-03 ppm1      6.898 ppm2      9.268 CV     1
 ASSI { 1035}
   (( segid " 1SG" and resid 84   and name HN  ))
   (( segid " 1SG" and resid 106  and name HN  ))
      3.700     1.700     1.700 peak  1035 spectrum    1 weight  0.10000E+01 volume  0.85132E-03 ppm1      7.865 ppm2      8.160 CV     1
 ASSI { 1036}
   (( segid " 1SG" and resid 51   and name HN  ))
   (( segid " 1SG" and resid 49   and name HA  ))
      3.700     1.700     1.700 peak  1036 spectrum    1 weight  0.10000E+01 volume  0.84877E-03 ppm1      7.877 ppm2      3.864 CV     1
 ASSI { 1039}
   (( segid " 1SG" and resid 65   and name HN  ))
   (  segid " 1SG" and resid 66   and name HB% )
      4.600     2.700     1.400 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.84507E-03 ppm1      8.306 ppm2      1.408 CV     1
 ASSI { 1040}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      4.200     2.200     1.800 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.84437E-03 ppm1      8.721 ppm2      2.808 CV     1
 ASSI { 1041}
   (( segid " 1SG" and resid 70   and name HN  ))
   (( segid " 1SG" and resid 69   and name HB  ))
      4.000     2.000     2.000 peak  1041 spectrum    1 weight  0.10000E+01 volume  0.84182E-03 ppm1      9.274 ppm2      1.751 CV     1
 ASSI { 1042}
   (( segid " 1SG" and resid 84   and name HN  ))
   (( segid " 1SG" and resid 83   and name HB2 ))
      4.000     2.000     2.000 peak  1042 spectrum    1 weight  0.10000E+01 volume  0.84142E-03 ppm1      7.868 ppm2      3.172 CV     1
 ASSI { 1043}
   (( segid " 1SG" and resid 30   and name HN  ))
   (  segid " 1SG" and resid 70   and name HD% )
      3.800     1.800     1.800 peak  1043 spectrum    1 weight  0.10000E+01 volume  0.84020E-03 ppm1      8.592 ppm2      7.062 CV     1
 ASSI { 1045}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 81   and name HA  ))
      3.800     1.800     1.800 peak  1045 spectrum    1 weight  0.10000E+01 volume  0.83574E-03 ppm1      8.255 ppm2      3.992 CV     1
 ASSI { 1046}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 99   and name HA  ))
      3.500     1.500     1.500 peak  1046 spectrum    1 weight  0.10000E+01 volume  0.83261E-03 ppm1      9.230 ppm2      5.702 CV     1
 ASSI { 1047}
   (( segid " 1SG" and resid 84   and name HN  ))
   (  segid " 1SG" and resid 104  and name HD2%)
      3.900     1.900     1.900 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.83232E-03 ppm1      7.867 ppm2      0.812 CV     1
 ASSI { 1049}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 54   and name HN  ))
      3.600     1.600     1.600 peak  1049 spectrum    1 weight  0.10000E+01 volume  0.82971E-03 ppm1      7.434 ppm2      9.012 CV     1
 ASSI { 1051}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 19   and name HA1 ))
      4.800     2.900     1.200 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.82798E-03 ppm1      8.051 ppm2      4.254 CV     1
 ASSI { 1052}
   (( segid " 1SG" and resid 46   and name HN  ))
   (( segid " 1SG" and resid 46   and name HB2 ))
      3.900     1.900     1.900 peak  1052 spectrum    1 weight  0.10000E+01 volume  0.82658E-03 ppm1      8.216 ppm2      3.056 CV     1
 ASSI { 1054}
   (( segid " 1SG" and resid 62   and name HN  ))
   (  segid " 1SG" and resid 72   and name HD% )
      4.000     2.000     2.000 peak  1054 spectrum    1 weight  0.10000E+01 volume  0.82398E-03 ppm1      8.848 ppm2      7.306 CV     1
 ASSI { 1055}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HD1 ))
      3.900     1.900     1.900 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.82357E-03 ppm1      8.305 ppm2      3.228 CV     1
 OR { 1055}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HD2 ))
 ASSI { 1057}
   (( segid " 1SG" and resid 72   and name HN  ))
   (  segid " 1SG" and resid 26   and name HB% )
      3.700     1.700     1.700 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.82183E-03 ppm1      9.293 ppm2      1.455 CV     1
 ASSI { 1059}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 23   and name HB  ))
      4.300     2.300     1.700 peak  1059 spectrum    1 weight  0.10000E+01 volume  0.81842E-03 ppm1      9.239 ppm2      3.585 CV     1
 ASSI { 1060}
   (( segid " 1SG" and resid 70   and name HN  ))
   (( segid " 1SG" and resid 28   and name HN  ))
      3.300     1.400     1.400 peak  1060 spectrum    1 weight  0.10000E+01 volume  0.81801E-03 ppm1      9.269 ppm2      9.678 CV     1
 ASSI { 1061}
   (( segid " 1SG" and resid 46   and name HN  ))
   (( segid " 1SG" and resid 45   and name HB2 ))
      3.400     1.500     1.500 peak  1061 spectrum    1 weight  0.10000E+01 volume  0.81691E-03 ppm1      8.213 ppm2      0.596 CV     1
 ASSI { 1062}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 74   and name HA  ))
      3.600     1.600     1.600 peak  1062 spectrum    1 weight  0.10000E+01 volume  0.81581E-03 ppm1      8.687 ppm2      4.333 CV     1
 ASSI { 1065}
   (( segid " 1SG" and resid 85   and name HN  ))
   (( segid " 1SG" and resid 104  and name HG  ))
      3.800     1.800     1.800 peak  1065 spectrum    1 weight  0.10000E+01 volume  0.81141E-03 ppm1      9.407 ppm2      1.334 CV     1
 ASSI { 1071}
   (( segid " 1SG" and resid 7    and name HN  ))
   (( segid " 1SG" and resid 6    and name HA  ))
      3.600     1.700     1.700 peak  1071 spectrum    1 weight  0.10000E+01 volume  0.80474E-03 ppm1      8.878 ppm2      4.443 CV     1
 ASSI { 1073}
   (( segid " 1SG" and resid 19   and name HN  ))
   (( segid " 1SG" and resid 18   and name HN  ))
      4.300     2.300     1.700 peak  1073 spectrum    1 weight  0.10000E+01 volume  0.80069E-03 ppm1      9.828 ppm2      8.006 CV     1
 ASSI { 1077}
   (( segid " 1SG" and resid 62   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD2%)
      4.100     2.100     1.900 peak  1077 spectrum    1 weight  0.10000E+01 volume  0.79576E-03 ppm1      8.848 ppm2      0.735 CV     1
 ASSI { 1078}
   (( segid " 1SG" and resid 72   and name HN  ))
   (( segid " 1SG" and resid 27   and name HA  ))
      3.700     1.700     1.700 peak  1078 spectrum    1 weight  0.10000E+01 volume  0.79512E-03 ppm1      9.296 ppm2      5.831 CV     1
 ASSI { 1079}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 67   and name HB2 ))
      3.900     1.900     1.900 peak  1079 spectrum    1 weight  0.10000E+01 volume  0.79391E-03 ppm1      6.900 ppm2      3.732 CV     1
 OR { 1079}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 67   and name HB1 ))
 ASSI { 1080}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 55   and name HA  ))
      3.600     1.600     1.600 peak  1080 spectrum    1 weight  0.10000E+01 volume  0.79315E-03 ppm1      7.434 ppm2      3.988 CV     1
 ASSI { 1081}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 105  and name HB  ))
      4.100     2.100     1.900 peak  1081 spectrum    1 weight  0.10000E+01 volume  0.79281E-03 ppm1      8.593 ppm2      3.930 CV     1
 ASSI { 1082}
   (( segid " 1SG" and resid 77   and name HN  ))
   (( segid " 1SG" and resid 76   and name HB  ))
      4.100     2.100     1.900 peak  1082 spectrum    1 weight  0.10000E+01 volume  0.79258E-03 ppm1      8.711 ppm2      1.910 CV     1
 ASSI { 1083}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 21   and name HA  ))
      3.900     1.900     1.900 peak  1083 spectrum    1 weight  0.10000E+01 volume  0.79194E-03 ppm1      8.972 ppm2      5.495 CV     1
 ASSI { 1084}
   (( segid " 1SG" and resid 80   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      4.000     2.000     2.000 peak  1084 spectrum    1 weight  0.10000E+01 volume  0.79165E-03 ppm1      5.579 ppm2      1.174 CV     1
 ASSI { 1086}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 58   and name HA  ))
      3.500     1.600     1.600 peak  1086 spectrum    1 weight  0.10000E+01 volume  0.79066E-03 ppm1      9.017 ppm2      4.624 CV     1
 ASSI { 1088}
   (( segid " 1SG" and resid 85   and name HN  ))
   (  segid " 1SG" and resid 104  and name HD2%)
      3.300     1.400     1.400 peak  1088 spectrum    1 weight  0.10000E+01 volume  0.78875E-03 ppm1      9.407 ppm2      0.814 CV     1
 ASSI { 1092}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 72   and name HB2 ))
      4.400     2.400     1.600 peak  1092 spectrum    1 weight  0.10000E+01 volume  0.78435E-03 ppm1      9.451 ppm2      2.893 CV     1
 ASSI { 1095}
   (( segid " 1SG" and resid 90   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG1%)
      2.700     0.900     0.900 peak  1095 spectrum    1 weight  0.10000E+01 volume  0.36496E-02 ppm1      9.489 ppm2     -0.081 CV     1
 ASSI { 1099}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 46   and name HD1 ))
      3.800     1.800     1.800 peak  1099 spectrum    1 weight  0.10000E+01 volume  0.77328E-03 ppm1      7.291 ppm2      7.129 CV     1
 ASSI { 1101}
   (( segid " 1SG" and resid 43   and name HN  ))
   (  segid " 1SG" and resid 42   and name HD% )
      3.600     1.600     1.600 peak  1101 spectrum    1 weight  0.10000E+01 volume  0.77183E-03 ppm1      8.628 ppm2      6.700 CV     1
 ASSI { 1102}
   (( segid " 1SG" and resid 93   and name HN  ))
   (( segid " 1SG" and resid 92   and name HN  ))
      4.000     2.000     2.000 peak  1102 spectrum    1 weight  0.10000E+01 volume  0.77131E-03 ppm1      8.556 ppm2      8.734 CV     1
 ASSI { 1105}
   (( segid " 1SG" and resid 48   and name HN  ))
   (  segid " 1SG" and resid 42   and name HD% )
      4.200     2.200     1.800 peak  1105 spectrum    1 weight  0.10000E+01 volume  0.76367E-03 ppm1      8.396 ppm2      6.693 CV     1
 ASSI { 1106}
   (( segid " 1SG" and resid 90   and name HN  ))
   (( segid " 1SG" and resid 89   and name HB2 ))
      4.500     2.500     1.500 peak  1106 spectrum    1 weight  0.10000E+01 volume  0.76355E-03 ppm1      9.488 ppm2      2.324 CV     1
 ASSI { 1109}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 89   and name HB2 ))
      3.400     1.400     1.400 peak  1109 spectrum    1 weight  0.10000E+01 volume  0.76141E-03 ppm1      8.977 ppm2      2.309 CV     1
 ASSI { 1114}
   (( segid " 1SG" and resid 40   and name HN  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      5.000     3.200     1.000 peak  1114 spectrum    1 weight  0.10000E+01 volume  0.75445E-03 ppm1      8.695 ppm2      0.172 CV     1
 ASSI { 1115}
   (( segid " 1SG" and resid 96   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.800     1.800     1.800 peak  1115 spectrum    1 weight  0.10000E+01 volume  0.75092E-03 ppm1      7.545 ppm2      0.466 CV     1
 ASSI { 1116}
   (( segid " 1SG" and resid 78   and name HN  ))
   (  segid " 1SG" and resid 76   and name HG2%)
      4.000     2.000     2.000 peak  1116 spectrum    1 weight  0.10000E+01 volume  0.74744E-03 ppm1      8.055 ppm2      0.789 CV     1
 ASSI { 1117}
   (( segid " 1SG" and resid 64   and name HN  ))
   (( segid " 1SG" and resid 63   and name HB2 ))
      4.800     2.900     1.200 peak  1117 spectrum    1 weight  0.10000E+01 volume  0.74594E-03 ppm1      7.754 ppm2      2.540 CV     1
 ASSI { 1118}
   (( segid " 1SG" and resid 33   and name HN  ))
   (( segid " 1SG" and resid 32   and name HA  ))
      3.700     1.700     1.700 peak  1118 spectrum    1 weight  0.10000E+01 volume  0.74484E-03 ppm1      7.614 ppm2      4.515 CV     1
 ASSI { 1119}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 72   and name HN  ))
      4.200     2.200     1.800 peak  1119 spectrum    1 weight  0.10000E+01 volume  0.74397E-03 ppm1      9.450 ppm2      9.298 CV     1
 ASSI { 1120}
   (( segid " 1SG" and resid 50   and name HN  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      3.900     1.900     1.900 peak  1120 spectrum    1 weight  0.10000E+01 volume  0.74159E-03 ppm1      8.939 ppm2      1.056 CV     1
 ASSI { 1122}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 40   and name HD2 ))
      4.000     2.000     2.000 peak  1122 spectrum    1 weight  0.10000E+01 volume  0.73968E-03 ppm1      8.978 ppm2      1.704 CV     1
 OR { 1122}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 40   and name HD1 ))
 ASSI { 1124}
   (( segid " 1SG" and resid 84   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      5.300     3.500     0.700 peak  1124 spectrum    1 weight  0.10000E+01 volume  0.73887E-03 ppm1      7.861 ppm2      0.372 CV     1
 ASSI { 1127}
   (( segid " 1SG" and resid 30   and name HN  ))
   (  segid " 1SG" and resid 70   and name HE% )
      4.100     2.100     1.900 peak  1127 spectrum    1 weight  0.10000E+01 volume  0.73528E-03 ppm1      8.590 ppm2      6.626 CV     1
 ASSI { 1128}
   (( segid " 1SG" and resid 6    and name HN  ))
   (  segid " 1SG" and resid 6    and name HD1%)
      4.100     2.100     1.900 peak  1128 spectrum    1 weight  0.10000E+01 volume  0.73412E-03 ppm1      8.452 ppm2      0.650 CV     1
 ASSI { 1130}
   (( segid " 1SG" and resid 52   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
      4.500     2.600     1.500 peak  1130 spectrum    1 weight  0.10000E+01 volume  0.73296E-03 ppm1      7.782 ppm2      0.598 CV     1
 OR { 1130}
   (( segid " 1SG" and resid 52   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI { 1134}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 43   and name HA  ))
      3.300     1.400     1.400 peak  1134 spectrum    1 weight  0.10000E+01 volume  0.73081E-03 ppm1      8.628 ppm2      4.137 CV     1
 ASSI { 1135}
   (( segid " 1SG" and resid 102  and name HN  ))
   (  segid " 1SG" and resid 102  and name HD% )
      3.600     1.600     1.600 peak  1135 spectrum    1 weight  0.10000E+01 volume  0.73070E-03 ppm1      8.559 ppm2      6.774 CV     1
 ASSI { 1136}
   (( segid " 1SG" and resid 85   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG1%)
      4.100     2.100     1.900 peak  1136 spectrum    1 weight  0.10000E+01 volume  0.72977E-03 ppm1      9.402 ppm2      0.679 CV     1
 ASSI { 1139}
   (( segid " 1SG" and resid 97   and name HN  ))
   (  segid " 1SG" and resid 97   and name HD% )
      4.400     2.400     1.600 peak  1139 spectrum    1 weight  0.10000E+01 volume  0.72856E-03 ppm1      8.059 ppm2      7.095 CV     1
 ASSI { 1147}
   (( segid " 1SG" and resid 6    and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      4.500     2.600     1.500 peak  1147 spectrum    1 weight  0.10000E+01 volume  0.72305E-03 ppm1      8.450 ppm2      0.473 CV     1
 ASSI { 1148}
   (( segid " 1SG" and resid 100  and name HN  ))
   (( segid " 1SG" and resid 100  and name HB2 ))
      4.000     2.000     2.000 peak  1148 spectrum    1 weight  0.10000E+01 volume  0.72230E-03 ppm1      8.896 ppm2      2.949 CV     1
 ASSI { 1149}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 94   and name HD1 ))
      2.700     2.700     3.300 peak  1149 spectrum    1 weight  0.10000E+01 volume  0.72097E-03 ppm1      7.966 ppm2      1.675 CV     1
 OR { 1149}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 94   and name HD2 ))
 ASSI { 1150}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 7    and name HB2 ))
      3.000     3.000     3.000 peak  1150 spectrum    1 weight  0.10000E+01 volume  0.72068E-03 ppm1      7.886 ppm2      2.575 CV     1
 ASSI { 1151}
   (( segid " 1SG" and resid 105  and name HN  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      4.100     2.100     1.900 peak  1151 spectrum    1 weight  0.10000E+01 volume  0.72004E-03 ppm1      8.397 ppm2      0.598 CV     1
 ASSI { 1153}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 49   and name HB2 ))
      4.500     2.500     1.500 peak  1153 spectrum    1 weight  0.10000E+01 volume  0.71598E-03 ppm1      6.765 ppm2      1.541 CV     1
 ASSI { 1154}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 104  and name HG  ))
      4.100     2.100     1.900 peak  1154 spectrum    1 weight  0.10000E+01 volume  0.71552E-03 ppm1      8.795 ppm2      1.331 CV     1
 ASSI { 1155}
   (( segid " 1SG" and resid 17   and name HN  ))
   (( segid " 1SG" and resid 20   and name HA1 ))
      3.600     1.600     1.600 peak  1155 spectrum    1 weight  0.10000E+01 volume  0.71314E-03 ppm1      7.901 ppm2      3.729 CV     1
 ASSI { 1156}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 94   and name HA  ))
      4.700     2.700     1.300 peak  1156 spectrum    1 weight  0.10000E+01 volume  0.71309E-03 ppm1      7.545 ppm2      4.046 CV     1
 ASSI { 1159}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (  segid " 1SG" and resid 47   and name HG2%)
      4.500     2.500     1.500 peak  1159 spectrum    1 weight  0.10000E+01 volume  0.71222E-03 ppm1     10.119 ppm2      0.784 CV     1
 ASSI { 1160}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 29   and name HN  ))
      4.100     2.100     1.900 peak  1160 spectrum    1 weight  0.10000E+01 volume  0.71112E-03 ppm1      9.673 ppm2      8.869 CV     1
 ASSI { 1161}
   (( segid " 1SG" and resid 21   and name HN  ))
   (( segid " 1SG" and resid 77   and name HA  ))
      4.800     2.900     1.200 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.71054E-03 ppm1      8.164 ppm2      4.654 CV     1
 ASSI { 1162}
   (( segid " 1SG" and resid 64   and name HN  ))
   (( segid " 1SG" and resid 68   and name HN  ))
      4.100     2.100     1.900 peak  1162 spectrum    1 weight  0.10000E+01 volume  0.70984E-03 ppm1      7.762 ppm2      7.885 CV     1
 ASSI { 1163}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 48   and name HB2 ))
      4.300     2.300     1.700 peak  1163 spectrum    1 weight  0.10000E+01 volume  0.70944E-03 ppm1      9.289 ppm2      2.942 CV     1
 ASSI { 1166}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 104  and name HB2 ))
      4.500     2.600     1.500 peak  1166 spectrum    1 weight  0.10000E+01 volume  0.70741E-03 ppm1      8.397 ppm2      1.239 CV     1
 ASSI { 1167}
   (( segid " 1SG" and resid 8    and name HN  ))
   (  segid " 1SG" and resid 7    and name HD% )
      4.700     2.800     1.300 peak  1167 spectrum    1 weight  0.10000E+01 volume  0.70596E-03 ppm1      9.051 ppm2      7.309 CV     1
 ASSI { 1168}
   (( segid " 1SG" and resid 67   and name HN  ))
   (  segid " 1SG" and resid 69   and name HG2%)
      4.100     2.100     1.900 peak  1168 spectrum    1 weight  0.10000E+01 volume  0.70584E-03 ppm1      7.424 ppm2      0.850 CV     1
 OR { 1168}
   (( segid " 1SG" and resid 67   and name HN  ))
   (  segid " 1SG" and resid 69   and name HG1%)
 ASSI { 1170}
   (( segid " 1SG" and resid 12   and name HE21))
   (  segid " 1SG" and resid 102  and name HE% )
      4.200     2.200     1.800 peak  1170 spectrum    1 weight  0.10000E+01 volume  0.70515E-03 ppm1      7.462 ppm2      7.083 CV     1
 ASSI { 1172}
   (( segid " 1SG" and resid 86   and name HN  ))
   (( segid " 1SG" and resid 85   and name HN  ))
      4.100     2.100     1.900 peak  1172 spectrum    1 weight  0.10000E+01 volume  0.70498E-03 ppm1      7.948 ppm2      9.406 CV     1
 ASSI { 1173}
   (( segid " 1SG" and resid 90   and name HN  ))
   (( segid " 1SG" and resid 41   and name HA  ))
      4.300     2.300     1.700 peak  1173 spectrum    1 weight  0.10000E+01 volume  0.70306E-03 ppm1      9.490 ppm2      5.471 CV     1
 ASSI { 1174}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB1 ))
      4.600     2.700     1.400 peak  1174 spectrum    1 weight  0.10000E+01 volume  0.70295E-03 ppm1      7.198 ppm2      2.395 CV     1
 OR { 1174}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB2 ))
 ASSI { 1175}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 73   and name HB2 ))
      3.700     1.700     1.700 peak  1175 spectrum    1 weight  0.10000E+01 volume  0.70295E-03 ppm1      8.688 ppm2      1.552 CV     1
 ASSI { 1177}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 43   and name HD2 ))
      4.600     2.700     1.400 peak  1177 spectrum    1 weight  0.10000E+01 volume  0.70219E-03 ppm1      8.632 ppm2      1.317 CV     1
 OR { 1177}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 43   and name HD1 ))
 ASSI { 1181}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 99   and name HB2 ))
      3.900     1.900     1.900 peak  1181 spectrum    1 weight  0.10000E+01 volume  0.69872E-03 ppm1      9.230 ppm2      2.737 CV     1
 ASSI { 1183}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HA  ))
      3.400     1.400     1.400 peak  1183 spectrum    1 weight  0.10000E+01 volume  0.69849E-03 ppm1      8.888 ppm2      5.828 CV     1
 ASSI { 1184}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 105  and name HN  ))
      3.700     1.700     1.700 peak  1184 spectrum    1 weight  0.10000E+01 volume  0.69837E-03 ppm1      9.178 ppm2      8.396 CV     1
 ASSI { 1187}
   (( segid " 1SG" and resid 17   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      4.500     2.600     1.500 peak  1187 spectrum    1 weight  0.10000E+01 volume  0.69744E-03 ppm1      7.900 ppm2      1.179 CV     1
 ASSI { 1192}
   (( segid " 1SG" and resid 9    and name HN  ))
   (  segid " 1SG" and resid 7    and name HD% )
      4.100     2.100     1.900 peak  1192 spectrum    1 weight  0.10000E+01 volume  0.69513E-03 ppm1      7.892 ppm2      7.309 CV     1
 ASSI { 1193}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 96   and name HG1 ))
      4.700     2.700     1.300 peak  1193 spectrum    1 weight  0.10000E+01 volume  0.69240E-03 ppm1      7.973 ppm2      1.317 CV     1
 OR { 1193}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 96   and name HG2 ))
 ASSI { 1194}
   (( segid " 1SG" and resid 60   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD1%)
      4.400     2.400     1.600 peak  1194 spectrum    1 weight  0.10000E+01 volume  0.69032E-03 ppm1      8.688 ppm2      0.407 CV     1
 OR { 1194}
   (( segid " 1SG" and resid 60   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD2%)
 ASSI { 1198}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 76   and name HN  ))
      4.300     2.300     1.700 peak  1198 spectrum    1 weight  0.10000E+01 volume  0.68997E-03 ppm1      9.238 ppm2      8.919 CV     1
 ASSI { 1199}
   (( segid " 1SG" and resid 70   and name HN  ))
   (( segid " 1SG" and resid 29   and name HA  ))
      4.400     2.400     1.600 peak  1199 spectrum    1 weight  0.10000E+01 volume  0.68968E-03 ppm1      9.269 ppm2      4.385 CV     1
 ASSI { 1201}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 81   and name HA  ))
      5.300     3.500     0.700 peak  1201 spectrum    1 weight  0.10000E+01 volume  0.68829E-03 ppm1      8.150 ppm2      3.988 CV     1
 ASSI { 1205}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (  segid " 1SG" and resid 74   and name HD2%)
      4.100     2.100     1.900 peak  1205 spectrum    1 weight  0.10000E+01 volume  0.68701E-03 ppm1     10.782 ppm2      0.402 CV     1
 OR { 1205}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI { 1207}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 49   and name HB2 ))
      3.300     1.300     1.300 peak  1207 spectrum    1 weight  0.10000E+01 volume  0.68557E-03 ppm1      8.941 ppm2      1.554 CV     1
 ASSI { 1210}
   (( segid " 1SG" and resid 29   and name HN  ))
   (( segid " 1SG" and resid 28   and name HB  ))
      4.200     2.200     1.800 peak  1210 spectrum    1 weight  0.10000E+01 volume  0.68232E-03 ppm1      8.854 ppm2      1.961 CV     1
 ASSI { 1211}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 82   and name HN  ))
      3.500     1.500     1.500 peak  1211 spectrum    1 weight  0.10000E+01 volume  0.68215E-03 ppm1      8.254 ppm2      8.025 CV     1
 ASSI { 1213}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 43   and name HB2 ))
      4.100     2.100     1.900 peak  1213 spectrum    1 weight  0.10000E+01 volume  0.67850E-03 ppm1      8.211 ppm2      1.213 CV     1
 ASSI { 1214}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 15   and name HB1 ))
      4.700     2.700     1.300 peak  1214 spectrum    1 weight  0.10000E+01 volume  0.67815E-03 ppm1      8.404 ppm2      2.024 CV     1
 OR { 1214}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 15   and name HB2 ))
 ASSI { 1217}
   (( segid " 1SG" and resid 76   and name HN  ))
   (( segid " 1SG" and resid 77   and name HN  ))
      4.100     2.100     1.900 peak  1217 spectrum    1 weight  0.10000E+01 volume  0.67612E-03 ppm1      8.925 ppm2      8.720 CV     1
 ASSI { 1218}
   (( segid " 1SG" and resid 80   and name HE21))
   (( segid " 1SG" and resid 80   and name HA  ))
      3.700     1.700     1.700 peak  1218 spectrum    1 weight  0.10000E+01 volume  0.67491E-03 ppm1      6.979 ppm2      4.637 CV     1
 ASSI { 1219}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 26   and name HN  ))
      4.300     2.300     1.700 peak  1219 spectrum    1 weight  0.10000E+01 volume  0.67473E-03 ppm1      8.401 ppm2      9.500 CV     1
 ASSI { 1222}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 93   and name HB  ))
      4.000     2.000     2.000 peak  1222 spectrum    1 weight  0.10000E+01 volume  0.67218E-03 ppm1      7.972 ppm2      4.556 CV     1
 ASSI { 1224}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 68   and name HG2 ))
      5.000     3.100     1.000 peak  1224 spectrum    1 weight  0.10000E+01 volume  0.67137E-03 ppm1      7.423 ppm2      1.256 CV     1
 OR { 1224}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 68   and name HG1 ))
 ASSI { 1225}
   (( segid " 1SG" and resid 96   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD1%)
      4.200     2.200     1.800 peak  1225 spectrum    1 weight  0.10000E+01 volume  0.67085E-03 ppm1      7.544 ppm2      0.653 CV     1
 ASSI { 1226}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 60   and name HB2 ))
      3.800     1.800     1.800 peak  1226 spectrum    1 weight  0.10000E+01 volume  0.66940E-03 ppm1      9.449 ppm2      2.977 CV     1
 ASSI { 1228}
   (( segid " 1SG" and resid 108  and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.800     1.800     1.800 peak  1228 spectrum    1 weight  0.10000E+01 volume  0.66668E-03 ppm1      8.564 ppm2      0.370 CV     1
 ASSI { 1230}
   (( segid " 1SG" and resid 30   and name HN  ))
   (( segid " 1SG" and resid 70   and name HN  ))
      4.100     2.100     1.900 peak  1230 spectrum    1 weight  0.10000E+01 volume  0.66378E-03 ppm1      8.593 ppm2      9.275 CV     1
 ASSI { 1231}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 24   and name HN  ))
      4.300     2.400     1.700 peak  1231 spectrum    1 weight  0.10000E+01 volume  0.66361E-03 ppm1      8.400 ppm2      9.240 CV     1
 ASSI { 1232}
   (( segid " 1SG" and resid 83   and name HN  ))
   (  segid " 1SG" and resid 83   and name HE% )
      4.900     3.100     1.100 peak  1232 spectrum    1 weight  0.10000E+01 volume  0.66349E-03 ppm1      8.256 ppm2      7.263 CV     1
 ASSI { 1238}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 58   and name HG2 ))
      4.400     2.400     1.600 peak  1238 spectrum    1 weight  0.10000E+01 volume  0.65932E-03 ppm1      9.148 ppm2      1.803 CV     1
 ASSI { 1239}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 40   and name HD2 ))
      4.300     2.400     1.700 peak  1239 spectrum    1 weight  0.10000E+01 volume  0.65770E-03 ppm1      9.110 ppm2      1.698 CV     1
 OR { 1239}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 40   and name HD1 ))
 ASSI { 1241}
   (( segid " 1SG" and resid 108  and name HN  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      3.000     3.000     3.000 peak  1241 spectrum    1 weight  0.10000E+01 volume  0.65729E-03 ppm1      8.565 ppm2      1.285 CV     1
 ASSI { 1245}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 41   and name HD1 ))
      4.100     2.100     1.900 peak  1245 spectrum    1 weight  0.10000E+01 volume  0.65538E-03 ppm1      8.690 ppm2      7.122 CV     1
 ASSI { 1247}
   (( segid " 1SG" and resid 58   and name HE22))
   (( segid " 1SG" and resid 77   and name HB  ))
      4.400     2.400     1.600 peak  1247 spectrum    1 weight  0.10000E+01 volume  0.65469E-03 ppm1      6.686 ppm2      4.009 CV     1
 ASSI { 1249}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 7    and name HB2 ))
      3.000     3.000     3.000 peak  1249 spectrum    1 weight  0.10000E+01 volume  0.65393E-03 ppm1      9.229 ppm2      2.578 CV     1
 ASSI { 1250}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 77   and name HN  ))
      5.000     3.100     1.000 peak  1250 spectrum    1 weight  0.10000E+01 volume  0.65359E-03 ppm1      8.944 ppm2      8.717 CV     1
 ASSI { 1258}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 74   and name HN  ))
      4.400     2.400     1.600 peak  1258 spectrum    1 weight  0.10000E+01 volume  0.64878E-03 ppm1      9.450 ppm2      8.472 CV     1
 ASSI { 1260}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 42   and name HB2 ))
      4.700     2.700     1.300 peak  1260 spectrum    1 weight  0.10000E+01 volume  0.64768E-03 ppm1      9.287 ppm2      2.479 CV     1
 ASSI { 1263}
   (( segid " 1SG" and resid 73   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD2%)
      4.200     2.300     1.800 peak  1263 spectrum    1 weight  0.10000E+01 volume  0.64484E-03 ppm1      9.448 ppm2      0.742 CV     1
 ASSI { 1264}
   (( segid " 1SG" and resid 80   and name HE22))
   (( segid " 1SG" and resid 80   and name HA  ))
      5.200     3.400     0.800 peak  1264 spectrum    1 weight  0.10000E+01 volume  0.64368E-03 ppm1      6.643 ppm2      4.635 CV     1
 ASSI { 1268}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 89   and name HA  ))
      3.600     1.600     1.600 peak  1268 spectrum    1 weight  0.10000E+01 volume  0.64269E-03 ppm1      8.977 ppm2      4.944 CV     1
 ASSI { 1269}
   (( segid " 1SG" and resid 73   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD1%)
      4.000     2.000     2.000 peak  1269 spectrum    1 weight  0.10000E+01 volume  0.64258E-03 ppm1      9.452 ppm2      0.839 CV     1
 ASSI { 1270}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 57   and name HG  ))
      4.500     2.500     1.500 peak  1270 spectrum    1 weight  0.10000E+01 volume  0.64235E-03 ppm1      9.018 ppm2      0.750 CV     1
 ASSI { 1272}
   (( segid " 1SG" and resid 53   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD1%)
      5.200     3.300     0.800 peak  1272 spectrum    1 weight  0.10000E+01 volume  0.64153E-03 ppm1      6.765 ppm2      0.861 CV     1
 ASSI { 1273}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 98   and name HB2 ))
      4.700     2.800     1.300 peak  1273 spectrum    1 weight  0.10000E+01 volume  0.64107E-03 ppm1      9.229 ppm2      2.289 CV     1
 ASSI { 1274}
   (( segid " 1SG" and resid 16   and name HN  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      4.500     2.600     1.500 peak  1274 spectrum    1 weight  0.10000E+01 volume  0.64072E-03 ppm1      8.594 ppm2      1.286 CV     1
 ASSI { 1276}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 71   and name HA  ))
      4.100     2.100     1.900 peak  1276 spectrum    1 weight  0.10000E+01 volume  0.64014E-03 ppm1      9.674 ppm2      5.062 CV     1
 ASSI { 1277}
   (( segid " 1SG" and resid 76   and name HN  ))
   (( segid " 1SG" and resid 75   and name HN  ))
      4.000     2.000     2.000 peak  1277 spectrum    1 weight  0.10000E+01 volume  0.64003E-03 ppm1      8.928 ppm2      9.150 CV     1
 ASSI { 1285}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 17   and name HN  ))
      3.800     1.800     1.800 peak  1285 spectrum    1 weight  0.10000E+01 volume  0.63157E-03 ppm1      8.829 ppm2      7.897 CV     1
 ASSI { 1286}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 65   and name HA  ))
      4.200     2.200     1.800 peak  1286 spectrum    1 weight  0.10000E+01 volume  0.63157E-03 ppm1      7.422 ppm2      3.445 CV     1
 ASSI { 1287}
   (( segid " 1SG" and resid 22   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      4.300     2.300     1.700 peak  1287 spectrum    1 weight  0.10000E+01 volume  0.63151E-03 ppm1      8.892 ppm2      1.182 CV     1
 ASSI { 1288}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 67   and name HA  ))
      4.900     3.000     1.100 peak  1288 spectrum    1 weight  0.10000E+01 volume  0.63116E-03 ppm1      8.107 ppm2      4.299 CV     1
 ASSI { 1290}
   (( segid " 1SG" and resid 70   and name HN  ))
   (( segid " 1SG" and resid 28   and name HB  ))
      3.700     1.700     1.700 peak  1290 spectrum    1 weight  0.10000E+01 volume  0.63093E-03 ppm1      9.273 ppm2      1.954 CV     1
 ASSI { 1292}
   (( segid " 1SG" and resid 101  and name HD22))
   (( segid " 1SG" and resid 101  and name HB2 ))
      4.400     2.500     1.600 peak  1292 spectrum    1 weight  0.10000E+01 volume  0.62879E-03 ppm1      6.724 ppm2      2.692 CV     1
 ASSI { 1295}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 83   and name HA  ))
      3.800     1.800     1.800 peak  1295 spectrum    1 weight  0.10000E+01 volume  0.62624E-03 ppm1     10.109 ppm2      4.613 CV     1
 ASSI { 1296}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB1 ))
      4.500     2.500     1.500 peak  1296 spectrum    1 weight  0.10000E+01 volume  0.62618E-03 ppm1      9.024 ppm2      2.399 CV     1
 OR { 1296}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB2 ))
 ASSI { 1298}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 37   and name HB2 ))
      4.500     2.600     1.500 peak  1298 spectrum    1 weight  0.10000E+01 volume  0.62566E-03 ppm1      8.737 ppm2      1.365 CV     1
 OR { 1298}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 37   and name HG2 ))
 ASSI { 1299}
   (( segid " 1SG" and resid 7    and name HN  ))
   (  segid " 1SG" and resid 6    and name HD1%)
      4.600     2.600     1.400 peak  1299 spectrum    1 weight  0.10000E+01 volume  0.62549E-03 ppm1      8.875 ppm2      0.650 CV     1
 ASSI { 1301}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 106  and name HN  ))
      4.400     2.400     1.600 peak  1301 spectrum    1 weight  0.10000E+01 volume  0.62531E-03 ppm1      8.826 ppm2      8.159 CV     1
 ASSI { 1302}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 84   and name HA  ))
      3.900     1.900     1.900 peak  1302 spectrum    1 weight  0.10000E+01 volume  0.62404E-03 ppm1      8.799 ppm2      4.230 CV     1
 OR { 1302}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 84   and name HB  ))
 ASSI { 1306}
   (( segid " 1SG" and resid 40   and name HN  ))
   (  segid " 1SG" and resid 38   and name HG2%)
      4.400     2.400     1.600 peak  1306 spectrum    1 weight  0.10000E+01 volume  0.62050E-03 ppm1      8.688 ppm2      0.784 CV     1
 ASSI { 1309}
   (( segid " 1SG" and resid 48   and name HN  ))
   (( segid " 1SG" and resid 47   and name HN  ))
      4.300     2.300     1.700 peak  1309 spectrum    1 weight  0.10000E+01 volume  0.61848E-03 ppm1      8.396 ppm2      7.292 CV     1
 ASSI { 1310}
   (( segid " 1SG" and resid 93   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD1%)
      4.200     2.200     1.800 peak  1310 spectrum    1 weight  0.10000E+01 volume  0.61836E-03 ppm1      8.555 ppm2      0.652 CV     1
 ASSI { 1311}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 46   and name HB2 ))
      4.300     2.400     1.700 peak  1311 spectrum    1 weight  0.10000E+01 volume  0.61801E-03 ppm1     10.115 ppm2      3.057 CV     1
 ASSI { 1312}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      4.300     2.300     1.700 peak  1312 spectrum    1 weight  0.10000E+01 volume  0.61674E-03 ppm1      9.149 ppm2      1.436 CV     1
 ASSI { 1314}
   (( segid " 1SG" and resid 42   and name HN  ))
   (( segid " 1SG" and resid 41   and name HN  ))
      4.600     2.600     1.400 peak  1314 spectrum    1 weight  0.10000E+01 volume  0.61523E-03 ppm1      9.445 ppm2      9.310 CV     1
 ASSI { 1315}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 101  and name HA  ))
      4.200     2.200     1.800 peak  1315 spectrum    1 weight  0.10000E+01 volume  0.61512E-03 ppm1      8.979 ppm2      5.507 CV     1
 ASSI { 1317}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 45   and name HA  ))
      4.700     2.800     1.300 peak  1317 spectrum    1 weight  0.10000E+01 volume  0.61291E-03 ppm1     10.118 ppm2      3.497 CV     1
 ASSI { 1319}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 57   and name HA  ))
      4.100     2.100     1.900 peak  1319 spectrum    1 weight  0.10000E+01 volume  0.61199E-03 ppm1      9.150 ppm2      5.401 CV     1
 ASSI { 1320}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 45   and name HE2 ))
      4.000     2.000     2.000 peak  1320 spectrum    1 weight  0.10000E+01 volume  0.61175E-03 ppm1     10.108 ppm2      2.594 CV     1
 ASSI { 1323}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 58   and name HA  ))
      3.900     1.900     1.900 peak  1323 spectrum    1 weight  0.10000E+01 volume  0.61013E-03 ppm1      7.436 ppm2      4.650 CV     1
 ASSI { 1325}
   (( segid " 1SG" and resid 10   and name HN  ))
   (( segid " 1SG" and resid 10   and name HA  ))
      3.600     1.600     1.600 peak  1325 spectrum    1 weight  0.10000E+01 volume  0.60822E-03 ppm1      8.852 ppm2      4.315 CV     1
 ASSI { 1332}
   (( segid " 1SG" and resid 80   and name HN  ))
   (( segid " 1SG" and resid 80   and name HG1 ))
      4.600     2.700     1.400 peak  1332 spectrum    1 weight  0.10000E+01 volume  0.60440E-03 ppm1      5.579 ppm2      2.159 CV     1
 OR { 1332}
   (( segid " 1SG" and resid 80   and name HN  ))
   (( segid " 1SG" and resid 80   and name HG2 ))
 ASSI { 1333}
   (( segid " 1SG" and resid 21   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      4.200     2.200     1.800 peak  1333 spectrum    1 weight  0.10000E+01 volume  0.60364E-03 ppm1      8.168 ppm2      1.177 CV     1
 ASSI { 1335}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 89   and name HA  ))
      4.400     2.400     1.600 peak  1335 spectrum    1 weight  0.10000E+01 volume  0.60220E-03 ppm1      8.689 ppm2      4.943 CV     1
 ASSI { 1341}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 88   and name HA  ))
      3.400     1.500     1.500 peak  1341 spectrum    1 weight  0.10000E+01 volume  0.59634E-03 ppm1      9.108 ppm2      5.308 CV     1
 ASSI { 1347}
   (( segid " 1SG" and resid 29   and name HN  ))
   (( segid " 1SG" and resid 30   and name HN  ))
      3.400     1.400     1.400 peak  1347 spectrum    1 weight  0.10000E+01 volume  0.36402E-02 ppm1      8.854 ppm2      8.595 CV     1
 ASSI { 1348}
   (( segid " 1SG" and resid 102  and name HN  ))
   (( segid " 1SG" and resid 103  and name HN  ))
      3.200     1.200     1.200 peak  1348 spectrum    1 weight  0.10000E+01 volume  0.36421E-02 ppm1      8.557 ppm2      9.245 CV     1
 ASSI { 1349}
   (( segid " 1SG" and resid 42   and name HN  ))
   (( segid " 1SG" and resid 42   and name HA  ))
      2.700     0.900     0.900 peak  1349 spectrum    1 weight  0.10000E+01 volume  0.36402E-02 ppm1      9.447 ppm2      5.780 CV     1
 ASSI { 1351}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 14   and name HN  ))
      3.400     1.400     1.400 peak  1351 spectrum    1 weight  0.10000E+01 volume  0.36402E-02 ppm1      8.317 ppm2      9.191 CV     1
 ASSI { 1352}
   (( segid " 1SG" and resid 94   and name HN  ))
   (( segid " 1SG" and resid 94   and name HB2 ))
      3.200     1.300     1.300 peak  1352 spectrum    1 weight  0.10000E+01 volume  0.36402E-02 ppm1      8.330 ppm2      1.778 CV     1
 ASSI { 1353}
   (( segid " 1SG" and resid 93   and name HN  ))
   (( segid " 1SG" and resid 93   and name HB  ))
      2.700     0.900     0.900 peak  1353 spectrum    1 weight  0.10000E+01 volume  0.36402E-02 ppm1      8.558 ppm2      4.550 CV     1
 ASSI { 1356}
   (( segid " 1SG" and resid 56   and name HN  ))
   (( segid " 1SG" and resid 56   and name HA  ))
      2.800     1.000     1.000 peak  1356 spectrum    1 weight  0.10000E+01 volume  0.36402E-02 ppm1      8.385 ppm2      4.970 CV     1
 ASSI { 1358}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 8    and name HN  ))
      2.600     0.900     0.900 peak  1358 spectrum    1 weight  0.10000E+01 volume  0.36402E-02 ppm1      7.892 ppm2      9.052 CV     1
 ASSI { 1360}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 98   and name HN  ))
      3.300     1.400     1.400 peak  1360 spectrum    1 weight  0.10000E+01 volume  0.36402E-02 ppm1      8.056 ppm2      8.423 CV     1
 ASSI { 1362}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 96   and name HN  ))
      3.100     1.200     1.200 peak  1362 spectrum    1 weight  0.10000E+01 volume  0.36402E-02 ppm1      8.059 ppm2      7.543 CV     1
 ASSI { 1363}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB2 ))
      3.900     1.900     1.900 peak  1363 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      9.288 ppm2      1.696 CV     1
 OR { 1363}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB1 ))
 ASSI { 1365}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 35   and name HB1 ))
      3.200     1.200     1.200 peak  1365 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      7.510 ppm2      1.779 CV     1
 OR { 1365}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 35   and name HB2 ))
 ASSI { 1366}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 35   and name HE1 ))
      3.600     1.600     1.600 peak  1366 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      7.510 ppm2      2.950 CV     1
 OR { 1366}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 35   and name HE2 ))
 ASSI { 1369}
   (( segid " 1SG" and resid 45   and name HN  ))
   (( segid " 1SG" and resid 45   and name HB2 ))
      2.500     0.800     0.800 peak  1369 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      8.195 ppm2      0.606 CV     1
 OR { 1369}
   (( segid " 1SG" and resid 45   and name HN  ))
   (( segid " 1SG" and resid 45   and name HG2 ))
 ASSI { 1371}
   (( segid " 1SG" and resid 94   and name HN  ))
   (( segid " 1SG" and resid 94   and name HA  ))
      2.600     0.800     0.800 peak  1371 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      8.337 ppm2      4.042 CV     1
 ASSI { 1373}
   (( segid " 1SG" and resid 18   and name HN  ))
   (  segid " 1SG" and resid 18   and name HG1%)
      3.300     1.400     1.400 peak  1373 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      8.005 ppm2      0.992 CV     1
 ASSI { 1374}
   (( segid " 1SG" and resid 53   and name HN  ))
   (  segid " 1SG" and resid 53   and name HG1%)
      3.400     1.500     1.500 peak  1374 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      6.764 ppm2      1.120 CV     1
 ASSI { 1376}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 21   and name HB2 ))
      3.700     1.700     1.700 peak  1376 spectrum    1 weight  0.10000E+01 volume  0.36421E-02 ppm1      8.053 ppm2      3.751 CV     1
 ASSI { 1379}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 62   and name HN  ))
      3.600     1.600     1.600 peak  1379 spectrum    1 weight  0.10000E+01 volume  0.36402E-02 ppm1      9.447 ppm2      8.851 CV     1
 ASSI { 1380}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 64   and name HN  ))
      3.200     1.300     1.300 peak  1380 spectrum    1 weight  0.10000E+01 volume  0.36402E-02 ppm1      8.721 ppm2      7.751 CV     1
 ASSI { 1381}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 87   and name HN  ))
      3.000     1.100     1.100 peak  1381 spectrum    1 weight  0.10000E+01 volume  0.36402E-02 ppm1      8.792 ppm2      9.113 CV     1
 ASSI { 1382}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 103  and name HN  ))
      3.300     1.300     1.300 peak  1382 spectrum    1 weight  0.10000E+01 volume  0.36402E-02 ppm1      8.792 ppm2      9.235 CV     1
 ASSI { 1384}
   (( segid " 1SG" and resid 98   and name HN  ))
   (( segid " 1SG" and resid 98   and name HA  ))
      2.800     1.000     1.000 peak  1384 spectrum    1 weight  0.10000E+01 volume  0.36402E-02 ppm1      8.417 ppm2      4.696 CV     1
 ASSI { 1385}
   (( segid " 1SG" and resid 80   and name HN  ))
   (( segid " 1SG" and resid 80   and name HA  ))
      2.700     0.900     0.900 peak  1385 spectrum    1 weight  0.10000E+01 volume  0.36402E-02 ppm1      5.581 ppm2      4.644 CV     1
 ASSI { 1386}
   (( segid " 1SG" and resid 12   and name HN  ))
   (( segid " 1SG" and resid 12   and name HA  ))
      2.800     0.900     0.900 peak  1386 spectrum    1 weight  0.10000E+01 volume  0.36402E-02 ppm1      8.345 ppm2      4.679 CV     1
 ASSI { 1391}
   (( segid " 1SG" and resid 101  and name HN  ))
   (( segid " 1SG" and resid 101  and name HA  ))
      2.700     0.900     0.900 peak  1391 spectrum    1 weight  0.10000E+01 volume  0.36402E-02 ppm1      9.044 ppm2      5.506 CV     1
 ASSI { 1393}
   (( segid " 1SG" and resid 91   and name HN  ))
   (( segid " 1SG" and resid 90   and name HA  ))
      2.600     0.800     0.800 peak  1393 spectrum    1 weight  0.10000E+01 volume  0.36402E-02 ppm1      8.474 ppm2      4.789 CV     1
 ASSI { 1395}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 49   and name HN  ))
      2.800     1.000     1.000 peak  1395 spectrum    1 weight  0.10000E+01 volume  0.36402E-02 ppm1      8.632 ppm2      9.291 CV     1
 ASSI { 1397}
   (( segid " 1SG" and resid 33   and name HN  ))
   (( segid " 1SG" and resid 33   and name HA  ))
      2.800     0.900     0.900 peak  1397 spectrum    1 weight  0.10000E+01 volume  0.36402E-02 ppm1      7.614 ppm2      4.456 CV     1
 ASSI { 1398}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 40   and name HN  ))
      3.300     1.400     1.400 peak  1398 spectrum    1 weight  0.10000E+01 volume  0.36402E-02 ppm1      9.308 ppm2      8.696 CV     1
 ASSI { 1399}
   (( segid " 1SG" and resid 6    and name HN  ))
   (( segid " 1SG" and resid 5    and name HN  ))
      2.400     0.700     0.700 peak  1399 spectrum    1 weight  0.10000E+01 volume  0.36421E-02 ppm1      8.450 ppm2      8.143 CV     1
 ASSI { 1400}
   (( segid " 1SG" and resid 8    and name HN  ))
   (( segid " 1SG" and resid 29   and name HN  ))
      2.800     1.000     1.000 peak  1400 spectrum    1 weight  0.10000E+01 volume  0.36421E-02 ppm1      9.053 ppm2      8.853 CV     1
 ASSI { 1401}
   (( segid " 1SG" and resid 7    and name HN  ))
   (( segid " 1SG" and resid 8    and name HN  ))
      3.000     1.200     1.200 peak  1401 spectrum    1 weight  0.10000E+01 volume  0.36421E-02 ppm1      8.874 ppm2      9.052 CV     1
 ASSI { 1403}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 103  and name HN  ))
      3.300     1.300     1.300 peak  1403 spectrum    1 weight  0.10000E+01 volume  0.36421E-02 ppm1      8.312 ppm2      9.240 CV     1
 ASSI { 1406}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 48   and name HN  ))
      3.200     1.300     1.300 peak  1406 spectrum    1 weight  0.10000E+01 volume  0.36421E-02 ppm1      9.290 ppm2      8.397 CV     1
 ASSI { 1407}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 50   and name HN  ))
      3.300     1.300     1.300 peak  1407 spectrum    1 weight  0.10000E+01 volume  0.36421E-02 ppm1      7.786 ppm2      8.941 CV     1
 ASSI { 1408}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 51   and name HN  ))
      3.500     1.500     1.500 peak  1408 spectrum    1 weight  0.10000E+01 volume  0.36421E-02 ppm1      6.764 ppm2      7.881 CV     1
 ASSI { 1409}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 51   and name HA  ))
      3.000     1.100     1.100 peak  1409 spectrum    1 weight  0.10000E+01 volume  0.36421E-02 ppm1      7.784 ppm2      4.557 CV     1
 ASSI { 1411}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 58   and name HN  ))
      3.100     1.200     1.200 peak  1411 spectrum    1 weight  0.10000E+01 volume  0.36421E-02 ppm1      7.198 ppm2      8.954 CV     1
 ASSI { 1412}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 60   and name HN  ))
      3.200     1.300     1.300 peak  1412 spectrum    1 weight  0.10000E+01 volume  0.36421E-02 ppm1      9.151 ppm2      8.693 CV     1
 ASSI { 1413}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 64   and name HN  ))
      3.400     1.400     1.400 peak  1413 spectrum    1 weight  0.10000E+01 volume  0.36421E-02 ppm1      8.305 ppm2      7.754 CV     1
 ASSI { 1414}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 70   and name HN  ))
      3.200     1.300     1.300 peak  1414 spectrum    1 weight  0.10000E+01 volume  0.36421E-02 ppm1      8.724 ppm2      9.271 CV     1
 ASSI { 1417}
   (( segid " 1SG" and resid 72   and name HN  ))
   (( segid " 1SG" and resid 28   and name HN  ))
      3.500     1.500     1.500 peak  1417 spectrum    1 weight  0.10000E+01 volume  0.36421E-02 ppm1      9.295 ppm2      9.670 CV     1
 ASSI { 1419}
   (( segid " 1SG" and resid 76   and name HN  ))
   (( segid " 1SG" and resid 76   and name HA  ))
      2.600     0.800     0.800 peak  1419 spectrum    1 weight  0.10000E+01 volume  0.36421E-02 ppm1      8.925 ppm2      4.988 CV     1
 ASSI { 1420}
   (( segid " 1SG" and resid 84   and name HN  ))
   (( segid " 1SG" and resid 83   and name HA  ))
      2.800     1.000     1.000 peak  1420 spectrum    1 weight  0.10000E+01 volume  0.36421E-02 ppm1      7.866 ppm2      4.601 CV     1
 ASSI { 1422}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 100  and name HN  ))
      2.700     0.900     0.900 peak  1422 spectrum    1 weight  0.10000E+01 volume  0.36421E-02 ppm1      8.979 ppm2      8.906 CV     1
 ASSI { 1423}
   (( segid " 1SG" and resid 91   and name HN  ))
   (( segid " 1SG" and resid 91   and name HA  ))
      2.600     0.800     0.800 peak  1423 spectrum    1 weight  0.10000E+01 volume  0.36421E-02 ppm1      8.474 ppm2      4.739 CV     1
 ASSI { 1426}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 15   and name HA  ))
      2.600     0.800     0.800 peak  1426 spectrum    1 weight  0.10000E+01 volume  0.36421E-02 ppm1      8.399 ppm2      5.489 CV     1
 ASSI { 1428}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 104  and name HN  ))
      3.200     1.300     1.300 peak  1428 spectrum    1 weight  0.10000E+01 volume  0.36421E-02 ppm1      8.400 ppm2      8.792 CV     1
 ASSI { 1429}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 105  and name HN  ))
      3.000     1.200     1.200 peak  1429 spectrum    1 weight  0.10000E+01 volume  0.36421E-02 ppm1      8.150 ppm2      8.402 CV     1
 ASSI { 1430}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 85   and name HN  ))
      3.100     1.200     1.200 peak  1430 spectrum    1 weight  0.10000E+01 volume  0.36421E-02 ppm1      8.149 ppm2      9.408 CV     1
 ASSI { 1433}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 106  and name HA  ))
      2.600     0.800     0.800 peak  1433 spectrum    1 weight  0.10000E+01 volume  0.36421E-02 ppm1      8.151 ppm2      4.725 CV     1
 ASSI { 1434}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 65   and name HA  ))
      3.100     1.200     1.200 peak  1434 spectrum    1 weight  0.10000E+01 volume  0.36421E-02 ppm1      6.900 ppm2      3.449 CV     1
 ASSI { 1435}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 78   and name HN  ))
      3.800     1.800     1.800 peak  1435 spectrum    1 weight  0.10000E+01 volume  0.36421E-02 ppm1      8.889 ppm2      8.054 CV     1
 ASSI { 1437}
   (( segid " 1SG" and resid 19   and name HN  ))
   (( segid " 1SG" and resid 20   and name HA1 ))
      3.800     1.800     1.800 peak  1437 spectrum    1 weight  0.10000E+01 volume  0.36421E-02 ppm1      9.827 ppm2      3.729 CV     1
 ASSI { 1438}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 37   and name HA  ))
      3.200     1.300     1.300 peak  1438 spectrum    1 weight  0.10000E+01 volume  0.36421E-02 ppm1      8.735 ppm2      4.487 CV     1
 ASSI { 1439}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 39   and name HA  ))
      3.300     1.300     1.300 peak  1439 spectrum    1 weight  0.10000E+01 volume  0.36421E-02 ppm1      8.735 ppm2      4.801 CV     1
 ASSI { 1440}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 43   and name HA  ))
      3.100     1.200     1.200 peak  1440 spectrum    1 weight  0.10000E+01 volume  0.36421E-02 ppm1      9.108 ppm2      4.132 CV     1
 ASSI { 1441}
   (( segid " 1SG" and resid 86   and name HN  ))
   (( segid " 1SG" and resid 103  and name HA  ))
      3.200     1.300     1.300 peak  1441 spectrum    1 weight  0.10000E+01 volume  0.36421E-02 ppm1      7.948 ppm2      5.544 CV     1
 ASSI { 1442}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 48   and name HA  ))
      2.500     0.800     0.800 peak  1442 spectrum    1 weight  0.10000E+01 volume  0.36421E-02 ppm1      8.628 ppm2      4.192 CV     1
 ASSI { 1443}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 86   and name HA2 ))
      3.200     1.300     1.300 peak  1443 spectrum    1 weight  0.10000E+01 volume  0.36421E-02 ppm1      8.796 ppm2      4.658 CV     1
 ASSI { 1445}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 102  and name HA  ))
      3.000     1.100     1.100 peak  1445 spectrum    1 weight  0.10000E+01 volume  0.36421E-02 ppm1      8.313 ppm2      4.987 CV     1
 ASSI { 1446}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 9    and name HB2 ))
      2.900     1.000     1.000 peak  1446 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      7.887 ppm2      1.892 CV     1
 ASSI { 1447}
   (( segid " 1SG" and resid 80   and name HN  ))
   (( segid " 1SG" and resid 80   and name HB2 ))
      2.600     0.900     0.900 peak  1447 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      5.579 ppm2      1.960 CV     1
 OR { 1447}
   (( segid " 1SG" and resid 80   and name HN  ))
   (( segid " 1SG" and resid 80   and name HB1 ))
 ASSI { 1448}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 23   and name HN  ))
      3.200     1.200     1.200 peak  1448 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      9.239 ppm2      7.917 CV     1
 ASSI { 1449}
   (( segid " 1SG" and resid 42   and name HN  ))
   (( segid " 1SG" and resid 41   and name HD1 ))
      3.700     3.700     2.300 peak  1449 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      9.447 ppm2      7.131 CV     1
 ASSI { 1450}
   (( segid " 1SG" and resid 46   and name HN  ))
   (( segid " 1SG" and resid 46   and name HD1 ))
      2.600     0.800     0.800 peak  1450 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      8.216 ppm2      7.132 CV     1
 ASSI { 1452}
   (( segid " 1SG" and resid 56   and name HN  ))
   (( segid " 1SG" and resid 56   and name HB2 ))
      3.300     1.300     1.300 peak  1452 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      8.383 ppm2      3.101 CV     1
 ASSI { 1453}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 103  and name HB2 ))
      3.100     3.100     2.900 peak  1453 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      9.184 ppm2      2.498 CV     1
 ASSI { 1455}
   (( segid " 1SG" and resid 86   and name HN  ))
   (  segid " 1SG" and resid 87   and name HD% )
      3.000     1.100     1.100 peak  1455 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      7.948 ppm2      6.794 CV     1
 ASSI { 1456}
   (( segid " 1SG" and resid 86   and name HN  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      3.000     3.000     3.000 peak  1456 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      7.946 ppm2      1.498 CV     1
 ASSI { 1458}
   (( segid " 1SG" and resid 5    and name HN  ))
   (( segid " 1SG" and resid 96   and name HB2 ))
      3.200     3.200     2.800 peak  1458 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      8.144 ppm2      1.572 CV     1
 ASSI { 1459}
   (( segid " 1SG" and resid 5    and name HN  ))
   (( segid " 1SG" and resid 4    and name HG12))
      3.600     1.600     1.600 peak  1459 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      8.143 ppm2      1.230 CV     1
 ASSI { 1460}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 64   and name HB2 ))
      2.900     1.100     1.100 peak  1460 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      7.421 ppm2      2.339 CV     1
 ASSI { 1461}
   (( segid " 1SG" and resid 20   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.500     1.500     1.500 peak  1461 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      8.824 ppm2      0.376 CV     1
 ASSI { 1462}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 18   and name HN  ))
      3.400     1.400     1.400 peak  1462 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      8.828 ppm2      8.005 CV     1
 ASSI { 1463}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 63   and name HN  ))
      3.200     1.300     1.300 peak  1463 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      8.848 ppm2      8.521 CV     1
 ASSI { 1465}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 95   and name HB2 ))
      2.500     0.800     0.800 peak  1465 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      7.971 ppm2      2.631 CV     1
 ASSI { 1466}
   (( segid " 1SG" and resid 95   and name HN  ))
   (  segid " 1SG" and resid 93   and name HG2%)
      2.300     2.300     3.700 peak  1466 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      7.969 ppm2      1.024 CV     1
 ASSI { 1468}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 80   and name HG2 ))
      2.700     0.900     0.900 peak  1468 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      8.254 ppm2      2.168 CV     1
 OR { 1468}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 80   and name HG1 ))
 ASSI { 1469}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 106  and name HB  ))
      3.400     1.400     1.400 peak  1469 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      8.253 ppm2      1.861 CV     1
 ASSI { 1471}
   (( segid " 1SG" and resid 83   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.300     1.400     1.400 peak  1471 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      8.254 ppm2      0.372 CV     1
 ASSI { 1472}
   (( segid " 1SG" and resid 93   and name HN  ))
   (  segid " 1SG" and resid 97   and name HD% )
      3.200     1.300     1.300 peak  1472 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      8.557 ppm2      7.094 CV     1
 ASSI { 1473}
   (( segid " 1SG" and resid 93   and name HN  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      2.900     1.100     1.100 peak  1473 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      8.557 ppm2      0.177 CV     1
 ASSI { 1476}
   (( segid " 1SG" and resid 85   and name HN  ))
   (( segid " 1SG" and resid 104  and name HB2 ))
      3.400     1.400     1.400 peak  1476 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      9.406 ppm2      1.227 CV     1
 ASSI { 1477}
   (( segid " 1SG" and resid 85   and name HN  ))
   (( segid " 1SG" and resid 103  and name HA  ))
      3.400     3.400     2.600 peak  1477 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      9.405 ppm2      5.536 CV     1
 ASSI { 1478}
   (( segid " 1SG" and resid 25   and name HN  ))
   (  segid " 1SG" and resid 23   and name HG2%)
      3.200     1.300     1.300 peak  1478 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      8.401 ppm2      0.771 CV     1
 ASSI { 1480}
   (( segid " 1SG" and resid 44   and name HN  ))
   (  segid " 1SG" and resid 87   and name HD% )
      2.700     0.900     0.900 peak  1480 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      8.211 ppm2      6.801 CV     1
 ASSI { 1482}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 43   and name HD1 ))
      3.500     1.500     1.500 peak  1482 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      8.212 ppm2      1.314 CV     1
 OR { 1482}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 43   and name HD2 ))
 ASSI { 1484}
   (( segid " 1SG" and resid 51   and name HN  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      3.100     1.200     1.200 peak  1484 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      7.879 ppm2      1.071 CV     1
 ASSI { 1485}
   (( segid " 1SG" and resid 51   and name HN  ))
   (( segid " 1SG" and resid 52   and name HB2 ))
      3.500     1.500     1.500 peak  1485 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      7.881 ppm2      1.710 CV     1
 ASSI { 1486}
   (( segid " 1SG" and resid 7    and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.500     1.500     1.500 peak  1486 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      8.875 ppm2      0.469 CV     1
 ASSI { 1488}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 48   and name HB2 ))
      3.000     1.200     1.200 peak  1488 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      8.940 ppm2      2.935 CV     1
 ASSI { 1489}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 51   and name HA  ))
      3.400     1.500     1.500 peak  1489 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      8.941 ppm2      4.555 CV     1
 ASSI { 1490}
   (( segid " 1SG" and resid 69   and name HN  ))
   (  segid " 1SG" and resid 63   and name HD% )
      3.000     3.000     3.000 peak  1490 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      6.899 ppm2      5.903 CV     1
 ASSI { 1491}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 67   and name HA  ))
      3.300     1.400     1.400 peak  1491 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      6.897 ppm2      4.292 CV     1
 ASSI { 1494}
   (( segid " 1SG" and resid 83   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      3.500     1.600     1.600 peak  1494 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      8.257 ppm2      1.183 CV     1
 ASSI { 1495}
   (( segid " 1SG" and resid 70   and name HN  ))
   (  segid " 1SG" and resid 28   and name HG2%)
      3.300     1.400     1.400 peak  1495 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      9.272 ppm2      0.629 CV     1
 ASSI { 1497}
   (( segid " 1SG" and resid 70   and name HN  ))
   (  segid " 1SG" and resid 70   and name HE% )
      3.400     1.400     1.400 peak  1497 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      9.270 ppm2      6.632 CV     1
 ASSI { 1498}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 100  and name HN  ))
      3.300     1.400     1.400 peak  1498 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      9.228 ppm2      8.896 CV     1
 ASSI { 1499}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 98   and name HN  ))
      3.300     1.300     1.300 peak  1499 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      9.228 ppm2      8.427 CV     1
 ASSI { 1501}
   (( segid " 1SG" and resid 80   and name HN  ))
   (  segid " 1SG" and resid 83   and name HE% )
      3.100     1.200     1.200 peak  1501 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      5.580 ppm2      7.264 CV     1
 ASSI { 1503}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 34   and name HN  ))
      2.500     0.800     0.800 peak  1503 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      7.510 ppm2      8.687 CV     1
 ASSI { 1504}
   (( segid " 1SG" and resid 92   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.100     1.200     1.200 peak  1504 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      8.734 ppm2      0.473 CV     1
 ASSI { 1505}
   (( segid " 1SG" and resid 92   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG1%)
      2.300     2.300     3.700 peak  1505 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      8.735 ppm2     -0.083 CV     1
 ASSI { 1507}
   (( segid " 1SG" and resid 42   and name HN  ))
   (  segid " 1SG" and resid 49   and name HD2%)
      3.400     1.500     1.500 peak  1507 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      9.445 ppm2      1.011 CV     1
 ASSI { 1510}
   (( segid " 1SG" and resid 42   and name HN  ))
   (( segid " 1SG" and resid 41   and name HB2 ))
      3.400     1.400     1.400 peak  1510 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      9.448 ppm2      3.149 CV     1
 ASSI { 1511}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 103  and name HD21))
      2.900     1.100     1.100 peak  1511 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      9.241 ppm2      7.722 CV     1
 ASSI { 1513}
   (( segid " 1SG" and resid 79   and name HN  ))
   (  segid " 1SG" and resid 83   and name HE% )
      3.500     3.500     2.500 peak  1513 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      8.973 ppm2      7.265 CV     1
 ASSI { 1514}
   (( segid " 1SG" and resid 79   and name HN  ))
   (  segid " 1SG" and resid 83   and name HD% )
      3.700     1.700     1.700 peak  1514 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      8.973 ppm2      7.109 CV     1
 ASSI { 1515}
   (( segid " 1SG" and resid 79   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.200     1.300     1.300 peak  1515 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      8.973 ppm2      0.382 CV     1
 ASSI { 1518}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HD1 ))
      3.400     1.400     1.400 peak  1518 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      8.896 ppm2      3.106 CV     1
 OR { 1518}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HD2 ))
 ASSI { 1519}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 9    and name HG2 ))
      3.100     1.200     1.200 peak  1519 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      8.892 ppm2      2.504 CV     1
 ASSI { 1520}
   (( segid " 1SG" and resid 100  and name HN  ))
   (( segid " 1SG" and resid 89   and name HB2 ))
      3.000     1.100     1.100 peak  1520 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      8.895 ppm2      2.307 CV     1
 ASSI { 1521}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HG2 ))
      2.700     0.900     0.900 peak  1521 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      8.890 ppm2      1.675 CV     1
 OR { 1521}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HG1 ))
 ASSI { 1522}
   (( segid " 1SG" and resid 27   and name HN  ))
   (  segid " 1SG" and resid 28   and name HG2%)
      2.900     2.900     3.100 peak  1522 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      8.891 ppm2      0.632 CV     1
 ASSI { 1523}
   (( segid " 1SG" and resid 94   and name HN  ))
   (( segid " 1SG" and resid 93   and name HB  ))
      2.600     0.800     0.800 peak  1523 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      8.338 ppm2      4.555 CV     1
 ASSI { 1526}
   (( segid " 1SG" and resid 17   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.100     3.100     2.900 peak  1526 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      7.898 ppm2      0.371 CV     1
 ASSI { 1527}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 61   and name HB2 ))
      3.700     3.700     2.300 peak  1527 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      9.450 ppm2      2.295 CV     1
 ASSI { 1530}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 60   and name HA  ))
      3.000     3.000     3.000 peak  1530 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      9.450 ppm2      5.073 CV     1
 ASSI { 1534}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 16   and name HB  ))
      3.400     3.400     2.600 peak  1534 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      8.502 ppm2      1.802 CV     1
 ASSI { 1535}
   (( segid " 1SG" and resid 38   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG2%)
      3.000     1.200     1.200 peak  1535 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      8.374 ppm2     -0.453 CV     1
 ASSI { 1537}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 68   and name HA  ))
      3.900     1.900     1.900 peak  1537 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      8.106 ppm2      3.600 CV     1
 ASSI { 1538}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 65   and name HD1 ))
      3.000     3.000     3.000 peak  1538 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      8.106 ppm2      3.228 CV     1
 OR { 1538}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 65   and name HD2 ))
 ASSI { 1539}
   (( segid " 1SG" and resid 84   and name HN  ))
   (  segid " 1SG" and resid 83   and name HD% )
      3.400     1.500     1.500 peak  1539 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      7.866 ppm2      7.112 CV     1
 ASSI { 1540}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 74   and name HA  ))
      3.400     1.400     1.400 peak  1540 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      8.940 ppm2      4.324 CV     1
 ASSI { 1542}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 22   and name HG12))
      3.500     1.500     1.500 peak  1542 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      8.888 ppm2      0.075 CV     1
 ASSI { 1543}
   (( segid " 1SG" and resid 104  and name HN  ))
   (  segid " 1SG" and resid 106  and name HG1%)
      3.300     3.300     2.700 peak  1543 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      8.793 ppm2      0.667 CV     1
 ASSI { 1549}
   (( segid " 1SG" and resid 26   and name HN  ))
   (( segid " 1SG" and resid 27   and name HN  ))
      3.200     1.300     1.300 peak  1549 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      9.498 ppm2      8.892 CV     1
 ASSI { 1550}
   (( segid " 1SG" and resid 26   and name HN  ))
   (  segid " 1SG" and resid 72   and name HD% )
      3.400     3.400     2.600 peak  1550 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      9.498 ppm2      7.311 CV     1
 ASSI { 1552}
   (( segid " 1SG" and resid 41   and name HN  ))
   (  segid " 1SG" and resid 49   and name HD2%)
      3.700     1.700     1.700 peak  1552 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      9.306 ppm2      1.018 CV     1
 ASSI { 1553}
   (( segid " 1SG" and resid 41   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD1%)
      3.200     1.300     1.300 peak  1553 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      9.307 ppm2      0.856 CV     1
 ASSI { 1554}
   (( segid " 1SG" and resid 41   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD2%)
      3.600     1.600     1.600 peak  1554 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      9.307 ppm2      0.688 CV     1
 ASSI { 1555}
   (( segid " 1SG" and resid 41   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG1%)
      3.100     1.200     1.200 peak  1555 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      9.308 ppm2     -0.081 CV     1
 ASSI { 1557}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 74   and name HB2 ))
      2.300     0.700     0.700 peak  1557 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      9.237 ppm2     -0.838 CV     1
 ASSI { 1560}
   (( segid " 1SG" and resid 76   and name HN  ))
   (  segid " 1SG" and resid 76   and name HD1%)
      3.300     1.400     1.400 peak  1560 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      8.926 ppm2      0.649 CV     1
 ASSI { 1561}
   (( segid " 1SG" and resid 76   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD1%)
      3.600     1.600     1.600 peak  1561 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      8.926 ppm2      0.405 CV     1
 OR { 1561}
   (( segid " 1SG" and resid 76   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD2%)
 ASSI { 1563}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 90   and name HB2 ))
      3.100     1.200     1.200 peak  1563 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      8.696 ppm2      2.025 CV     1
 ASSI { 1564}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 40   and name HD2 ))
      3.500     1.500     1.500 peak  1564 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      8.694 ppm2      1.685 CV     1
 OR { 1564}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 40   and name HD1 ))
 ASSI { 1565}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 40   and name HG2 ))
      2.400     0.700     0.700 peak  1565 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      8.694 ppm2      1.238 CV     1
 OR { 1565}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 40   and name HG1 ))
 ASSI { 1566}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 41   and name HH2 ))
      3.000     3.000     3.000 peak  1566 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      8.470 ppm2      6.611 CV     1
 ASSI { 1568}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 24   and name HB2 ))
      3.000     3.000     3.000 peak  1568 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      8.469 ppm2      2.408 CV     1
 ASSI { 1570}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 75   and name HN  ))
      3.300     1.300     1.300 peak  1570 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      8.471 ppm2      9.160 CV     1
 ASSI { 1572}
   (( segid " 1SG" and resid 8    and name HN  ))
   (  segid " 1SG" and resid 28   and name HG1%)
      3.200     1.300     1.300 peak  1572 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      9.052 ppm2      0.818 CV     1
 ASSI { 1573}
   (( segid " 1SG" and resid 8    and name HN  ))
   (  segid " 1SG" and resid 29   and name HB% )
      3.300     1.400     1.400 peak  1573 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      9.052 ppm2      1.513 CV     1
 ASSI { 1574}
   (( segid " 1SG" and resid 8    and name HN  ))
   (( segid " 1SG" and resid 7    and name HB2 ))
      3.500     1.500     1.500 peak  1574 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      9.052 ppm2      2.577 CV     1
 ASSI { 1576}
   (( segid " 1SG" and resid 87   and name HN  ))
   (  segid " 1SG" and resid 87   and name HE% )
      3.700     1.700     1.700 peak  1576 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      9.114 ppm2      6.589 CV     1
 ASSI { 1577}
   (( segid " 1SG" and resid 31   and name HN  ))
   (( segid " 1SG" and resid 29   and name HA  ))
      3.100     1.200     1.200 peak  1577 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      8.417 ppm2      4.392 CV     1
 ASSI { 1578}
   (( segid " 1SG" and resid 31   and name HN  ))
   (( segid " 1SG" and resid 30   and name HA1 ))
      2.600     0.800     0.800 peak  1578 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      8.418 ppm2      3.945 CV     1
 ASSI { 1579}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 62   and name HA  ))
      2.900     2.900     3.100 peak  1579 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      8.722 ppm2      4.598 CV     1
 ASSI { 1582}
   (( segid " 1SG" and resid 10   and name HN  ))
   (( segid " 1SG" and resid 9    and name HB2 ))
      3.500     1.500     1.500 peak  1582 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      8.852 ppm2      1.895 CV     1
 ASSI { 1583}
   (( segid " 1SG" and resid 10   and name HN  ))
   (( segid " 1SG" and resid 100  and name HB2 ))
      3.300     3.300     2.700 peak  1583 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      8.852 ppm2      2.963 CV     1
 ASSI { 1584}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (( segid " 1SG" and resid 41   and name HH2 ))
      3.500     1.600     1.600 peak  1584 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1     10.779 ppm2      6.612 CV     1
 ASSI { 1585}
   (( segid " 1SG" and resid 21   and name HN  ))
   (( segid " 1SG" and resid 21   and name HB2 ))
      3.000     1.200     1.200 peak  1585 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      8.170 ppm2      3.751 CV     1
 ASSI { 1587}
   (( segid " 1SG" and resid 23   and name HN  ))
   (  segid " 1SG" and resid 22   and name HG2%)
      3.300     1.400     1.400 peak  1587 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      7.913 ppm2      0.580 CV     1
 ASSI { 1588}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      2.600     2.600     3.400 peak  1588 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      9.673 ppm2      2.815 CV     1
 ASSI { 1589}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 37   and name HB2 ))
      3.000     1.100     1.100 peak  1589 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      7.892 ppm2      1.363 CV     1
 OR { 1589}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 37   and name HG2 ))
 ASSI { 1590}
   (( segid " 1SG" and resid 39   and name HN  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      3.400     1.400     1.400 peak  1590 spectrum    1 weight  0.10000E+01 volume  0.36441E-02 ppm1      7.893 ppm2      0.175 CV     1
 ASSI { 1592}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 93   and name HB  ))
      2.900     1.000     1.000 peak  1592 spectrum    1 weight  0.10000E+01 volume  0.36496E-02 ppm1      7.547 ppm2      4.555 CV     1
 ASSI { 1593}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 95   and name HB2 ))
      3.200     1.300     1.300 peak  1593 spectrum    1 weight  0.10000E+01 volume  0.36496E-02 ppm1      7.546 ppm2      2.632 CV     1
 ASSI { 1595}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 95   and name HA  ))
      2.900     1.000     1.000 peak  1595 spectrum    1 weight  0.10000E+01 volume  0.36496E-02 ppm1      7.548 ppm2      4.750 CV     1
 ASSI { 1596}
   (( segid " 1SG" and resid 98   and name HN  ))
   (( segid " 1SG" and resid 7    and name HB2 ))
      3.200     3.200     2.800 peak  1596 spectrum    1 weight  0.10000E+01 volume  0.36496E-02 ppm1      8.415 ppm2      2.581 CV     1
 ASSI { 1597}
   (( segid " 1SG" and resid 101  and name HN  ))
   (( segid " 1SG" and resid 100  and name HB2 ))
      2.900     1.100     1.100 peak  1597 spectrum    1 weight  0.10000E+01 volume  0.36496E-02 ppm1      9.044 ppm2      2.950 CV     1
 ASSI { 1598}
   (( segid " 1SG" and resid 105  and name HN  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      3.200     1.300     1.300 peak  1598 spectrum    1 weight  0.10000E+01 volume  0.36496E-02 ppm1      8.401 ppm2      1.492 CV     1
 ASSI { 1599}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 15   and name HG1 ))
      3.200     1.300     1.300 peak  1599 spectrum    1 weight  0.10000E+01 volume  0.36496E-02 ppm1      8.404 ppm2      2.261 CV     1
 OR { 1599}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 15   and name HG2 ))
 ASSI { 1600}
   (( segid " 1SG" and resid 98   and name HN  ))
   (( segid " 1SG" and resid 91   and name HA  ))
      2.300     2.300     3.700 peak  1600 spectrum    1 weight  0.10000E+01 volume  0.36496E-02 ppm1      8.399 ppm2      4.758 CV     1
 ASSI { 1602}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 105  and name HB  ))
      3.200     1.200     1.200 peak  1602 spectrum    1 weight  0.10000E+01 volume  0.36496E-02 ppm1      8.150 ppm2      3.935 CV     1
 ASSI { 1603}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 106  and name HB  ))
      3.600     1.600     1.600 peak  1603 spectrum    1 weight  0.10000E+01 volume  0.36496E-02 ppm1      8.820 ppm2      1.850 CV     1
 ASSI { 1605}
   (( segid " 1SG" and resid 38   and name HN  ))
   (  segid " 1SG" and resid 38   and name HG2%)
      2.900     1.000     1.000 peak  1605 spectrum    1 weight  0.10000E+01 volume  0.36496E-02 ppm1      8.373 ppm2      0.790 CV     1
 ASSI { 1606}
   (( segid " 1SG" and resid 19   and name HN  ))
   (( segid " 1SG" and resid 19   and name HA2 ))
      2.600     0.800     0.800 peak  1606 spectrum    1 weight  0.10000E+01 volume  0.36496E-02 ppm1      9.828 ppm2      4.311 CV     1
 ASSI { 1608}
   (( segid " 1SG" and resid 85   and name HN  ))
   (  segid " 1SG" and resid 87   and name HD% )
      3.200     3.200     2.800 peak  1608 spectrum    1 weight  0.10000E+01 volume  0.36496E-02 ppm1      9.409 ppm2      6.792 CV     1
 ASSI { 1609}
   (( segid " 1SG" and resid 101  and name HD21))
   (( segid " 1SG" and resid 101  and name HB2 ))
      2.800     1.000     1.000 peak  1609 spectrum    1 weight  0.10000E+01 volume  0.36496E-02 ppm1      7.436 ppm2      2.696 CV     1
 ASSI { 1613}
   (( segid " 1SG" and resid 28   and name HN  ))
   (  segid " 1SG" and resid 72   and name HD% )
      3.000     1.100     1.100 peak  1613 spectrum    1 weight  0.10000E+01 volume  0.36515E-02 ppm1      9.673 ppm2      7.309 CV     1
 ASSI { 1614}
   (( segid " 1SG" and resid 68   and name HN  ))
   (( segid " 1SG" and resid 66   and name HA  ))
      3.400     1.400     1.400 peak  1614 spectrum    1 weight  0.10000E+01 volume  0.36496E-02 ppm1      7.876 ppm2      4.125 CV     1
 ASSI {    1}
   (( segid " 1SG" and resid 43   and name HD2 ))
   (( segid " 1SG" and resid 43   and name HG2 ))
      2.100     0.500     0.500 peak     1 spectrum    1 weight  0.10000E+01 volume  0.86083E-02 ppm1      1.317 ppm2      0.086 CV     1
 OR {    1}
   (( segid " 1SG" and resid 43   and name HD1 ))
   (( segid " 1SG" and resid 43   and name HG2 ))
 ASSI {    2}
   (( segid " 1SG" and resid 41   and name HA  ))
   (( segid " 1SG" and resid 89   and name HA  ))
      2.000     0.500     0.500 peak     2 spectrum    1 weight  0.10000E+01 volume  0.86111E-02 ppm1      5.478 ppm2      4.971 CV     1
 ASSI {   16}
   (( segid " 1SG" and resid 65   and name HG1 ))
   (( segid " 1SG" and resid 65   and name HB1 ))
      2.100     0.600     0.600 peak    16 spectrum    1 weight  0.10000E+01 volume  0.86152E-02 ppm1      1.688 ppm2      1.765 CV     1
 OR {   16}
   (( segid " 1SG" and resid 65   and name HG2 ))
   (( segid " 1SG" and resid 65   and name HB2 ))
 OR {   16}
   (( segid " 1SG" and resid 65   and name HG1 ))
   (( segid " 1SG" and resid 65   and name HB2 ))
 OR {   16}
   (( segid " 1SG" and resid 65   and name HG2 ))
   (( segid " 1SG" and resid 65   and name HB1 ))
 ASSI {   41}
   (( segid " 1SG" and resid 41   and name HA  ))
   (( segid " 1SG" and resid 90   and name HB2 ))
      2.400     2.400     3.600 peak    41 spectrum    1 weight  0.10000E+01 volume  0.84935E-02 ppm1      5.495 ppm2      2.057 CV     1
 ASSI {   98}
   (( segid " 1SG" and resid 87   and name HA  ))
   (( segid " 1SG" and resid 43   and name HA  ))
      2.000     0.500     0.500 peak    98 spectrum    1 weight  0.10000E+01 volume  0.84935E-02 ppm1      4.980 ppm2      4.145 CV     1
 ASSI {  113}
   (( segid " 1SG" and resid 61   and name HA  ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      2.400     2.400     3.600 peak   113 spectrum    1 weight  0.10000E+01 volume  0.84935E-02 ppm1      5.518 ppm2      2.821 CV     1
 ASSI {  131}
   (( segid " 1SG" and resid 1    and name HA  ))
   (( segid " 1SG" and resid 97   and name HB2 ))
      2.300     2.300     3.700 peak   131 spectrum    1 weight  0.10000E+01 volume  0.85080E-02 ppm1      4.624 ppm2      2.693 CV     1
 ASSI {  155}
   (( segid " 1SG" and resid 9    and name HA  ))
   (( segid " 1SG" and resid 9    and name HG2 ))
      2.300     0.700     0.700 peak   155 spectrum    1 weight  0.10000E+01 volume  0.85080E-02 ppm1      4.653 ppm2      2.522 CV     1
 ASSI {  159}
   (  segid " 1SG" and resid 93   and name HG2%)
   (( segid " 1SG" and resid 37   and name HA  ))
      1.900     0.500     0.500 peak   159 spectrum    1 weight  0.10000E+01 volume  0.85949E-02 ppm1      1.041 ppm2      4.505 CV     1
 ASSI {  174}
   (( segid " 1SG" and resid 72   and name HB2 ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      2.100     2.100     3.900 peak   174 spectrum    1 weight  0.10000E+01 volume  0.23602E-01 ppm1      2.926 ppm2      2.791 CV     1
 ASSI {  175}
   (( segid " 1SG" and resid 32   and name HA  ))
   (( segid " 1SG" and resid 32   and name HB2 ))
      2.200     0.600     0.600 peak   175 spectrum    1 weight  0.10000E+01 volume  0.85080E-02 ppm1      4.518 ppm2      3.914 CV     1
 OR {  175}
   (( segid " 1SG" and resid 32   and name HA  ))
   (( segid " 1SG" and resid 32   and name HB1 ))
 ASSI {  183}
   (( segid " 1SG" and resid 74   and name HA  ))
   (( segid " 1SG" and resid 59   and name HA  ))
      2.000     0.500     0.500 peak   183 spectrum    1 weight  0.10000E+01 volume  0.85080E-02 ppm1      4.344 ppm2      5.189 CV     1
 ASSI {  185}
   (( segid " 1SG" and resid 74   and name HA  ))
   (  segid " 1SG" and resid 74   and name HD1%)
      2.100     0.500     0.500 peak   185 spectrum    1 weight  0.10000E+01 volume  0.85080E-02 ppm1      4.326 ppm2      0.405 CV     1
 OR {  185}
   (( segid " 1SG" and resid 74   and name HA  ))
   (  segid " 1SG" and resid 74   and name HD2%)
 ASSI {  194}
   (( segid " 1SG" and resid 34   and name HA  ))
   (( segid " 1SG" and resid 34   and name HG  ))
      2.200     0.600     0.600 peak   194 spectrum    1 weight  0.10000E+01 volume  0.85109E-02 ppm1      4.298 ppm2      0.929 CV     1
 ASSI {  226}
   (( segid " 1SG" and resid 17   and name HA  ))
   (( segid " 1SG" and resid 107  and name HB1 ))
      2.100     2.100     3.900 peak   226 spectrum    1 weight  0.10000E+01 volume  0.85167E-02 ppm1      4.795 ppm2      3.074 CV     1
 OR {  226}
   (( segid " 1SG" and resid 17   and name HA  ))
   (( segid " 1SG" and resid 107  and name HB2 ))
 ASSI {  253}
   (( segid " 1SG" and resid 55   and name HG1 ))
   (( segid " 1SG" and resid 55   and name HB2 ))
      2.000     0.500     0.500 peak   253 spectrum    1 weight  0.10000E+01 volume  0.16515E-01 ppm1      1.989 ppm2      1.788 CV     1
 OR {  253}
   (( segid " 1SG" and resid 55   and name HG2 ))
   (( segid " 1SG" and resid 55   and name HB2 ))
 ASSI {  275}
   (( segid " 1SG" and resid 81   and name HB2 ))
   (( segid " 1SG" and resid 81   and name HA  ))
      2.300     0.600     0.600 peak   275 spectrum    1 weight  0.10000E+01 volume  0.85225E-02 ppm1      1.927 ppm2      4.000 CV     1
 ASSI {  282}
   (  segid " 1SG" and resid 84   and name HG2%)
   (( segid " 1SG" and resid 84   and name HB  ))
      2.000     0.500     0.500 peak   282 spectrum    1 weight  0.10000E+01 volume  0.14058E-01 ppm1      1.497 ppm2      4.224 CV     1
 OR {  282}
   (  segid " 1SG" and resid 84   and name HG2%)
   (( segid " 1SG" and resid 84   and name HA  ))
 ASSI {  287}
   (( segid " 1SG" and resid 94   and name HG2 ))
   (( segid " 1SG" and resid 94   and name HD2 ))
      1.800     0.400     0.400 peak   287 spectrum    1 weight  0.10000E+01 volume  0.13713E-01 ppm1      1.417 ppm2      1.679 CV     1
 OR {  287}
   (( segid " 1SG" and resid 94   and name HG1 ))
   (( segid " 1SG" and resid 94   and name HD2 ))
 OR {  287}
   (( segid " 1SG" and resid 94   and name HG2 ))
   (( segid " 1SG" and resid 94   and name HD1 ))
 OR {  287}
   (( segid " 1SG" and resid 94   and name HG1 ))
   (( segid " 1SG" and resid 94   and name HD1 ))
 ASSI {  302}
   (  segid " 1SG" and resid 4    and name HD1%)
   (( segid " 1SG" and resid 4    and name HB  ))
      2.100     0.500     0.500 peak   302 spectrum    1 weight  0.10000E+01 volume  0.85254E-02 ppm1      0.966 ppm2      2.051 CV     1
 ASSI {  313}
   (  segid " 1SG" and resid 66   and name HB% )
   (( segid " 1SG" and resid 66   and name HA  ))
      2.100     0.500     0.500 peak   313 spectrum    1 weight  0.10000E+01 volume  0.11848E-01 ppm1      1.419 ppm2      4.132 CV     1
 ASSI {  328}
   (( segid " 1SG" and resid 34   and name HG  ))
   (  segid " 1SG" and resid 34   and name HD2%)
      2.100     0.600     0.600 peak   328 spectrum    1 weight  0.10000E+01 volume  0.85405E-02 ppm1      0.934 ppm2      0.862 CV     1
 OR {  328}
   (( segid " 1SG" and resid 34   and name HG  ))
   (  segid " 1SG" and resid 34   and name HD1%)
 ASSI {  335}
   (( segid " 1SG" and resid 3    and name HB1 ))
   (( segid " 1SG" and resid 4    and name HB  ))
      2.400     2.400     3.600 peak   335 spectrum    1 weight  0.10000E+01 volume  0.10790E-01 ppm1      2.299 ppm2      2.004 CV     1
 OR {  335}
   (( segid " 1SG" and resid 3    and name HB2 ))
   (( segid " 1SG" and resid 4    and name HB  ))
 ASSI {  336}
   (( segid " 1SG" and resid 68   and name HD1 ))
   (( segid " 1SG" and resid 68   and name HB2 ))
      2.200     0.600     0.600 peak   336 spectrum    1 weight  0.10000E+01 volume  0.85405E-02 ppm1      1.673 ppm2      1.771 CV     1
 OR {  336}
   (( segid " 1SG" and resid 68   and name HD2 ))
   (( segid " 1SG" and resid 68   and name HB2 ))
 ASSI {  342}
   (( segid " 1SG" and resid 36   and name HB2 ))
   (( segid " 1SG" and resid 36   and name HD2 ))
      2.300     0.700     0.700 peak   342 spectrum    1 weight  0.10000E+01 volume  0.85405E-02 ppm1      1.641 ppm2      3.510 CV     1
 ASSI {  345}
   (  segid " 1SG" and resid 69   and name HG1%)
   (( segid " 1SG" and resid 69   and name HB  ))
      2.000     0.500     0.500 peak   345 spectrum    1 weight  0.10000E+01 volume  0.10548E-01 ppm1      0.862 ppm2      1.752 CV     1
 OR {  345}
   (  segid " 1SG" and resid 69   and name HG2%)
   (( segid " 1SG" and resid 69   and name HB  ))
 ASSI {  349}
   (  segid " 1SG" and resid 82   and name HB% )
   (( segid " 1SG" and resid 82   and name HA  ))
      2.100     0.600     0.600 peak   349 spectrum    1 weight  0.10000E+01 volume  0.10328E-01 ppm1      1.321 ppm2      4.210 CV     1
 ASSI {  353}
   (  segid " 1SG" and resid 16   and name HG1%)
   (  segid " 1SG" and resid 16   and name HG2%)
      2.100     0.600     0.600 peak   353 spectrum    1 weight  0.10000E+01 volume  0.10258E-01 ppm1      0.980 ppm2      0.628 CV     1
 ASSI {  354}
   (( segid " 1SG" and resid 21   and name HB2 ))
   (( segid " 1SG" and resid 23   and name HB  ))
      2.200     2.200     3.800 peak   354 spectrum    1 weight  0.10000E+01 volume  0.10202E-01 ppm1      3.720 ppm2      3.604 CV     1
 ASSI {  356}
   (( segid " 1SG" and resid 104  and name HG  ))
   (( segid " 1SG" and resid 104  and name HB2 ))
      2.100     2.100     3.900 peak   356 spectrum    1 weight  0.10000E+01 volume  0.85405E-02 ppm1      1.339 ppm2      1.226 CV     1
 ASSI {  357}
   (( segid " 1SG" and resid 104  and name HG  ))
   (  segid " 1SG" and resid 104  and name HD1%)
      2.000     0.500     0.500 peak   357 spectrum    1 weight  0.10000E+01 volume  0.85405E-02 ppm1      1.341 ppm2      0.980 CV     1
 ASSI {  358}
   (( segid " 1SG" and resid 65   and name HD2 ))
   (( segid " 1SG" and resid 65   and name HG2 ))
      2.100     0.500     0.500 peak   358 spectrum    1 weight  0.10000E+01 volume  0.10091E-01 ppm1      3.238 ppm2      1.683 CV     1
 OR {  358}
   (( segid " 1SG" and resid 65   and name HD1 ))
   (( segid " 1SG" and resid 65   and name HG1 ))
 OR {  358}
   (( segid " 1SG" and resid 65   and name HD2 ))
   (( segid " 1SG" and resid 65   and name HG1 ))
 OR {  358}
   (( segid " 1SG" and resid 65   and name HD1 ))
   (( segid " 1SG" and resid 65   and name HG2 ))
 ASSI {  359}
   (( segid " 1SG" and resid 104  and name HG  ))
   (  segid " 1SG" and resid 104  and name HD2%)
      2.000     0.500     0.500 peak   359 spectrum    1 weight  0.10000E+01 volume  0.85405E-02 ppm1      1.342 ppm2      0.832 CV     1
 ASSI {  363}
   (  segid " 1SG" and resid 8    and name HG2%)
   (( segid " 1SG" and resid 8    and name HB  ))
      2.000     0.500     0.500 peak   363 spectrum    1 weight  0.10000E+01 volume  0.99680E-02 ppm1      0.979 ppm2      1.824 CV     1
 OR {  363}
   (  segid " 1SG" and resid 8    and name HG1%)
   (( segid " 1SG" and resid 8    and name HB  ))
 ASSI {  364}
   (( segid " 1SG" and resid 59   and name HG  ))
   (  segid " 1SG" and resid 59   and name HD2%)
      2.000     0.500     0.500 peak   364 spectrum    1 weight  0.10000E+01 volume  0.85405E-02 ppm1      1.424 ppm2      0.682 CV     1
 ASSI {  367}
   (  segid " 1SG" and resid 28   and name HG1%)
   (  segid " 1SG" and resid 6    and name HD1%)
      2.100     0.600     0.600 peak   367 spectrum    1 weight  0.10000E+01 volume  0.99037E-02 ppm1      0.815 ppm2      0.666 CV     1
 ASSI {  375}
   (( segid " 1SG" and resid 4    and name HG12))
   (  segid " 1SG" and resid 4    and name HG2%)
      2.000     0.500     0.500 peak   375 spectrum    1 weight  0.10000E+01 volume  0.85405E-02 ppm1      1.245 ppm2      0.917 CV     1
 ASSI {  377}
   (  segid " 1SG" and resid 71   and name HD2%)
   (  segid " 1SG" and resid 71   and name HD1%)
      2.200     0.600     0.600 peak   377 spectrum    1 weight  0.10000E+01 volume  0.96639E-02 ppm1      0.746 ppm2      0.857 CV     1
 ASSI {  384}
   (( segid " 1SG" and resid 81   and name HD2 ))
   (  segid " 1SG" and resid 18   and name HG1%)
      2.600     0.900     0.900 peak   384 spectrum    1 weight  0.10000E+01 volume  0.85434E-02 ppm1      3.587 ppm2      0.967 CV     1
 OR {  384}
   (( segid " 1SG" and resid 81   and name HD2 ))
   (  segid " 1SG" and resid 18   and name HG2%)
 ASSI {  388}
   (( segid " 1SG" and resid 34   and name HG  ))
   (( segid " 1SG" and resid 34   and name HB1 ))
      2.100     0.600     0.600 peak   388 spectrum    1 weight  0.10000E+01 volume  0.93684E-02 ppm1      0.935 ppm2      1.675 CV     1
 OR {  388}
   (( segid " 1SG" and resid 34   and name HG  ))
   (( segid " 1SG" and resid 34   and name HB2 ))
 ASSI {  403}
   (  segid " 1SG" and resid 34   and name HD1%)
   (( segid " 1SG" and resid 34   and name HB1 ))
      2.200     0.600     0.600 peak   403 spectrum    1 weight  0.10000E+01 volume  0.91337E-02 ppm1      0.863 ppm2      1.651 CV     1
 OR {  403}
   (  segid " 1SG" and resid 34   and name HD2%)
   (( segid " 1SG" and resid 34   and name HB2 ))
 OR {  403}
   (  segid " 1SG" and resid 34   and name HD1%)
   (( segid " 1SG" and resid 34   and name HB2 ))
 OR {  403}
   (  segid " 1SG" and resid 34   and name HD2%)
   (( segid " 1SG" and resid 34   and name HB1 ))
 ASSI {  404}
   (  segid " 1SG" and resid 33   and name HD2%)
   (( segid " 1SG" and resid 33   and name HB2 ))
      2.300     0.700     0.700 peak   404 spectrum    1 weight  0.10000E+01 volume  0.90885E-02 ppm1      0.873 ppm2      1.725 CV     1
 OR {  404}
   (  segid " 1SG" and resid 33   and name HD1%)
   (( segid " 1SG" and resid 33   and name HB2 ))
 ASSI {  405}
   (( segid " 1SG" and resid 96   and name HB2 ))
   (  segid " 1SG" and resid 6    and name HD2%)
      2.200     0.600     0.600 peak   405 spectrum    1 weight  0.10000E+01 volume  0.85434E-02 ppm1      1.583 ppm2      0.481 CV     1
 ASSI {  406}
   (( segid " 1SG" and resid 35   and name HB2 ))
   (( segid " 1SG" and resid 35   and name HD2 ))
      2.100     0.600     0.600 peak   406 spectrum    1 weight  0.10000E+01 volume  0.90445E-02 ppm1      1.791 ppm2      1.632 CV     1
 OR {  406}
   (( segid " 1SG" and resid 35   and name HB2 ))
   (( segid " 1SG" and resid 35   and name HD1 ))
 OR {  406}
   (( segid " 1SG" and resid 35   and name HB1 ))
   (( segid " 1SG" and resid 35   and name HD2 ))
 OR {  406}
   (( segid " 1SG" and resid 35   and name HB1 ))
   (( segid " 1SG" and resid 35   and name HD1 ))
 ASSI {  414}
   (( segid " 1SG" and resid 33   and name HB2 ))
   (( segid " 1SG" and resid 33   and name HG  ))
      2.000     0.500     0.500 peak   414 spectrum    1 weight  0.10000E+01 volume  0.85549E-02 ppm1      1.739 ppm2      0.923 CV     1
 ASSI {  415}
   (  segid " 1SG" and resid 31   and name HB% )
   (( segid " 1SG" and resid 31   and name HA  ))
      2.100     0.600     0.600 peak   415 spectrum    1 weight  0.10000E+01 volume  0.89200E-02 ppm1      1.537 ppm2      4.174 CV     1
 ASSI {  416}
   (( segid " 1SG" and resid 2    and name HB2 ))
   (( segid " 1SG" and resid 1    and name HB2 ))
      2.500     2.500     3.500 peak   416 spectrum    1 weight  0.10000E+01 volume  0.85549E-02 ppm1      2.691 ppm2      2.601 CV     1
 ASSI {  419}
   (( segid " 1SG" and resid 1    and name HB2 ))
   (( segid " 1SG" and resid 97   and name HB2 ))
      2.500     2.500     3.500 peak   419 spectrum    1 weight  0.10000E+01 volume  0.85549E-02 ppm1      2.599 ppm2      2.691 CV     1
 ASSI {  420}
   (  segid " 1SG" and resid 105  and name HG2%)
   (( segid " 1SG" and resid 105  and name HB  ))
      2.100     0.600     0.600 peak   420 spectrum    1 weight  0.10000E+01 volume  0.88035E-02 ppm1      0.923 ppm2      3.904 CV     1
 ASSI {  425}
   (  segid " 1SG" and resid 76   and name HD1%)
   (  segid " 1SG" and resid 76   and name HG2%)
      2.100     0.500     0.500 peak   425 spectrum    1 weight  0.10000E+01 volume  0.86702E-02 ppm1      0.678 ppm2      0.829 CV     1
 ASSI {  427}
   (  segid " 1SG" and resid 59   and name HD1%)
   (  segid " 1SG" and resid 59   and name HD2%)
      2.100     0.500     0.500 peak   427 spectrum    1 weight  0.10000E+01 volume  0.86036E-02 ppm1      0.863 ppm2      0.716 CV     1
 ASSI {  435}
   (( segid " 1SG" and resid 94   and name HE1 ))
   (( segid " 1SG" and resid 94   and name HD2 ))
      2.000     0.500     0.500 peak   435 spectrum    1 weight  0.10000E+01 volume  0.84391E-02 ppm1      2.967 ppm2      1.689 CV     1
 OR {  435}
   (( segid " 1SG" and resid 94   and name HE2 ))
   (( segid " 1SG" and resid 94   and name HD1 ))
 OR {  435}
   (( segid " 1SG" and resid 94   and name HE1 ))
   (( segid " 1SG" and resid 94   and name HD1 ))
 OR {  435}
   (( segid " 1SG" and resid 94   and name HE2 ))
   (( segid " 1SG" and resid 94   and name HD2 ))
 ASSI {  438}
   (( segid " 1SG" and resid 108  and name HG1 ))
   (  segid " 1SG" and resid 18   and name HG2%)
      2.300     0.600     0.600 peak   438 spectrum    1 weight  0.10000E+01 volume  0.85689E-02 ppm1      2.209 ppm2      0.961 CV     1
 OR {  438}
   (( segid " 1SG" and resid 108  and name HG2 ))
   (  segid " 1SG" and resid 18   and name HG2%)
 ASSI {  443}
   (  segid " 1SG" and resid 106  and name HG2%)
   (  segid " 1SG" and resid 106  and name HG1%)
      2.100     0.600     0.600 peak   443 spectrum    1 weight  0.10000E+01 volume  0.82195E-02 ppm1      0.390 ppm2      0.692 CV     1
 ASSI {  458}
   (  segid " 1SG" and resid 23   and name HG2%)
   (( segid " 1SG" and resid 23   and name HB  ))
      2.200     0.600     0.600 peak   458 spectrum    1 weight  0.10000E+01 volume  0.79646E-02 ppm1      0.783 ppm2      3.578 CV     1
 ASSI {  460}
   (( segid " 1SG" and resid 50   and name HB2 ))
   (( segid " 1SG" and resid 50   and name HA  ))
      2.100     0.600     0.600 peak   460 spectrum    1 weight  0.10000E+01 volume  0.85689E-02 ppm1      4.031 ppm2      3.944 CV     1
 ASSI {  463}
   (( segid " 1SG" and resid 35   and name HE1 ))
   (( segid " 1SG" and resid 35   and name HD1 ))
      2.100     0.600     0.600 peak   463 spectrum    1 weight  0.10000E+01 volume  0.77757E-02 ppm1      2.950 ppm2      1.649 CV     1
 OR {  463}
   (( segid " 1SG" and resid 35   and name HE2 ))
   (( segid " 1SG" and resid 35   and name HD2 ))
 OR {  463}
   (( segid " 1SG" and resid 35   and name HE1 ))
   (( segid " 1SG" and resid 35   and name HD2 ))
 OR {  463}
   (( segid " 1SG" and resid 35   and name HE2 ))
   (( segid " 1SG" and resid 35   and name HD1 ))
 ASSI {  464}
   (( segid " 1SG" and resid 4    and name HA  ))
   (  segid " 1SG" and resid 4    and name HG2%)
      2.200     0.600     0.600 peak   464 spectrum    1 weight  0.10000E+01 volume  0.85689E-02 ppm1      4.027 ppm2      0.915 CV     1
 ASSI {  478}
   (  segid " 1SG" and resid 84   and name HG2%)
   (( segid " 1SG" and resid 105  and name HA  ))
      2.200     0.600     0.600 peak   478 spectrum    1 weight  0.10000E+01 volume  0.74895E-02 ppm1      1.498 ppm2      4.518 CV     1
 ASSI {  480}
   (( segid " 1SG" and resid 17   and name HB  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      2.200     0.600     0.600 peak   480 spectrum    1 weight  0.10000E+01 volume  0.74628E-02 ppm1      4.089 ppm2      1.298 CV     1
 ASSI {  482}
   (  segid " 1SG" and resid 34   and name HD2%)
   (( segid " 1SG" and resid 34   and name HA  ))
      2.300     0.700     0.700 peak   482 spectrum    1 weight  0.10000E+01 volume  0.74136E-02 ppm1      0.863 ppm2      4.298 CV     1
 OR {  482}
   (  segid " 1SG" and resid 34   and name HD1%)
   (( segid " 1SG" and resid 34   and name HA  ))
 ASSI {  483}
   (  segid " 1SG" and resid 104  and name HD1%)
   (  segid " 1SG" and resid 16   and name HG2%)
      2.100     0.500     0.500 peak   483 spectrum    1 weight  0.10000E+01 volume  0.74078E-02 ppm1      0.982 ppm2      0.618 CV     1
 ASSI {  485}
   (  segid " 1SG" and resid 6    and name HD1%)
   (  segid " 1SG" and resid 6    and name HD2%)
      2.200     0.600     0.600 peak   485 spectrum    1 weight  0.10000E+01 volume  0.73458E-02 ppm1      0.674 ppm2      0.488 CV     1
 ASSI {  492}
   (  segid " 1SG" and resid 18   and name HG2%)
   (  segid " 1SG" and resid 106  and name HG2%)
      2.200     0.600     0.600 peak   492 spectrum    1 weight  0.10000E+01 volume  0.72635E-02 ppm1      0.966 ppm2      0.388 CV     1
 ASSI {  500}
   (( segid " 1SG" and resid 49   and name HG  ))
   (  segid " 1SG" and resid 49   and name HD1%)
      1.900     0.500     0.500 peak   500 spectrum    1 weight  0.10000E+01 volume  0.86111E-02 ppm1      0.799 ppm2      1.765 CV     1
 ASSI {  501}
   (  segid " 1SG" and resid 91   and name HG2%)
   (( segid " 1SG" and resid 37   and name HB2 ))
      2.100     0.600     0.600 peak   501 spectrum    1 weight  0.10000E+01 volume  0.85723E-02 ppm1      0.184 ppm2      1.380 CV     1
 OR {  501}
   (  segid " 1SG" and resid 91   and name HG2%)
   (( segid " 1SG" and resid 37   and name HG2 ))
 ASSI {  504}
   (  segid " 1SG" and resid 69   and name HG1%)
   (( segid " 1SG" and resid 69   and name HA  ))
      2.200     0.600     0.600 peak   504 spectrum    1 weight  0.10000E+01 volume  0.71094E-02 ppm1      0.862 ppm2      4.593 CV     1
 OR {  504}
   (  segid " 1SG" and resid 69   and name HG2%)
   (( segid " 1SG" and resid 69   and name HA  ))
 ASSI {  507}
   (  segid " 1SG" and resid 38   and name HG1%)
   (( segid " 1SG" and resid 38   and name HB  ))
      2.200     0.600     0.600 peak   507 spectrum    1 weight  0.10000E+01 volume  0.70752E-02 ppm1      0.828 ppm2      1.896 CV     1
 OR {  507}
   (  segid " 1SG" and resid 38   and name HG2%)
   (( segid " 1SG" and resid 38   and name HB  ))
 ASSI {  511}
   (( segid " 1SG" and resid 77   and name HB  ))
   (  segid " 1SG" and resid 77   and name HG2%)
      2.200     0.600     0.600 peak   511 spectrum    1 weight  0.10000E+01 volume  0.70521E-02 ppm1      4.025 ppm2      1.045 CV     1
 ASSI {  515}
   (  segid " 1SG" and resid 47   and name HG2%)
   (  segid " 1SG" and resid 47   and name HG1%)
      2.200     0.600     0.600 peak   515 spectrum    1 weight  0.10000E+01 volume  0.70219E-02 ppm1      0.794 ppm2      0.992 CV     1
 ASSI {  522}
   (  segid " 1SG" and resid 39   and name HG1%)
   (  segid " 1SG" and resid 39   and name HG2%)
      2.200     0.600     0.600 peak   522 spectrum    1 weight  0.10000E+01 volume  0.69263E-02 ppm1     -0.062 ppm2     -0.447 CV     1
 ASSI {  524}
   (( segid " 1SG" and resid 52   and name HD2 ))
   (( segid " 1SG" and resid 52   and name HG1 ))
      2.200     0.600     0.600 peak   524 spectrum    1 weight  0.10000E+01 volume  0.69014E-02 ppm1      1.579 ppm2      1.341 CV     1
 OR {  524}
   (( segid " 1SG" and resid 52   and name HD1 ))
   (( segid " 1SG" and resid 52   and name HG2 ))
 OR {  524}
   (( segid " 1SG" and resid 52   and name HD2 ))
   (( segid " 1SG" and resid 52   and name HG2 ))
 OR {  524}
   (( segid " 1SG" and resid 52   and name HD1 ))
   (( segid " 1SG" and resid 52   and name HG1 ))
 ASSI {  527}
   (( segid " 1SG" and resid 49   and name HG  ))
   (  segid " 1SG" and resid 59   and name HD1%)
      2.700     2.700     3.300 peak   527 spectrum    1 weight  0.10000E+01 volume  0.85752E-02 ppm1      0.848 ppm2      0.850 CV     1
 ASSI {  536}
   (  segid " 1SG" and resid 38   and name HG2%)
   (( segid " 1SG" and resid 38   and name HA  ))
      2.300     0.600     0.600 peak   536 spectrum    1 weight  0.10000E+01 volume  0.68111E-02 ppm1      0.835 ppm2      3.900 CV     1
 OR {  536}
   (  segid " 1SG" and resid 38   and name HG1%)
   (( segid " 1SG" and resid 38   and name HA  ))
 ASSI {  541}
   (  segid " 1SG" and resid 59   and name HD2%)
   (  segid " 1SG" and resid 74   and name HD2%)
      2.300     0.700     0.700 peak   541 spectrum    1 weight  0.10000E+01 volume  0.67989E-02 ppm1      0.714 ppm2      0.412 CV     1
 OR {  541}
   (  segid " 1SG" and resid 59   and name HD2%)
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI {  544}
   (( segid " 1SG" and resid 54   and name HA1 ))
   (( segid " 1SG" and resid 54   and name HA2 ))
      2.000     0.500     0.500 peak   544 spectrum    1 weight  0.10000E+01 volume  0.67861E-02 ppm1      3.915 ppm2      4.302 CV     1
 ASSI {  547}
   (  segid " 1SG" and resid 33   and name HD2%)
   (( segid " 1SG" and resid 33   and name HA  ))
      2.500     0.800     0.800 peak   547 spectrum    1 weight  0.10000E+01 volume  0.67612E-02 ppm1      0.873 ppm2      4.455 CV     1
 OR {  547}
   (  segid " 1SG" and resid 33   and name HD1%)
   (( segid " 1SG" and resid 33   and name HA  ))
 ASSI {  548}
   (  segid " 1SG" and resid 28   and name HG1%)
   (  segid " 1SG" and resid 29   and name HB% )
      2.500     2.500     3.500 peak   548 spectrum    1 weight  0.10000E+01 volume  0.85752E-02 ppm1      0.819 ppm2      1.521 CV     1
 ASSI {  557}
   (  segid " 1SG" and resid 59   and name HD1%)
   (  segid " 1SG" and resid 57   and name HD1%)
      2.900     1.100     1.100 peak   557 spectrum    1 weight  0.10000E+01 volume  0.66170E-02 ppm1      0.824 ppm2      0.604 CV     1
 OR {  557}
   (  segid " 1SG" and resid 59   and name HD1%)
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI {  558}
   (  segid " 1SG" and resid 29   and name HB% )
   (( segid " 1SG" and resid 29   and name HA  ))
      2.200     0.600     0.600 peak   558 spectrum    1 weight  0.10000E+01 volume  0.65949E-02 ppm1      1.520 ppm2      4.393 CV     1
 ASSI {  563}
   (  segid " 1SG" and resid 104  and name HD2%)
   (  segid " 1SG" and resid 106  and name HG1%)
      2.300     0.600     0.600 peak   563 spectrum    1 weight  0.10000E+01 volume  0.64883E-02 ppm1      0.837 ppm2      0.684 CV     1
 ASSI {  571}
   (  segid " 1SG" and resid 93   and name HG2%)
   (( segid " 1SG" and resid 93   and name HB  ))
      2.100     0.600     0.600 peak   571 spectrum    1 weight  0.10000E+01 volume  0.64229E-02 ppm1      1.040 ppm2      4.557 CV     1
 ASSI {  572}
   (  segid " 1SG" and resid 104  and name HD2%)
   (  segid " 1SG" and resid 104  and name HD1%)
      2.200     0.600     0.600 peak   572 spectrum    1 weight  0.10000E+01 volume  0.63980E-02 ppm1      0.836 ppm2      0.981 CV     1
 ASSI {  574}
   (  segid " 1SG" and resid 53   and name HG2%)
   (( segid " 1SG" and resid 53   and name HB  ))
      2.200     0.600     0.600 peak   574 spectrum    1 weight  0.10000E+01 volume  0.63661E-02 ppm1      1.080 ppm2      2.129 CV     1
 OR {  574}
   (  segid " 1SG" and resid 53   and name HG1%)
   (( segid " 1SG" and resid 53   and name HB  ))
 ASSI {  581}
   (( segid " 1SG" and resid 67   and name HB2 ))
   (( segid " 1SG" and resid 67   and name HA  ))
      2.300     0.700     0.700 peak   581 spectrum    1 weight  0.10000E+01 volume  0.62850E-02 ppm1      3.729 ppm2      4.301 CV     1
 OR {  581}
   (( segid " 1SG" and resid 67   and name HB1 ))
   (( segid " 1SG" and resid 67   and name HA  ))
 ASSI {  582}
   (( segid " 1SG" and resid 53   and name HB  ))
   (  segid " 1SG" and resid 53   and name HG1%)
      2.200     0.600     0.600 peak   582 spectrum    1 weight  0.10000E+01 volume  0.62804E-02 ppm1      2.134 ppm2      1.116 CV     1
 ASSI {  589}
   (  segid " 1SG" and resid 76   and name HG2%)
   (  segid " 1SG" and resid 57   and name HD2%)
      2.600     0.800     0.800 peak   589 spectrum    1 weight  0.10000E+01 volume  0.85810E-02 ppm1      0.826 ppm2      0.616 CV     1
 OR {  589}
   (  segid " 1SG" and resid 76   and name HG2%)
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI {  592}
   (( segid " 1SG" and resid 53   and name HB  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      2.100     0.600     0.600 peak   592 spectrum    1 weight  0.10000E+01 volume  0.61824E-02 ppm1      2.134 ppm2      1.084 CV     1
 ASSI {  594}
   (  segid " 1SG" and resid 76   and name HD1%)
   (  segid " 1SG" and resid 74   and name HD1%)
      2.100     0.600     0.600 peak   594 spectrum    1 weight  0.10000E+01 volume  0.85810E-02 ppm1      0.676 ppm2      0.417 CV     1
 OR {  594}
   (  segid " 1SG" and resid 76   and name HD1%)
   (  segid " 1SG" and resid 74   and name HD2%)
 ASSI {  604}
   (( segid " 1SG" and resid 85   and name HA1 ))
   (( segid " 1SG" and resid 85   and name HA2 ))
      1.900     0.500     0.500 peak   604 spectrum    1 weight  0.10000E+01 volume  0.60955E-02 ppm1      3.939 ppm2      4.518 CV     1
 ASSI {  606}
   (( segid " 1SG" and resid 89   and name HA  ))
   (( segid " 1SG" and resid 99   and name HB2 ))
      2.400     2.400     3.600 peak   606 spectrum    1 weight  0.10000E+01 volume  0.85810E-02 ppm1      4.981 ppm2      2.748 CV     1
 ASSI {  611}
   (( segid " 1SG" and resid 20   and name HA2 ))
   (( segid " 1SG" and resid 20   and name HA1 ))
      2.000     0.500     0.500 peak   611 spectrum    1 weight  0.10000E+01 volume  0.60052E-02 ppm1      4.387 ppm2      3.737 CV     1
 ASSI {  612}
   (  segid " 1SG" and resid 18   and name HG1%)
   (( segid " 1SG" and resid 18   and name HB  ))
      2.300     0.600     0.600 peak   612 spectrum    1 weight  0.10000E+01 volume  0.59982E-02 ppm1      1.013 ppm2      1.941 CV     1
 ASSI {  613}
   (( segid " 1SG" and resid 3    and name HD2 ))
   (( segid " 1SG" and resid 2    and name HA  ))
      2.300     0.600     0.600 peak   613 spectrum    1 weight  0.10000E+01 volume  0.59802E-02 ppm1      3.854 ppm2      4.913 CV     1
 OR {  613}
   (( segid " 1SG" and resid 3    and name HD1 ))
   (( segid " 1SG" and resid 2    and name HA  ))
 ASSI {  617}
   (( segid " 1SG" and resid 84   and name HB  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      2.300     0.700     0.700 peak   617 spectrum    1 weight  0.10000E+01 volume  0.59287E-02 ppm1      4.220 ppm2      1.497 CV     1
 ASSI {  623}
   (( segid " 1SG" and resid 38   and name HB  ))
   (  segid " 1SG" and resid 38   and name HG2%)
      2.300     0.700     0.700 peak   623 spectrum    1 weight  0.10000E+01 volume  0.58742E-02 ppm1      1.893 ppm2      0.790 CV     1
 ASSI {  625}
   (( segid " 1SG" and resid 49   and name HG  ))
   (  segid " 1SG" and resid 49   and name HD2%)
      2.000     0.500     0.500 peak   625 spectrum    1 weight  0.10000E+01 volume  0.58308E-02 ppm1      0.805 ppm2      1.028 CV     1
 ASSI {  628}
   (  segid " 1SG" and resid 91   and name HG2%)
   (  segid " 1SG" and resid 39   and name HG2%)
      2.200     0.600     0.600 peak   628 spectrum    1 weight  0.10000E+01 volume  0.57754E-02 ppm1      0.172 ppm2     -0.446 CV     1
 OR {  628}
   (  segid " 1SG" and resid 91   and name HG1%)
   (  segid " 1SG" and resid 39   and name HG2%)
 ASSI {  629}
   (  segid " 1SG" and resid 106  and name HG2%)
   (  segid " 1SG" and resid 18   and name HG2%)
      2.300     0.700     0.700 peak   629 spectrum    1 weight  0.10000E+01 volume  0.56869E-02 ppm1      0.390 ppm2      0.968 CV     1
 OR {  629}
   (  segid " 1SG" and resid 106  and name HG2%)
   (  segid " 1SG" and resid 18   and name HG1%)
 ASSI {  638}
   (  segid " 1SG" and resid 74   and name HD2%)
   (  segid " 1SG" and resid 26   and name HB% )
      1.800     1.800     4.200 peak   638 spectrum    1 weight  0.10000E+01 volume  0.85810E-02 ppm1      0.410 ppm2      1.483 CV     1
 OR {  638}
   (  segid " 1SG" and resid 74   and name HD1%)
   (  segid " 1SG" and resid 26   and name HB% )
 ASSI {  647}
   (( segid " 1SG" and resid 15   and name HB2 ))
   (( segid " 1SG" and resid 15   and name HG2 ))
      2.400     0.700     0.700 peak   647 spectrum    1 weight  0.10000E+01 volume  0.55052E-02 ppm1      2.041 ppm2      2.277 CV     1
 OR {  647}
   (( segid " 1SG" and resid 15   and name HB1 ))
   (( segid " 1SG" and resid 15   and name HG1 ))
 OR {  647}
   (( segid " 1SG" and resid 15   and name HB1 ))
   (( segid " 1SG" and resid 15   and name HG2 ))
 OR {  647}
   (( segid " 1SG" and resid 15   and name HB2 ))
   (( segid " 1SG" and resid 15   and name HG1 ))
 ASSI {  649}
   (  segid " 1SG" and resid 105  and name HG2%)
   (( segid " 1SG" and resid 105  and name HA  ))
      2.300     0.700     0.700 peak   649 spectrum    1 weight  0.10000E+01 volume  0.54863E-02 ppm1      0.923 ppm2      4.518 CV     1
 ASSI {  651}
   (  segid " 1SG" and resid 8    and name HG2%)
   (( segid " 1SG" and resid 8    and name HA  ))
      2.400     0.700     0.700 peak   651 spectrum    1 weight  0.10000E+01 volume  0.54637E-02 ppm1      0.964 ppm2      4.174 CV     1
 OR {  651}
   (  segid " 1SG" and resid 8    and name HG1%)
   (( segid " 1SG" and resid 8    and name HA  ))
 ASSI {  653}
   (  segid " 1SG" and resid 57   and name HD2%)
   (  segid " 1SG" and resid 74   and name HD1%)
      2.300     0.700     0.700 peak   653 spectrum    1 weight  0.10000E+01 volume  0.54481E-02 ppm1      0.612 ppm2      0.416 CV     1
 OR {  653}
   (  segid " 1SG" and resid 57   and name HD1%)
   (  segid " 1SG" and resid 74   and name HD1%)
 OR {  653}
   (  segid " 1SG" and resid 57   and name HD2%)
   (  segid " 1SG" and resid 74   and name HD2%)
 ASSI {  655}
   (( segid " 1SG" and resid 92   and name HB1 ))
   (( segid " 1SG" and resid 92   and name HA  ))
      2.300     0.700     0.700 peak   655 spectrum    1 weight  0.10000E+01 volume  0.54343E-02 ppm1      3.943 ppm2      5.264 CV     1
 OR {  655}
   (( segid " 1SG" and resid 92   and name HB2 ))
   (( segid " 1SG" and resid 92   and name HA  ))
 ASSI {  656}
   (( segid " 1SG" and resid 38   and name HB  ))
   (  segid " 1SG" and resid 38   and name HG1%)
      2.300     0.700     0.700 peak   656 spectrum    1 weight  0.10000E+01 volume  0.54238E-02 ppm1      1.893 ppm2      0.842 CV     1
 ASSI {  667}
   (( segid " 1SG" and resid 94   and name HE1 ))
   (( segid " 1SG" and resid 94   and name HG1 ))
      2.500     0.800     0.800 peak   667 spectrum    1 weight  0.10000E+01 volume  0.52563E-02 ppm1      2.982 ppm2      1.410 CV     1
 OR {  667}
   (( segid " 1SG" and resid 94   and name HE2 ))
   (( segid " 1SG" and resid 94   and name HG1 ))
 OR {  667}
   (( segid " 1SG" and resid 94   and name HE1 ))
   (( segid " 1SG" and resid 94   and name HG2 ))
 OR {  667}
   (( segid " 1SG" and resid 94   and name HE2 ))
   (( segid " 1SG" and resid 94   and name HG2 ))
 ASSI {  669}
   (( segid " 1SG" and resid 18   and name HB  ))
   (  segid " 1SG" and resid 18   and name HG2%)
      2.300     0.700     0.700 peak   669 spectrum    1 weight  0.10000E+01 volume  0.52422E-02 ppm1      1.940 ppm2      0.968 CV     1
 OR {  669}
   (( segid " 1SG" and resid 18   and name HB  ))
   (  segid " 1SG" and resid 18   and name HG1%)
 ASSI {  676}
   (( segid " 1SG" and resid 32   and name HB2 ))
   (( segid " 1SG" and resid 33   and name HA  ))
      2.400     2.400     3.600 peak   676 spectrum    1 weight  0.10000E+01 volume  0.51860E-02 ppm1      3.910 ppm2      4.466 CV     1
 OR {  676}
   (( segid " 1SG" and resid 32   and name HB1 ))
   (( segid " 1SG" and resid 33   and name HA  ))
 ASSI {  677}
   (  segid " 1SG" and resid 104  and name HD1%)
   (  segid " 1SG" and resid 22   and name HD1%)
      2.400     0.700     0.700 peak   677 spectrum    1 weight  0.10000E+01 volume  0.51859E-02 ppm1      0.982 ppm2      0.547 CV     1
 ASSI {  679}
   (  segid " 1SG" and resid 47   and name HG1%)
   (( segid " 1SG" and resid 47   and name HA  ))
      2.300     0.700     0.700 peak   679 spectrum    1 weight  0.10000E+01 volume  0.51765E-02 ppm1      0.996 ppm2      4.076 CV     1
 ASSI {  681}
   (( segid " 1SG" and resid 68   and name HG1 ))
   (( segid " 1SG" and resid 68   and name HD2 ))
      2.300     0.600     0.600 peak   681 spectrum    1 weight  0.10000E+01 volume  0.51755E-02 ppm1      1.326 ppm2      1.682 CV     1
 OR {  681}
   (( segid " 1SG" and resid 68   and name HG2 ))
   (( segid " 1SG" and resid 68   and name HD2 ))
 OR {  681}
   (( segid " 1SG" and resid 68   and name HG1 ))
   (( segid " 1SG" and resid 68   and name HD1 ))
 OR {  681}
   (( segid " 1SG" and resid 68   and name HG2 ))
   (( segid " 1SG" and resid 68   and name HD1 ))
 ASSI {  684}
   (  segid " 1SG" and resid 53   and name HG2%)
   (( segid " 1SG" and resid 53   and name HA  ))
      2.000     0.500     0.500 peak   684 spectrum    1 weight  0.10000E+01 volume  0.85810E-02 ppm1      1.079 ppm2      4.054 CV     1
 OR {  684}
   (  segid " 1SG" and resid 53   and name HG1%)
   (( segid " 1SG" and resid 53   and name HA  ))
 ASSI {  685}
   (( segid " 1SG" and resid 44   and name HA1 ))
   (( segid " 1SG" and resid 44   and name HA2 ))
      2.000     0.500     0.500 peak   685 spectrum    1 weight  0.10000E+01 volume  0.51564E-02 ppm1      3.476 ppm2      3.825 CV     1
 ASSI {  689}
   (  segid " 1SG" and resid 57   and name HD1%)
   (( segid " 1SG" and resid 57   and name HG  ))
      2.200     0.600     0.600 peak   689 spectrum    1 weight  0.10000E+01 volume  0.51287E-02 ppm1      0.618 ppm2      0.749 CV     1
 OR {  689}
   (  segid " 1SG" and resid 57   and name HD2%)
   (( segid " 1SG" and resid 57   and name HG  ))
 ASSI {  690}
   (  segid " 1SG" and resid 53   and name HG1%)
   (  segid " 1SG" and resid 59   and name HD1%)
      2.500     0.800     0.800 peak   690 spectrum    1 weight  0.10000E+01 volume  0.85810E-02 ppm1      1.118 ppm2      0.869 CV     1
 ASSI {  691}
   (  segid " 1SG" and resid 53   and name HG1%)
   (  segid " 1SG" and resid 57   and name HD1%)
      2.500     0.800     0.800 peak   691 spectrum    1 weight  0.10000E+01 volume  0.85810E-02 ppm1      1.118 ppm2      0.614 CV     1
 OR {  691}
   (  segid " 1SG" and resid 53   and name HG1%)
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI {  692}
   (  segid " 1SG" and resid 53   and name HG1%)
   (  segid " 1SG" and resid 53   and name HG2%)
      2.100     0.600     0.600 peak   692 spectrum    1 weight  0.10000E+01 volume  0.85810E-02 ppm1      1.122 ppm2      1.070 CV     1
 ASSI {  695}
   (  segid " 1SG" and resid 53   and name HG2%)
   (  segid " 1SG" and resid 57   and name HD1%)
      2.300     0.600     0.600 peak   695 spectrum    1 weight  0.10000E+01 volume  0.50667E-02 ppm1      1.077 ppm2      0.618 CV     1
 OR {  695}
   (  segid " 1SG" and resid 53   and name HG2%)
   (  segid " 1SG" and resid 57   and name HD2%)
 OR {  695}
   (  segid " 1SG" and resid 53   and name HG1%)
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI {  698}
   (( segid " 1SG" and resid 68   and name HE2 ))
   (( segid " 1SG" and resid 68   and name HG2 ))
      2.400     0.700     0.700 peak   698 spectrum    1 weight  0.10000E+01 volume  0.50526E-02 ppm1      3.029 ppm2      1.285 CV     1
 OR {  698}
   (( segid " 1SG" and resid 68   and name HE1 ))
   (( segid " 1SG" and resid 68   and name HG2 ))
 OR {  698}
   (( segid " 1SG" and resid 68   and name HE2 ))
   (( segid " 1SG" and resid 68   and name HG1 ))
 OR {  698}
   (( segid " 1SG" and resid 68   and name HE1 ))
   (( segid " 1SG" and resid 68   and name HG1 ))
 ASSI {  699}
   (  segid " 1SG" and resid 53   and name HG1%)
   (( segid " 1SG" and resid 53   and name HA  ))
      2.100     0.600     0.600 peak   699 spectrum    1 weight  0.10000E+01 volume  0.85810E-02 ppm1      1.119 ppm2      4.050 CV     1
 ASSI {  712}
   (( segid " 1SG" and resid 27   and name HD2 ))
   (( segid " 1SG" and resid 27   and name HB2 ))
      2.300     0.700     0.700 peak   712 spectrum    1 weight  0.10000E+01 volume  0.49252E-02 ppm1      3.128 ppm2      1.583 CV     1
 OR {  712}
   (( segid " 1SG" and resid 27   and name HD2 ))
   (( segid " 1SG" and resid 27   and name HB1 ))
 OR {  712}
   (( segid " 1SG" and resid 27   and name HD1 ))
   (( segid " 1SG" and resid 27   and name HB2 ))
 OR {  712}
   (( segid " 1SG" and resid 27   and name HD1 ))
   (( segid " 1SG" and resid 27   and name HB1 ))
 ASSI {  725}
   (  segid " 1SG" and resid 71   and name HD1%)
   (( segid " 1SG" and resid 71   and name HB2 ))
      2.100     0.600     0.600 peak   725 spectrum    1 weight  0.10000E+01 volume  0.85972E-02 ppm1      0.856 ppm2      1.270 CV     1
 ASSI {  731}
   (  segid " 1SG" and resid 91   and name HG1%)
   (( segid " 1SG" and resid 91   and name HB  ))
      2.200     0.600     0.600 peak   731 spectrum    1 weight  0.10000E+01 volume  0.48267E-02 ppm1      0.175 ppm2      1.130 CV     1
 OR {  731}
   (  segid " 1SG" and resid 91   and name HG2%)
   (( segid " 1SG" and resid 91   and name HB  ))
 ASSI {  739}
   (( segid " 1SG" and resid 14   and name HA2 ))
   (( segid " 1SG" and resid 14   and name HA1 ))
      2.000     0.500     0.500 peak   739 spectrum    1 weight  0.10000E+01 volume  0.47870E-02 ppm1      4.937 ppm2      3.749 CV     1
 ASSI {  742}
   (( segid " 1SG" and resid 4    and name HG12))
   (  segid " 1SG" and resid 4    and name HD1%)
      2.300     0.700     0.700 peak   742 spectrum    1 weight  0.10000E+01 volume  0.47721E-02 ppm1      1.241 ppm2      0.966 CV     1
 ASSI {  745}
   (( segid " 1SG" and resid 43   and name HE2 ))
   (( segid " 1SG" and resid 43   and name HG2 ))
      2.000     0.500     0.500 peak   745 spectrum    1 weight  0.10000E+01 volume  0.86083E-02 ppm1      2.518 ppm2      0.081 CV     1
 ASSI {  751}
   (  segid " 1SG" and resid 93   and name HG2%)
   (  segid " 1SG" and resid 6    and name HD1%)
      2.300     0.700     0.700 peak   751 spectrum    1 weight  0.10000E+01 volume  0.47212E-02 ppm1      1.039 ppm2      0.675 CV     1
 ASSI {  760}
   (( segid " 1SG" and resid 68   and name HD2 ))
   (( segid " 1SG" and resid 68   and name HE1 ))
      2.400     0.700     0.700 peak   760 spectrum    1 weight  0.10000E+01 volume  0.46535E-02 ppm1      1.678 ppm2      3.029 CV     1
 OR {  760}
   (( segid " 1SG" and resid 68   and name HD1 ))
   (( segid " 1SG" and resid 68   and name HE2 ))
 OR {  760}
   (( segid " 1SG" and resid 68   and name HD2 ))
   (( segid " 1SG" and resid 68   and name HE2 ))
 OR {  760}
   (( segid " 1SG" and resid 68   and name HD1 ))
   (( segid " 1SG" and resid 68   and name HE1 ))
 ASSI {  761}
   (  segid " 1SG" and resid 6    and name HD1%)
   (( segid " 1SG" and resid 6    and name HA  ))
      2.300     0.700     0.700 peak   761 spectrum    1 weight  0.10000E+01 volume  0.46360E-02 ppm1      0.673 ppm2      4.461 CV     1
 ASSI {  765}
   (  segid " 1SG" and resid 79   and name HB% )
   (  segid " 1SG" and resid 106  and name HG1%)
      2.700     0.900     0.900 peak   765 spectrum    1 weight  0.10000E+01 volume  0.46126E-02 ppm1      1.194 ppm2      0.689 CV     1
 ASSI {  773}
   (( segid " 1SG" and resid 93   and name HB  ))
   (( segid " 1SG" and resid 93   and name HA  ))
      2.400     0.700     0.700 peak   773 spectrum    1 weight  0.10000E+01 volume  0.45579E-02 ppm1      4.558 ppm2      4.791 CV     1
 ASSI {  775}
   (  segid " 1SG" and resid 77   and name HG2%)
   (( segid " 1SG" and resid 77   and name HA  ))
      2.300     0.700     0.700 peak   775 spectrum    1 weight  0.10000E+01 volume  0.45513E-02 ppm1      1.047 ppm2      4.663 CV     1
 ASSI {  776}
   (( segid " 1SG" and resid 108  and name HG2 ))
   (( segid " 1SG" and resid 108  and name HB2 ))
      2.400     0.700     0.700 peak   776 spectrum    1 weight  0.10000E+01 volume  0.45453E-02 ppm1      2.213 ppm2      1.913 CV     1
 OR {  776}
   (( segid " 1SG" and resid 108  and name HG1 ))
   (( segid " 1SG" and resid 108  and name HB2 ))
 ASSI {  777}
   (( segid " 1SG" and resid 65   and name HD1 ))
   (( segid " 1SG" and resid 65   and name HB2 ))
      2.500     0.800     0.800 peak   777 spectrum    1 weight  0.10000E+01 volume  0.45433E-02 ppm1      3.235 ppm2      1.762 CV     1
 OR {  777}
   (( segid " 1SG" and resid 65   and name HD2 ))
   (( segid " 1SG" and resid 65   and name HB2 ))
 OR {  777}
   (( segid " 1SG" and resid 65   and name HD2 ))
   (( segid " 1SG" and resid 65   and name HB1 ))
 OR {  777}
   (( segid " 1SG" and resid 65   and name HD1 ))
   (( segid " 1SG" and resid 65   and name HB1 ))
 ASSI {  778}
   (  segid " 1SG" and resid 39   and name HG2%)
   (  segid " 1SG" and resid 91   and name HG2%)
      2.200     0.600     0.600 peak   778 spectrum    1 weight  0.10000E+01 volume  0.45395E-02 ppm1     -0.446 ppm2      0.165 CV     1
 ASSI {  784}
   (( segid " 1SG" and resid 29   and name HA  ))
   (( segid " 1SG" and resid 6    and name HA  ))
      2.800     2.800     3.200 peak   784 spectrum    1 weight  0.10000E+01 volume  0.45247E-02 ppm1      4.446 ppm2      4.446 CV     1
 ASSI {  785}
   (( segid " 1SG" and resid 16   and name HA  ))
   (  segid " 1SG" and resid 16   and name HG1%)
      2.400     0.700     0.700 peak   785 spectrum    1 weight  0.10000E+01 volume  0.45173E-02 ppm1      4.604 ppm2      0.981 CV     1
 ASSI {  787}
   (( segid " 1SG" and resid 61   and name HB2 ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      2.700     2.700     3.300 peak   787 spectrum    1 weight  0.10000E+01 volume  0.45045E-02 ppm1      2.304 ppm2      2.785 CV     1
 ASSI {  789}
   (  segid " 1SG" and resid 79   and name HB% )
   (  segid " 1SG" and resid 104  and name HD2%)
      2.300     0.700     0.700 peak   789 spectrum    1 weight  0.10000E+01 volume  0.44789E-02 ppm1      1.197 ppm2      0.828 CV     1
 ASSI {  795}
   (( segid " 1SG" and resid 30   and name HA1 ))
   (( segid " 1SG" and resid 30   and name HA2 ))
      2.100     0.500     0.500 peak   795 spectrum    1 weight  0.10000E+01 volume  0.44603E-02 ppm1      3.952 ppm2      4.673 CV     1
 ASSI {  798}
   (( segid " 1SG" and resid 35   and name HE1 ))
   (  segid " 1SG" and resid 38   and name HG2%)
      2.400     0.700     0.700 peak   798 spectrum    1 weight  0.10000E+01 volume  0.44546E-02 ppm1      2.906 ppm2      0.791 CV     1
 OR {  798}
   (( segid " 1SG" and resid 35   and name HE2 ))
   (  segid " 1SG" and resid 38   and name HG2%)
 ASSI {  801}
   (  segid " 1SG" and resid 28   and name HG2%)
   (  segid " 1SG" and resid 91   and name HG2%)
      2.900     1.100     1.100 peak   801 spectrum    1 weight  0.10000E+01 volume  0.44365E-02 ppm1      0.651 ppm2      0.165 CV     1
 ASSI {  802}
   (( segid " 1SG" and resid 79   and name HA  ))
   (  segid " 1SG" and resid 79   and name HB% )
      2.300     0.700     0.700 peak   802 spectrum    1 weight  0.10000E+01 volume  0.44316E-02 ppm1      3.689 ppm2      1.194 CV     1
 ASSI {  804}
   (  segid " 1SG" and resid 91   and name HG2%)
   (  segid " 1SG" and resid 6    and name HD2%)
      2.300     0.700     0.700 peak   804 spectrum    1 weight  0.10000E+01 volume  0.44272E-02 ppm1      0.186 ppm2      0.489 CV     1
 OR {  804}
   (  segid " 1SG" and resid 91   and name HG1%)
   (  segid " 1SG" and resid 6    and name HD2%)
 ASSI {  808}
   (( segid " 1SG" and resid 57   and name HG  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      2.200     0.600     0.600 peak   808 spectrum    1 weight  0.10000E+01 volume  0.43997E-02 ppm1      0.750 ppm2      1.460 CV     1
 ASSI {  814}
   (( segid " 1SG" and resid 34   and name HA  ))
   (( segid " 1SG" and resid 34   and name HB2 ))
      2.400     0.700     0.700 peak   814 spectrum    1 weight  0.10000E+01 volume  0.43799E-02 ppm1      4.298 ppm2      1.673 CV     1
 OR {  814}
   (( segid " 1SG" and resid 34   and name HA  ))
   (( segid " 1SG" and resid 34   and name HB1 ))
 ASSI {  816}
   (  segid " 1SG" and resid 16   and name HG2%)
   (  segid " 1SG" and resid 79   and name HB% )
      2.300     0.700     0.700 peak   816 spectrum    1 weight  0.10000E+01 volume  0.43688E-02 ppm1      0.628 ppm2      1.196 CV     1
 ASSI {  818}
   (( segid " 1SG" and resid 12   and name HG1 ))
   (( segid " 1SG" and resid 12   and name HB2 ))
      2.400     0.700     0.700 peak   818 spectrum    1 weight  0.10000E+01 volume  0.43613E-02 ppm1      2.482 ppm2      1.977 CV     1
 OR {  818}
   (( segid " 1SG" and resid 12   and name HG2 ))
   (( segid " 1SG" and resid 12   and name HB2 ))
 ASSI {  826}
   (  segid " 1SG" and resid 26   and name HB% )
   (( segid " 1SG" and resid 26   and name HA  ))
      2.300     0.700     0.700 peak   826 spectrum    1 weight  0.10000E+01 volume  0.43079E-02 ppm1      1.469 ppm2      4.924 CV     1
 ASSI {  828}
   (( segid " 1SG" and resid 80   and name HG1 ))
   (( segid " 1SG" and resid 80   and name HB2 ))
      2.400     0.700     0.700 peak   828 spectrum    1 weight  0.10000E+01 volume  0.42759E-02 ppm1      2.181 ppm2      1.949 CV     1
 OR {  828}
   (( segid " 1SG" and resid 80   and name HG1 ))
   (( segid " 1SG" and resid 80   and name HB1 ))
 OR {  828}
   (( segid " 1SG" and resid 80   and name HG2 ))
   (( segid " 1SG" and resid 80   and name HB2 ))
 OR {  828}
   (( segid " 1SG" and resid 80   and name HG2 ))
   (( segid " 1SG" and resid 80   and name HB1 ))
 ASSI {  836}
   (  segid " 1SG" and resid 4    and name HG2%)
   (( segid " 1SG" and resid 4    and name HB  ))
      2.300     0.600     0.600 peak   836 spectrum    1 weight  0.10000E+01 volume  0.41389E-02 ppm1      0.914 ppm2      2.051 CV     1
 ASSI {  837}
   (  segid " 1SG" and resid 33   and name HD1%)
   (  segid " 1SG" and resid 93   and name HG2%)
      2.500     0.800     0.800 peak   837 spectrum    1 weight  0.10000E+01 volume  0.41378E-02 ppm1      0.872 ppm2      1.036 CV     1
 OR {  837}
   (  segid " 1SG" and resid 33   and name HD2%)
   (  segid " 1SG" and resid 93   and name HG2%)
 ASSI {  845}
   (  segid " 1SG" and resid 23   and name HG2%)
   (( segid " 1SG" and resid 23   and name HA  ))
      2.400     0.700     0.700 peak   845 spectrum    1 weight  0.10000E+01 volume  0.40998E-02 ppm1      0.784 ppm2      5.116 CV     1
 ASSI {  852}
   (( segid " 1SG" and resid 45   and name HD1 ))
   (( segid " 1SG" and resid 45   and name HG2 ))
      2.400     0.700     0.700 peak   852 spectrum    1 weight  0.10000E+01 volume  0.40702E-02 ppm1      1.241 ppm2      0.603 CV     1
 OR {  852}
   (( segid " 1SG" and resid 45   and name HD2 ))
   (( segid " 1SG" and resid 45   and name HG2 ))
 OR {  852}
   (( segid " 1SG" and resid 45   and name HD2 ))
   (( segid " 1SG" and resid 45   and name HB2 ))
 OR {  852}
   (( segid " 1SG" and resid 45   and name HD1 ))
   (( segid " 1SG" and resid 45   and name HB2 ))
 ASSI {  854}
   (  segid " 1SG" and resid 39   and name HG2%)
   (( segid " 1SG" and resid 39   and name HB  ))
      2.300     0.700     0.700 peak   854 spectrum    1 weight  0.10000E+01 volume  0.40472E-02 ppm1     -0.446 ppm2      0.589 CV     1
 ASSI {  857}
   (  segid " 1SG" and resid 47   and name HG1%)
   (( segid " 1SG" and resid 47   and name HB  ))
      2.300     0.700     0.700 peak   857 spectrum    1 weight  0.10000E+01 volume  0.40082E-02 ppm1      0.995 ppm2      2.528 CV     1
 ASSI {  859}
   (  segid " 1SG" and resid 104  and name HD2%)
   (  segid " 1SG" and resid 16   and name HG2%)
      2.800     1.000     1.000 peak   859 spectrum    1 weight  0.10000E+01 volume  0.39896E-02 ppm1      0.837 ppm2      0.615 CV     1
 ASSI {  862}
   (  segid " 1SG" and resid 16   and name HG2%)
   (  segid " 1SG" and resid 106  and name HG2%)
      2.500     0.800     0.800 peak   862 spectrum    1 weight  0.10000E+01 volume  0.39807E-02 ppm1      0.633 ppm2      0.390 CV     1
 ASSI {  866}
   (( segid " 1SG" and resid 55   and name HG2 ))
   (( segid " 1SG" and resid 55   and name HA  ))
      2.500     0.800     0.800 peak   866 spectrum    1 weight  0.10000E+01 volume  0.39558E-02 ppm1      1.990 ppm2      4.001 CV     1
 OR {  866}
   (( segid " 1SG" and resid 55   and name HG1 ))
   (( segid " 1SG" and resid 55   and name HA  ))
 ASSI {  867}
   (  segid " 1SG" and resid 59   and name HD2%)
   (( segid " 1SG" and resid 59   and name HA  ))
      2.400     0.700     0.700 peak   867 spectrum    1 weight  0.10000E+01 volume  0.39427E-02 ppm1      0.713 ppm2      5.190 CV     1
 ASSI {  873}
   (( segid " 1SG" and resid 91   and name HB  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      2.300     0.700     0.700 peak   873 spectrum    1 weight  0.10000E+01 volume  0.39160E-02 ppm1      1.132 ppm2      0.172 CV     1
 ASSI {  882}
   (( segid " 1SG" and resid 38   and name HA  ))
   (  segid " 1SG" and resid 38   and name HG2%)
      2.500     0.800     0.800 peak   882 spectrum    1 weight  0.10000E+01 volume  0.38616E-02 ppm1      3.900 ppm2      0.791 CV     1
 ASSI {  885}
   (( segid " 1SG" and resid 62   and name HB2 ))
   (( segid " 1SG" and resid 62   and name HA  ))
      2.700     0.900     0.900 peak   885 spectrum    1 weight  0.10000E+01 volume  0.38487E-02 ppm1      3.814 ppm2      4.609 CV     1
 ASSI {  887}
   (  segid " 1SG" and resid 93   and name HG2%)
   (( segid " 1SG" and resid 93   and name HA  ))
      2.400     0.700     0.700 peak   887 spectrum    1 weight  0.10000E+01 volume  0.38466E-02 ppm1      1.040 ppm2      4.794 CV     1
 ASSI {  894}
   (( segid " 1SG" and resid 52   and name HD1 ))
   (  segid " 1SG" and resid 47   and name HG1%)
      2.400     2.400     3.600 peak   894 spectrum    1 weight  0.10000E+01 volume  0.38128E-02 ppm1      1.585 ppm2      0.965 CV     1
 OR {  894}
   (( segid " 1SG" and resid 52   and name HD2 ))
   (  segid " 1SG" and resid 47   and name HG1%)
 ASSI {  895}
   (( segid " 1SG" and resid 49   and name HG  ))
   (( segid " 1SG" and resid 49   and name HB2 ))
      2.400     0.700     0.700 peak   895 spectrum    1 weight  0.10000E+01 volume  0.38089E-02 ppm1      0.800 ppm2      1.561 CV     1
 ASSI {  896}
   (  segid " 1SG" and resid 106  and name HG2%)
   (( segid " 1SG" and resid 106  and name HB  ))
      2.300     0.700     0.700 peak   896 spectrum    1 weight  0.10000E+01 volume  0.38071E-02 ppm1      0.392 ppm2      1.861 CV     1
 ASSI {  897}
   (  segid " 1SG" and resid 4    and name HD1%)
   (( segid " 1SG" and resid 96   and name HB2 ))
      2.300     0.700     0.700 peak   897 spectrum    1 weight  0.10000E+01 volume  0.38029E-02 ppm1      0.965 ppm2      1.581 CV     1
 ASSI {  902}
   (( segid " 1SG" and resid 96   and name HB2 ))
   (( segid " 1SG" and resid 94   and name HD1 ))
      2.300     0.700     0.700 peak   902 spectrum    1 weight  0.10000E+01 volume  0.37829E-02 ppm1      1.580 ppm2      1.690 CV     1
 OR {  902}
   (( segid " 1SG" and resid 96   and name HB2 ))
   (( segid " 1SG" and resid 94   and name HD2 ))
 ASSI {  908}
   (  segid " 1SG" and resid 106  and name HG1%)
   (( segid " 1SG" and resid 106  and name HB  ))
      2.300     0.600     0.600 peak   908 spectrum    1 weight  0.10000E+01 volume  0.37307E-02 ppm1      0.695 ppm2      1.859 CV     1
 ASSI {  910}
   (( segid " 1SG" and resid 96   and name HB2 ))
   (( segid " 1SG" and resid 96   and name HG2 ))
      2.300     0.600     0.600 peak   910 spectrum    1 weight  0.10000E+01 volume  0.37004E-02 ppm1      1.587 ppm2      1.335 CV     1
 OR {  910}
   (( segid " 1SG" and resid 96   and name HB2 ))
   (( segid " 1SG" and resid 96   and name HG1 ))
 ASSI {  913}
   (  segid " 1SG" and resid 59   and name HD1%)
   (( segid " 1SG" and resid 59   and name HG  ))
      2.200     0.600     0.600 peak   913 spectrum    1 weight  0.10000E+01 volume  0.36788E-02 ppm1      0.866 ppm2      1.440 CV     1
 ASSI {  931}
   (( segid " 1SG" and resid 65   and name HB1 ))
   (( segid " 1SG" and resid 65   and name HA  ))
      2.500     0.800     0.800 peak   931 spectrum    1 weight  0.10000E+01 volume  0.35996E-02 ppm1      1.768 ppm2      3.458 CV     1
 OR {  931}
   (( segid " 1SG" and resid 65   and name HB2 ))
   (( segid " 1SG" and resid 65   and name HA  ))
 ASSI {  932}
   (  segid " 1SG" and resid 71   and name HD1%)
   (( segid " 1SG" and resid 71   and name HA  ))
      2.400     0.700     0.700 peak   932 spectrum    1 weight  0.10000E+01 volume  0.35996E-02 ppm1      0.861 ppm2      5.068 CV     1
 ASSI {  934}
   (  segid " 1SG" and resid 39   and name HG1%)
   (( segid " 1SG" and resid 39   and name HB  ))
      2.400     0.700     0.700 peak   934 spectrum    1 weight  0.10000E+01 volume  0.35932E-02 ppm1     -0.065 ppm2      0.591 CV     1
 ASSI {  935}
   (( segid " 1SG" and resid 49   and name HG  ))
   (( segid " 1SG" and resid 49   and name HA  ))
      2.200     0.600     0.600 peak   935 spectrum    1 weight  0.10000E+01 volume  0.35900E-02 ppm1      0.803 ppm2      3.862 CV     1
 ASSI {  937}
   (( segid " 1SG" and resid 86   and name HA1 ))
   (( segid " 1SG" and resid 86   and name HA2 ))
      2.200     0.600     0.600 peak   937 spectrum    1 weight  0.10000E+01 volume  0.35585E-02 ppm1      3.487 ppm2      4.665 CV     1
 ASSI {  944}
   (( segid " 1SG" and resid 51   and name HA  ))
   (( segid " 1SG" and resid 51   and name HB2 ))
      2.500     0.800     0.800 peak   944 spectrum    1 weight  0.10000E+01 volume  0.35103E-02 ppm1      4.566 ppm2      4.025 CV     1
 ASSI {  947}
   (( segid " 1SG" and resid 16   and name HB  ))
   (  segid " 1SG" and resid 16   and name HG1%)
      2.400     0.700     0.700 peak   947 spectrum    1 weight  0.10000E+01 volume  0.34893E-02 ppm1      1.819 ppm2      0.980 CV     1
 ASSI {  949}
   (( segid " 1SG" and resid 16   and name HB  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      2.400     0.700     0.700 peak   949 spectrum    1 weight  0.10000E+01 volume  0.34824E-02 ppm1      1.824 ppm2      0.622 CV     1
 ASSI {  952}
   (( segid " 1SG" and resid 95   and name HA  ))
   (( segid " 1SG" and resid 95   and name HB2 ))
      2.500     0.800     0.800 peak   952 spectrum    1 weight  0.10000E+01 volume  0.34786E-02 ppm1      4.737 ppm2      2.633 CV     1
 ASSI {  953}
   (( segid " 1SG" and resid 77   and name HB  ))
   (( segid " 1SG" and resid 77   and name HA  ))
      2.300     0.600     0.600 peak   953 spectrum    1 weight  0.10000E+01 volume  0.34758E-02 ppm1      4.029 ppm2      4.666 CV     1
 ASSI {  955}
   (( segid " 1SG" and resid 53   and name HA  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      2.300     0.700     0.700 peak   955 spectrum    1 weight  0.10000E+01 volume  0.34705E-02 ppm1      4.054 ppm2      1.080 CV     1
 ASSI {  963}
   (  segid " 1SG" and resid 74   and name HD1%)
   (  segid " 1SG" and resid 49   and name HD2%)
      2.400     0.700     0.700 peak   963 spectrum    1 weight  0.10000E+01 volume  0.34258E-02 ppm1      0.410 ppm2      1.032 CV     1
 OR {  963}
   (  segid " 1SG" and resid 74   and name HD2%)
   (  segid " 1SG" and resid 49   and name HD2%)
 ASSI {  965}
   (( segid " 1SG" and resid 3    and name HD1 ))
   (( segid " 1SG" and resid 4    and name HB  ))
      2.100     2.100     3.900 peak   965 spectrum    1 weight  0.10000E+01 volume  0.34208E-02 ppm1      3.857 ppm2      2.022 CV     1
 OR {  965}
   (( segid " 1SG" and resid 3    and name HD2 ))
   (( segid " 1SG" and resid 4    and name HB  ))
 ASSI {  966}
   (( segid " 1SG" and resid 61   and name HA  ))
   (( segid " 1SG" and resid 72   and name HA  ))
      2.200     0.600     0.600 peak   966 spectrum    1 weight  0.10000E+01 volume  0.34148E-02 ppm1      5.559 ppm2      5.379 CV     1
 ASSI {  969}
   (  segid " 1SG" and resid 47   and name HG2%)
   (( segid " 1SG" and resid 47   and name HA  ))
      2.600     0.900     0.900 peak   969 spectrum    1 weight  0.10000E+01 volume  0.34014E-02 ppm1      0.793 ppm2      4.074 CV     1
 ASSI {  972}
   (  segid " 1SG" and resid 106  and name HG1%)
   (( segid " 1SG" and resid 106  and name HA  ))
      2.700     0.900     0.900 peak   972 spectrum    1 weight  0.10000E+01 volume  0.33786E-02 ppm1      0.694 ppm2      4.732 CV     1
 ASSI {  978}
   (  segid " 1SG" and resid 104  and name HD1%)
   (( segid " 1SG" and resid 104  and name HA  ))
      2.800     1.000     1.000 peak   978 spectrum    1 weight  0.10000E+01 volume  0.33616E-02 ppm1      0.981 ppm2      5.437 CV     1
 ASSI {  984}
   (  segid " 1SG" and resid 22   and name HD1%)
   (( segid " 1SG" and resid 104  and name HB2 ))
      2.700     0.900     0.900 peak   984 spectrum    1 weight  0.10000E+01 volume  0.33235E-02 ppm1      0.549 ppm2      1.243 CV     1
 OR {  984}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 104  and name HB2 ))
 ASSI {  986}
   (  segid " 1SG" and resid 74   and name HD2%)
   (( segid " 1SG" and resid 74   and name HG  ))
      2.400     0.700     0.700 peak   986 spectrum    1 weight  0.10000E+01 volume  0.33133E-02 ppm1      0.409 ppm2      1.098 CV     1
 OR {  986}
   (  segid " 1SG" and resid 74   and name HD1%)
   (( segid " 1SG" and resid 74   and name HG  ))
 ASSI {  990}
   (  segid " 1SG" and resid 18   and name HG2%)
   (( segid " 1SG" and resid 108  and name HA  ))
      2.400     0.700     0.700 peak   990 spectrum    1 weight  0.10000E+01 volume  0.33089E-02 ppm1      0.965 ppm2      4.151 CV     1
 ASSI {  991}
   (( segid " 1SG" and resid 55   and name HB2 ))
   (( segid " 1SG" and resid 55   and name HA  ))
      2.600     0.800     0.800 peak   991 spectrum    1 weight  0.10000E+01 volume  0.33056E-02 ppm1      1.787 ppm2      4.002 CV     1
 ASSI {  992}
   (( segid " 1SG" and resid 106  and name HA  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      2.500     0.800     0.800 peak   992 spectrum    1 weight  0.10000E+01 volume  0.33034E-02 ppm1      4.730 ppm2      0.388 CV     1
 ASSI {  993}
   (  segid " 1SG" and resid 4    and name HG2%)
   (( segid " 1SG" and resid 96   and name HB2 ))
      2.500     0.800     0.800 peak   993 spectrum    1 weight  0.10000E+01 volume  0.32949E-02 ppm1      0.918 ppm2      1.588 CV     1
 ASSI { 1002}
   (( segid " 1SG" and resid 47   and name HB  ))
   (  segid " 1SG" and resid 47   and name HG2%)
      2.400     0.700     0.700 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.32549E-02 ppm1      2.530 ppm2      0.796 CV     1
 ASSI { 1004}
   (( segid " 1SG" and resid 33   and name HA  ))
   (( segid " 1SG" and resid 33   and name HB2 ))
      2.500     0.800     0.800 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.32375E-02 ppm1      4.459 ppm2      1.732 CV     1
 ASSI { 1006}
   (( segid " 1SG" and resid 57   and name HA  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      2.200     0.600     0.600 peak  1006 spectrum    1 weight  0.10000E+01 volume  0.32325E-02 ppm1      5.429 ppm2      1.472 CV     1
 ASSI { 1008}
   (( segid " 1SG" and resid 77   and name HA  ))
   (( segid " 1SG" and resid 21   and name HA  ))
      2.100     0.500     0.500 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.32283E-02 ppm1      4.665 ppm2      5.519 CV     1
 ASSI { 1009}
   (( segid " 1SG" and resid 84   and name HA  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      2.500     0.800     0.800 peak  1009 spectrum    1 weight  0.10000E+01 volume  0.32245E-02 ppm1      4.230 ppm2      1.496 CV     1
 ASSI { 1011}
   (  segid " 1SG" and resid 59   and name HD1%)
   (  segid " 1SG" and resid 53   and name HG2%)
      2.400     0.700     0.700 peak  1011 spectrum    1 weight  0.10000E+01 volume  0.32186E-02 ppm1      0.870 ppm2      1.085 CV     1
 ASSI { 1019}
   (( segid " 1SG" and resid 35   and name HA  ))
   (( segid " 1SG" and resid 36   and name HD2 ))
      2.500     0.800     0.800 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.31870E-02 ppm1      4.673 ppm2      3.509 CV     1
 ASSI { 1021}
   (  segid " 1SG" and resid 22   and name HD1%)
   (( segid " 1SG" and resid 22   and name HG12))
      2.400     0.700     0.700 peak  1021 spectrum    1 weight  0.10000E+01 volume  0.31807E-02 ppm1      0.548 ppm2      0.108 CV     1
 OR { 1021}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 22   and name HG12))
 ASSI { 1023}
   (( segid " 1SG" and resid 108  and name HA  ))
   (  segid " 1SG" and resid 18   and name HG2%)
      2.500     0.800     0.800 peak  1023 spectrum    1 weight  0.10000E+01 volume  0.31756E-02 ppm1      4.150 ppm2      0.966 CV     1
 OR { 1023}
   (( segid " 1SG" and resid 108  and name HA  ))
   (  segid " 1SG" and resid 18   and name HG1%)
 ASSI { 1037}
   (  segid " 1SG" and resid 91   and name HG2%)
   (( segid " 1SG" and resid 91   and name HA  ))
      2.500     0.800     0.800 peak  1037 spectrum    1 weight  0.10000E+01 volume  0.31227E-02 ppm1      0.180 ppm2      4.756 CV     1
 OR { 1037}
   (  segid " 1SG" and resid 91   and name HG1%)
   (( segid " 1SG" and resid 91   and name HA  ))
 ASSI { 1038}
   (( segid " 1SG" and resid 53   and name HB  ))
   (( segid " 1SG" and resid 52   and name HB2 ))
      3.200     3.200     2.800 peak  1038 spectrum    1 weight  0.10000E+01 volume  0.31224E-02 ppm1      2.169 ppm2      1.731 CV     1
 ASSI { 1047}
   (( segid " 1SG" and resid 16   and name HB  ))
   (( segid " 1SG" and resid 16   and name HA  ))
      2.500     0.800     0.800 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.30843E-02 ppm1      1.820 ppm2      4.604 CV     1
 ASSI { 1051}
   (( segid " 1SG" and resid 43   and name HD1 ))
   (  segid " 1SG" and resid 59   and name HD1%)
      3.200     3.200     2.800 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.30730E-02 ppm1      1.331 ppm2      0.856 CV     1
 OR { 1051}
   (( segid " 1SG" and resid 43   and name HD2 ))
   (  segid " 1SG" and resid 59   and name HD1%)
 ASSI { 1055}
   (( segid " 1SG" and resid 71   and name HB2 ))
   (( segid " 1SG" and resid 69   and name HB  ))
      2.500     2.500     3.500 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.30607E-02 ppm1      1.264 ppm2      1.770 CV     1
 ASSI { 1057}
   (  segid " 1SG" and resid 79   and name HB% )
   (  segid " 1SG" and resid 106  and name HG2%)
      2.500     0.800     0.800 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.30570E-02 ppm1      1.196 ppm2      0.392 CV     1
 ASSI { 1058}
   (( segid " 1SG" and resid 94   and name HB2 ))
   (( segid " 1SG" and resid 94   and name HG1 ))
      2.500     0.800     0.800 peak  1058 spectrum    1 weight  0.10000E+01 volume  0.30503E-02 ppm1      1.791 ppm2      1.414 CV     1
 OR { 1058}
   (( segid " 1SG" and resid 94   and name HB2 ))
   (( segid " 1SG" and resid 94   and name HG2 ))
 ASSI { 1068}
   (( segid " 1SG" and resid 35   and name HB1 ))
   (( segid " 1SG" and resid 35   and name HG2 ))
      2.500     0.800     0.800 peak  1068 spectrum    1 weight  0.10000E+01 volume  0.30045E-02 ppm1      1.791 ppm2      1.358 CV     1
 OR { 1068}
   (( segid " 1SG" and resid 35   and name HB2 ))
   (( segid " 1SG" and resid 35   and name HG2 ))
 OR { 1068}
   (( segid " 1SG" and resid 35   and name HB1 ))
   (( segid " 1SG" and resid 35   and name HG1 ))
 OR { 1068}
   (( segid " 1SG" and resid 35   and name HB2 ))
   (( segid " 1SG" and resid 35   and name HG1 ))
 ASSI { 1077}
   (  segid " 1SG" and resid 69   and name HG1%)
   (( segid " 1SG" and resid 29   and name HA  ))
      2.500     0.800     0.800 peak  1077 spectrum    1 weight  0.10000E+01 volume  0.29671E-02 ppm1      0.863 ppm2      4.391 CV     1
 OR { 1077}
   (  segid " 1SG" and resid 69   and name HG2%)
   (( segid " 1SG" and resid 29   and name HA  ))
 ASSI { 1078}
   (( segid " 1SG" and resid 76   and name HB  ))
   (  segid " 1SG" and resid 76   and name HG2%)
      2.400     0.700     0.700 peak  1078 spectrum    1 weight  0.10000E+01 volume  0.29479E-02 ppm1      1.936 ppm2      0.826 CV     1
 ASSI { 1080}
   (( segid " 1SG" and resid 58   and name HB1 ))
   (( segid " 1SG" and resid 58   and name HG2 ))
      2.500     0.800     0.800 peak  1080 spectrum    1 weight  0.10000E+01 volume  0.29417E-02 ppm1      2.406 ppm2      1.814 CV     1
 OR { 1080}
   (( segid " 1SG" and resid 58   and name HB2 ))
   (( segid " 1SG" and resid 58   and name HG2 ))
 ASSI { 1081}
   (( segid " 1SG" and resid 76   and name HB  ))
   (  segid " 1SG" and resid 22   and name HG2%)
      2.300     0.700     0.700 peak  1081 spectrum    1 weight  0.10000E+01 volume  0.29399E-02 ppm1      1.938 ppm2      0.610 CV     1
 ASSI { 1082}
   (( segid " 1SG" and resid 57   and name HG  ))
   (  segid " 1SG" and resid 74   and name HD1%)
      3.000     1.100     1.100 peak  1082 spectrum    1 weight  0.10000E+01 volume  0.29361E-02 ppm1      0.751 ppm2      0.415 CV     1
 OR { 1082}
   (( segid " 1SG" and resid 57   and name HG  ))
   (  segid " 1SG" and resid 74   and name HD2%)
 ASSI { 1083}
   (( segid " 1SG" and resid 22   and name HG12))
   (( segid " 1SG" and resid 104  and name HB2 ))
      2.200     0.600     0.600 peak  1083 spectrum    1 weight  0.10000E+01 volume  0.29353E-02 ppm1      0.106 ppm2      1.251 CV     1
 ASSI { 1088}
   (  segid " 1SG" and resid 39   and name HG2%)
   (( segid " 1SG" and resid 39   and name HA  ))
      2.500     0.800     0.800 peak  1088 spectrum    1 weight  0.10000E+01 volume  0.29315E-02 ppm1     -0.447 ppm2      4.803 CV     1
 ASSI { 1092}
   (( segid " 1SG" and resid 18   and name HA  ))
   (  segid " 1SG" and resid 18   and name HG1%)
      2.500     0.800     0.800 peak  1092 spectrum    1 weight  0.10000E+01 volume  0.29078E-02 ppm1      3.510 ppm2      0.968 CV     1
 OR { 1092}
   (( segid " 1SG" and resid 18   and name HA  ))
   (  segid " 1SG" and resid 18   and name HG2%)
 ASSI { 1095}
   (( segid " 1SG" and resid 9    and name HG2 ))
   (( segid " 1SG" and resid 9    and name HB2 ))
      2.600     0.900     0.900 peak  1095 spectrum    1 weight  0.10000E+01 volume  0.28992E-02 ppm1      2.524 ppm2      1.911 CV     1
 ASSI { 1097}
   (( segid " 1SG" and resid 18   and name HA  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      2.500     0.800     0.800 peak  1097 spectrum    1 weight  0.10000E+01 volume  0.28901E-02 ppm1      3.516 ppm2      0.390 CV     1
 ASSI { 1101}
   (  segid " 1SG" and resid 28   and name HG1%)
   (  segid " 1SG" and resid 91   and name HG2%)
      2.500     0.800     0.800 peak  1101 spectrum    1 weight  0.10000E+01 volume  0.28649E-02 ppm1      0.830 ppm2      0.179 CV     1
 OR { 1101}
   (  segid " 1SG" and resid 28   and name HG1%)
   (  segid " 1SG" and resid 91   and name HG1%)
 ASSI { 1102}
   (( segid " 1SG" and resid 27   and name HD1 ))
   (( segid " 1SG" and resid 27   and name HG2 ))
      2.500     0.800     0.800 peak  1102 spectrum    1 weight  0.10000E+01 volume  0.28609E-02 ppm1      3.131 ppm2      1.704 CV     1
 OR { 1102}
   (( segid " 1SG" and resid 27   and name HD2 ))
   (( segid " 1SG" and resid 27   and name HG1 ))
 OR { 1102}
   (( segid " 1SG" and resid 27   and name HD2 ))
   (( segid " 1SG" and resid 27   and name HG2 ))
 OR { 1102}
   (( segid " 1SG" and resid 27   and name HD1 ))
   (( segid " 1SG" and resid 27   and name HG1 ))
 ASSI { 1105}
   (  segid " 1SG" and resid 28   and name HG2%)
   (( segid " 1SG" and resid 28   and name HA  ))
      2.600     0.800     0.800 peak  1105 spectrum    1 weight  0.10000E+01 volume  0.28395E-02 ppm1      0.652 ppm2      4.910 CV     1
 ASSI { 1109}
   (( segid " 1SG" and resid 3    and name HB2 ))
   (( segid " 1SG" and resid 3    and name HA  ))
      2.600     0.800     0.800 peak  1109 spectrum    1 weight  0.10000E+01 volume  0.28312E-02 ppm1      2.293 ppm2      4.452 CV     1
 OR { 1109}
   (( segid " 1SG" and resid 3    and name HB1 ))
   (( segid " 1SG" and resid 3    and name HA  ))
 ASSI { 1115}
   (( segid " 1SG" and resid 52   and name HD2 ))
   (( segid " 1SG" and resid 52   and name HA  ))
      2.600     0.800     0.800 peak  1115 spectrum    1 weight  0.10000E+01 volume  0.28248E-02 ppm1      1.579 ppm2      4.625 CV     1
 OR { 1115}
   (( segid " 1SG" and resid 52   and name HD1 ))
   (( segid " 1SG" and resid 52   and name HA  ))
 ASSI { 1118}
   (( segid " 1SG" and resid 43   and name HD2 ))
   (  segid " 1SG" and resid 47   and name HG1%)
      2.800     1.000     1.000 peak  1118 spectrum    1 weight  0.10000E+01 volume  0.28068E-02 ppm1      1.324 ppm2      0.983 CV     1
 OR { 1118}
   (( segid " 1SG" and resid 43   and name HD1 ))
   (  segid " 1SG" and resid 47   and name HG1%)
 ASSI { 1127}
   (( segid " 1SG" and resid 107  and name HA  ))
   (( segid " 1SG" and resid 107  and name HB2 ))
      2.600     0.800     0.800 peak  1127 spectrum    1 weight  0.10000E+01 volume  0.27758E-02 ppm1      4.805 ppm2      3.085 CV     1
 OR { 1127}
   (( segid " 1SG" and resid 107  and name HA  ))
   (( segid " 1SG" and resid 107  and name HB1 ))
 ASSI { 1129}
   (( segid " 1SG" and resid 96   and name HA  ))
   (( segid " 1SG" and resid 96   and name HG1 ))
      2.500     0.800     0.800 peak  1129 spectrum    1 weight  0.10000E+01 volume  0.27691E-02 ppm1      4.790 ppm2      1.336 CV     1
 OR { 1129}
   (( segid " 1SG" and resid 96   and name HA  ))
   (( segid " 1SG" and resid 96   and name HG2 ))
 ASSI { 1135}
   (  segid " 1SG" and resid 59   and name HD2%)
   (( segid " 1SG" and resid 74   and name HA  ))
      2.900     1.100     1.100 peak  1135 spectrum    1 weight  0.10000E+01 volume  0.27558E-02 ppm1      0.717 ppm2      4.346 CV     1
 ASSI { 1151}
   (( segid " 1SG" and resid 18   and name HA  ))
   (  segid " 1SG" and resid 18   and name HG1%)
      2.600     0.800     0.800 peak  1151 spectrum    1 weight  0.10000E+01 volume  0.27146E-02 ppm1      3.513 ppm2      1.007 CV     1
 ASSI { 1152}
   (  segid " 1SG" and resid 69   and name HG1%)
   (( segid " 1SG" and resid 27   and name HD2 ))
      2.600     0.900     0.900 peak  1152 spectrum    1 weight  0.10000E+01 volume  0.27144E-02 ppm1      0.852 ppm2      3.126 CV     1
 OR { 1152}
   (  segid " 1SG" and resid 69   and name HG1%)
   (( segid " 1SG" and resid 27   and name HD1 ))
 ASSI { 1153}
   (( segid " 1SG" and resid 17   and name HA  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      2.600     0.800     0.800 peak  1153 spectrum    1 weight  0.10000E+01 volume  0.27139E-02 ppm1      4.789 ppm2      1.298 CV     1
 ASSI { 1154}
   (( segid " 1SG" and resid 15   and name HA  ))
   (( segid " 1SG" and resid 15   and name HB2 ))
      2.600     0.800     0.800 peak  1154 spectrum    1 weight  0.10000E+01 volume  0.27133E-02 ppm1      5.494 ppm2      2.015 CV     1
 OR { 1154}
   (( segid " 1SG" and resid 15   and name HA  ))
   (( segid " 1SG" and resid 15   and name HB1 ))
 ASSI { 1155}
   (( segid " 1SG" and resid 71   and name HB2 ))
   (  segid " 1SG" and resid 8    and name HG2%)
      2.200     2.200     3.800 peak  1155 spectrum    1 weight  0.10000E+01 volume  0.27104E-02 ppm1      1.326 ppm2      0.961 CV     1
 OR { 1155}
   (( segid " 1SG" and resid 71   and name HB2 ))
   (  segid " 1SG" and resid 8    and name HG1%)
 ASSI { 1156}
   (  segid " 1SG" and resid 59   and name HD2%)
   (( segid " 1SG" and resid 59   and name HB1 ))
      2.600     0.900     0.900 peak  1156 spectrum    1 weight  0.10000E+01 volume  0.27077E-02 ppm1      0.714 ppm2      1.697 CV     1
 OR { 1156}
   (  segid " 1SG" and resid 59   and name HD2%)
   (( segid " 1SG" and resid 59   and name HB2 ))
 ASSI { 1161}
   (( segid " 1SG" and resid 59   and name HB1 ))
   (  segid " 1SG" and resid 59   and name HD1%)
      2.400     0.700     0.700 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.26836E-02 ppm1      1.712 ppm2      0.868 CV     1
 OR { 1161}
   (( segid " 1SG" and resid 59   and name HB2 ))
   (  segid " 1SG" and resid 59   and name HD1%)
 ASSI { 1176}
   (  segid " 1SG" and resid 4    and name HG2%)
   (  segid " 1SG" and resid 6    and name HD2%)
      2.900     1.000     1.000 peak  1176 spectrum    1 weight  0.10000E+01 volume  0.26287E-02 ppm1      0.914 ppm2      0.491 CV     1
 ASSI { 1183}
   (( segid " 1SG" and resid 45   and name HA  ))
   (( segid " 1SG" and resid 45   and name HG2 ))
      2.600     0.800     0.800 peak  1183 spectrum    1 weight  0.10000E+01 volume  0.26105E-02 ppm1      3.497 ppm2      0.609 CV     1
 OR { 1183}
   (( segid " 1SG" and resid 45   and name HA  ))
   (( segid " 1SG" and resid 45   and name HB2 ))
 ASSI { 1189}
   (( segid " 1SG" and resid 94   and name HA  ))
   (( segid " 1SG" and resid 94   and name HB2 ))
      2.700     0.900     0.900 peak  1189 spectrum    1 weight  0.10000E+01 volume  0.26007E-02 ppm1      4.042 ppm2      1.799 CV     1
 ASSI { 1190}
   (( segid " 1SG" and resid 2    and name HB2 ))
   (( segid " 1SG" and resid 1    and name HA  ))
      2.900     1.100     1.100 peak  1190 spectrum    1 weight  0.10000E+01 volume  0.25996E-02 ppm1      2.684 ppm2      4.619 CV     1
 ASSI { 1191}
   (  segid " 1SG" and resid 76   and name HD1%)
   (( segid " 1SG" and resid 59   and name HG  ))
      2.200     2.200     3.800 peak  1191 spectrum    1 weight  0.10000E+01 volume  0.25967E-02 ppm1      0.677 ppm2      1.411 CV     1
 ASSI { 1202}
   (( segid " 1SG" and resid 2    and name HB2 ))
   (( segid " 1SG" and resid 96   and name HE1 ))
      3.000     3.000     3.000 peak  1202 spectrum    1 weight  0.10000E+01 volume  0.25355E-02 ppm1      2.692 ppm2      2.944 CV     1
 OR { 1202}
   (( segid " 1SG" and resid 2    and name HB2 ))
   (( segid " 1SG" and resid 96   and name HE2 ))
 ASSI { 1205}
   (  segid " 1SG" and resid 28   and name HG2%)
   (( segid " 1SG" and resid 28   and name HB  ))
      2.600     0.800     0.800 peak  1205 spectrum    1 weight  0.10000E+01 volume  0.25296E-02 ppm1      0.652 ppm2      1.978 CV     1
 ASSI { 1215}
   (( segid " 1SG" and resid 25   and name HB2 ))
   (  segid " 1SG" and resid 71   and name HD1%)
      2.700     0.900     0.900 peak  1215 spectrum    1 weight  0.10000E+01 volume  0.24908E-02 ppm1      3.603 ppm2      0.862 CV     1
 ASSI { 1219}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 22   and name HB  ))
      2.400     0.700     0.700 peak  1219 spectrum    1 weight  0.10000E+01 volume  0.24811E-02 ppm1      0.612 ppm2      1.535 CV     1
 ASSI { 1220}
   (  segid " 1SG" and resid 28   and name HG1%)
   (( segid " 1SG" and resid 28   and name HB  ))
      2.500     0.800     0.800 peak  1220 spectrum    1 weight  0.10000E+01 volume  0.24730E-02 ppm1      0.816 ppm2      1.976 CV     1
 ASSI { 1223}
   (( segid " 1SG" and resid 53   and name HB  ))
   (( segid " 1SG" and resid 53   and name HA  ))
      2.600     0.800     0.800 peak  1223 spectrum    1 weight  0.10000E+01 volume  0.24626E-02 ppm1      2.132 ppm2      4.051 CV     1
 ASSI { 1236}
   (( segid " 1SG" and resid 59   and name HA  ))
   (( segid " 1SG" and resid 59   and name HB2 ))
      2.400     0.700     0.700 peak  1236 spectrum    1 weight  0.10000E+01 volume  0.24310E-02 ppm1      5.198 ppm2      1.702 CV     1
 OR { 1236}
   (( segid " 1SG" and resid 59   and name HA  ))
   (( segid " 1SG" and resid 59   and name HB1 ))
 ASSI { 1239}
   (( segid " 1SG" and resid 64   and name HA  ))
   (( segid " 1SG" and resid 64   and name HB2 ))
      2.700     0.900     0.900 peak  1239 spectrum    1 weight  0.10000E+01 volume  0.24266E-02 ppm1      4.580 ppm2      2.354 CV     1
 ASSI { 1242}
   (( segid " 1SG" and resid 43   and name HD1 ))
   (( segid " 1SG" and resid 57   and name HG  ))
      2.500     0.800     0.800 peak  1242 spectrum    1 weight  0.10000E+01 volume  0.24206E-02 ppm1      1.333 ppm2      0.743 CV     1
 OR { 1242}
   (( segid " 1SG" and resid 43   and name HD2 ))
   (( segid " 1SG" and resid 57   and name HG  ))
 ASSI { 1243}
   (( segid " 1SG" and resid 22   and name HG12))
   (  segid " 1SG" and resid 22   and name HD1%)
      2.500     0.800     0.800 peak  1243 spectrum    1 weight  0.10000E+01 volume  0.24168E-02 ppm1      0.102 ppm2      0.551 CV     1
 ASSI { 1244}
   (( segid " 1SG" and resid 52   and name HE2 ))
   (( segid " 1SG" and resid 52   and name HD2 ))
      2.600     0.900     0.900 peak  1244 spectrum    1 weight  0.10000E+01 volume  0.24141E-02 ppm1      2.788 ppm2      1.574 CV     1
 OR { 1244}
   (( segid " 1SG" and resid 52   and name HE2 ))
   (( segid " 1SG" and resid 52   and name HD1 ))
 ASSI { 1246}
   (  segid " 1SG" and resid 104  and name HD1%)
   (( segid " 1SG" and resid 104  and name HB2 ))
      2.400     0.700     0.700 peak  1246 spectrum    1 weight  0.10000E+01 volume  0.24102E-02 ppm1      0.976 ppm2      1.219 CV     1
 ASSI { 1251}
   (( segid " 1SG" and resid 80   and name HA  ))
   (( segid " 1SG" and resid 81   and name HD2 ))
      2.600     0.800     0.800 peak  1251 spectrum    1 weight  0.10000E+01 volume  0.23963E-02 ppm1      4.639 ppm2      3.592 CV     1
 ASSI { 1254}
   (( segid " 1SG" and resid 57   and name HA  ))
   (( segid " 1SG" and resid 76   and name HA  ))
      2.300     0.700     0.700 peak  1254 spectrum    1 weight  0.10000E+01 volume  0.23901E-02 ppm1      5.425 ppm2      5.012 CV     1
 ASSI { 1255}
   (( segid " 1SG" and resid 45   and name HB2 ))
   (  segid " 1SG" and resid 104  and name HD2%)
      2.900     2.900     3.100 peak  1255 spectrum    1 weight  0.10000E+01 volume  0.23894E-02 ppm1      0.615 ppm2      0.827 CV     1
 ASSI { 1259}
   (( segid " 1SG" and resid 22   and name HA  ))
   (( segid " 1SG" and resid 22   and name HB  ))
      2.400     0.700     0.700 peak  1259 spectrum    1 weight  0.10000E+01 volume  0.23825E-02 ppm1      4.352 ppm2      1.534 CV     1
 ASSI { 1266}
   (  segid " 1SG" and resid 22   and name HD1%)
   (( segid " 1SG" and resid 14   and name HA1 ))
      2.500     0.800     0.800 peak  1266 spectrum    1 weight  0.10000E+01 volume  0.23597E-02 ppm1      0.548 ppm2      3.749 CV     1
 ASSI { 1267}
   (( segid " 1SG" and resid 59   and name HG  ))
   (( segid " 1SG" and resid 57   and name HG  ))
      3.500     3.500     2.500 peak  1267 spectrum    1 weight  0.10000E+01 volume  0.23588E-02 ppm1      1.460 ppm2      0.749 CV     1
 ASSI { 1272}
   (( segid " 1SG" and resid 58   and name HA  ))
   (( segid " 1SG" and resid 58   and name HB1 ))
      2.600     0.800     0.800 peak  1272 spectrum    1 weight  0.10000E+01 volume  0.23456E-02 ppm1      4.626 ppm2      2.405 CV     1
 OR { 1272}
   (( segid " 1SG" and resid 58   and name HA  ))
   (( segid " 1SG" and resid 58   and name HB2 ))
 ASSI { 1274}
   (( segid " 1SG" and resid 65   and name HA  ))
   (( segid " 1SG" and resid 65   and name HG1 ))
      2.800     1.000     1.000 peak  1274 spectrum    1 weight  0.10000E+01 volume  0.23358E-02 ppm1      3.458 ppm2      1.692 CV     1
 OR { 1274}
   (( segid " 1SG" and resid 65   and name HA  ))
   (( segid " 1SG" and resid 65   and name HG2 ))
 ASSI { 1281}
   (( segid " 1SG" and resid 49   and name HG  ))
   (( segid " 1SG" and resid 43   and name HD1 ))
      2.600     0.900     0.900 peak  1281 spectrum    1 weight  0.10000E+01 volume  0.23234E-02 ppm1      0.802 ppm2      1.337 CV     1
 OR { 1281}
   (( segid " 1SG" and resid 49   and name HG  ))
   (( segid " 1SG" and resid 43   and name HD2 ))
 ASSI { 1282}
   (( segid " 1SG" and resid 78   and name HA  ))
   (( segid " 1SG" and resid 78   and name HB2 ))
      2.600     0.900     0.900 peak  1282 spectrum    1 weight  0.10000E+01 volume  0.23211E-02 ppm1      4.117 ppm2      2.383 CV     1
 ASSI { 1285}
   (  segid " 1SG" and resid 8    and name HG1%)
   (( segid " 1SG" and resid 29   and name HA  ))
      2.800     1.000     1.000 peak  1285 spectrum    1 weight  0.10000E+01 volume  0.23163E-02 ppm1      0.964 ppm2      4.391 CV     1
 OR { 1285}
   (  segid " 1SG" and resid 8    and name HG2%)
   (( segid " 1SG" and resid 29   and name HA  ))
 ASSI { 1286}
   (  segid " 1SG" and resid 8    and name HG2%)
   (  segid " 1SG" and resid 6    and name HD2%)
      2.900     2.900     3.100 peak  1286 spectrum    1 weight  0.10000E+01 volume  0.23157E-02 ppm1      0.928 ppm2      0.476 CV     1
 ASSI { 1288}
   (( segid " 1SG" and resid 96   and name HA  ))
   (( segid " 1SG" and resid 94   and name HE2 ))
      2.900     1.000     1.000 peak  1288 spectrum    1 weight  0.10000E+01 volume  0.23007E-02 ppm1      4.809 ppm2      3.001 CV     1
 OR { 1288}
   (( segid " 1SG" and resid 96   and name HA  ))
   (( segid " 1SG" and resid 94   and name HE1 ))
 ASSI { 1295}
   (  segid " 1SG" and resid 76   and name HG2%)
   (  segid " 1SG" and resid 79   and name HB% )
      2.700     0.900     0.900 peak  1295 spectrum    1 weight  0.10000E+01 volume  0.22892E-02 ppm1      0.828 ppm2      1.193 CV     1
 ASSI { 1297}
   (( segid " 1SG" and resid 52   and name HE2 ))
   (( segid " 1SG" and resid 52   and name HG2 ))
      2.700     0.900     0.900 peak  1297 spectrum    1 weight  0.10000E+01 volume  0.22860E-02 ppm1      2.788 ppm2      1.344 CV     1
 OR { 1297}
   (( segid " 1SG" and resid 52   and name HE2 ))
   (( segid " 1SG" and resid 52   and name HG1 ))
 ASSI { 1298}
   (( segid " 1SG" and resid 49   and name HG  ))
   (( segid " 1SG" and resid 43   and name HB2 ))
      2.300     0.600     0.600 peak  1298 spectrum    1 weight  0.10000E+01 volume  0.22836E-02 ppm1      0.801 ppm2      1.228 CV     1
 ASSI { 1302}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 22   and name HG12))
      2.500     0.800     0.800 peak  1302 spectrum    1 weight  0.10000E+01 volume  0.22757E-02 ppm1      0.611 ppm2      0.097 CV     1
 ASSI { 1303}
   (( segid " 1SG" and resid 94   and name HG2 ))
   (( segid " 1SG" and resid 94   and name HA  ))
      3.000     1.200     1.200 peak  1303 spectrum    1 weight  0.10000E+01 volume  0.22754E-02 ppm1      1.416 ppm2      4.044 CV     1
 OR { 1303}
   (( segid " 1SG" and resid 94   and name HG1 ))
   (( segid " 1SG" and resid 94   and name HA  ))
 ASSI { 1309}
   (( segid " 1SG" and resid 96   and name HA  ))
   (( segid " 1SG" and resid 96   and name HB2 ))
      2.600     0.900     0.900 peak  1309 spectrum    1 weight  0.10000E+01 volume  0.22687E-02 ppm1      4.786 ppm2      1.579 CV     1
 ASSI { 1319}
   (  segid " 1SG" and resid 76   and name HG2%)
   (( segid " 1SG" and resid 76   and name HA  ))
      2.600     0.800     0.800 peak  1319 spectrum    1 weight  0.10000E+01 volume  0.22480E-02 ppm1      0.823 ppm2      5.012 CV     1
 ASSI { 1324}
   (  segid " 1SG" and resid 6    and name HD2%)
   (  segid " 1SG" and resid 93   and name HG2%)
      2.800     1.000     1.000 peak  1324 spectrum    1 weight  0.10000E+01 volume  0.22381E-02 ppm1      0.426 ppm2      1.033 CV     1
 ASSI { 1333}
   (( segid " 1SG" and resid 3    and name HA  ))
   (( segid " 1SG" and resid 4    and name HB  ))
      3.300     1.300     1.300 peak  1333 spectrum    1 weight  0.10000E+01 volume  0.22134E-02 ppm1      4.450 ppm2      2.008 CV     1
 ASSI { 1335}
   (( segid " 1SG" and resid 27   and name HA  ))
   (( segid " 1SG" and resid 27   and name HB1 ))
      2.500     0.800     0.800 peak  1335 spectrum    1 weight  0.10000E+01 volume  0.22043E-02 ppm1      5.836 ppm2      1.599 CV     1
 OR { 1335}
   (( segid " 1SG" and resid 27   and name HA  ))
   (( segid " 1SG" and resid 27   and name HB2 ))
 ASSI { 1338}
   (( segid " 1SG" and resid 19   and name HA1 ))
   (( segid " 1SG" and resid 78   and name HA  ))
      2.700     0.900     0.900 peak  1338 spectrum    1 weight  0.10000E+01 volume  0.21982E-02 ppm1      4.274 ppm2      4.121 CV     1
 OR { 1338}
   (( segid " 1SG" and resid 19   and name HA2 ))
   (( segid " 1SG" and resid 78   and name HA  ))
 ASSI { 1343}
   (( segid " 1SG" and resid 35   and name HB1 ))
   (( segid " 1SG" and resid 35   and name HA  ))
      2.600     0.900     0.900 peak  1343 spectrum    1 weight  0.10000E+01 volume  0.21918E-02 ppm1      1.791 ppm2      4.667 CV     1
 OR { 1343}
   (( segid " 1SG" and resid 35   and name HB2 ))
   (( segid " 1SG" and resid 35   and name HA  ))
 ASSI { 1346}
   (  segid " 1SG" and resid 69   and name HG2%)
   (( segid " 1SG" and resid 67   and name HB2 ))
      2.800     1.000     1.000 peak  1346 spectrum    1 weight  0.10000E+01 volume  0.21860E-02 ppm1      0.868 ppm2      3.737 CV     1
 OR { 1346}
   (  segid " 1SG" and resid 69   and name HG2%)
   (( segid " 1SG" and resid 67   and name HB1 ))
 ASSI { 1351}
   (( segid " 1SG" and resid 59   and name HB2 ))
   (( segid " 1SG" and resid 59   and name HG  ))
      2.500     0.800     0.800 peak  1351 spectrum    1 weight  0.10000E+01 volume  0.21745E-02 ppm1      1.699 ppm2      1.439 CV     1
 OR { 1351}
   (( segid " 1SG" and resid 59   and name HB1 ))
   (( segid " 1SG" and resid 59   and name HG  ))
 ASSI { 1353}
   (  segid " 1SG" and resid 104  and name HD2%)
   (( segid " 1SG" and resid 104  and name HB2 ))
      3.100     1.200     1.200 peak  1353 spectrum    1 weight  0.10000E+01 volume  0.21732E-02 ppm1      0.836 ppm2      1.210 CV     1
 ASSI { 1356}
   (  segid " 1SG" and resid 91   and name HG2%)
   (  segid " 1SG" and resid 39   and name HG1%)
      3.200     1.300     1.300 peak  1356 spectrum    1 weight  0.10000E+01 volume  0.21586E-02 ppm1      0.170 ppm2     -0.067 CV     1
 OR { 1356}
   (  segid " 1SG" and resid 91   and name HG1%)
   (  segid " 1SG" and resid 39   and name HG1%)
 ASSI { 1365}
   (( segid " 1SG" and resid 34   and name HG  ))
   (( segid " 1SG" and resid 35   and name HG1 ))
      2.800     1.000     1.000 peak  1365 spectrum    1 weight  0.10000E+01 volume  0.21446E-02 ppm1      0.938 ppm2      1.372 CV     1
 OR { 1365}
   (( segid " 1SG" and resid 34   and name HG  ))
   (( segid " 1SG" and resid 35   and name HG2 ))
 ASSI { 1367}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 22   and name HB  ))
      2.500     0.800     0.800 peak  1367 spectrum    1 weight  0.10000E+01 volume  0.21401E-02 ppm1      0.558 ppm2      1.537 CV     1
 OR { 1367}
   (  segid " 1SG" and resid 22   and name HD1%)
   (( segid " 1SG" and resid 22   and name HB  ))
 ASSI { 1368}
   (  segid " 1SG" and resid 106  and name HG2%)
   (( segid " 1SG" and resid 81   and name HA  ))
      2.600     0.800     0.800 peak  1368 spectrum    1 weight  0.10000E+01 volume  0.21394E-02 ppm1      0.389 ppm2      4.015 CV     1
 ASSI { 1375}
   (  segid " 1SG" and resid 4    and name HG2%)
   (  segid " 1SG" and resid 6    and name HD1%)
      2.700     0.900     0.900 peak  1375 spectrum    1 weight  0.10000E+01 volume  0.21169E-02 ppm1      0.911 ppm2      0.677 CV     1
 ASSI { 1378}
   (( segid " 1SG" and resid 68   and name HG2 ))
   (( segid " 1SG" and resid 68   and name HA  ))
      2.700     0.900     0.900 peak  1378 spectrum    1 weight  0.10000E+01 volume  0.21152E-02 ppm1      1.279 ppm2      3.604 CV     1
 OR { 1378}
   (( segid " 1SG" and resid 68   and name HG1 ))
   (( segid " 1SG" and resid 68   and name HA  ))
 ASSI { 1382}
   (  segid " 1SG" and resid 49   and name HD2%)
   (  segid " 1SG" and resid 49   and name HD1%)
      2.500     0.800     0.800 peak  1382 spectrum    1 weight  0.10000E+01 volume  0.21088E-02 ppm1      1.033 ppm2      1.768 CV     1
 ASSI { 1390}
   (( segid " 1SG" and resid 45   and name HE2 ))
   (( segid " 1SG" and resid 45   and name HD1 ))
      2.700     0.900     0.900 peak  1390 spectrum    1 weight  0.10000E+01 volume  0.20925E-02 ppm1      2.582 ppm2      1.239 CV     1
 OR { 1390}
   (( segid " 1SG" and resid 45   and name HE2 ))
   (( segid " 1SG" and resid 45   and name HD2 ))
 ASSI { 1393}
   (  segid " 1SG" and resid 6    and name HD1%)
   (  segid " 1SG" and resid 91   and name HG2%)
      2.800     1.000     1.000 peak  1393 spectrum    1 weight  0.10000E+01 volume  0.20839E-02 ppm1      0.673 ppm2      0.183 CV     1
 OR { 1393}
   (  segid " 1SG" and resid 6    and name HD1%)
   (  segid " 1SG" and resid 91   and name HG1%)
 ASSI { 1397}
   (( segid " 1SG" and resid 22   and name HB  ))
   (  segid " 1SG" and resid 22   and name HD1%)
      2.700     0.900     0.900 peak  1397 spectrum    1 weight  0.10000E+01 volume  0.20758E-02 ppm1      1.541 ppm2      0.551 CV     1
 ASSI { 1399}
   (( segid " 1SG" and resid 31   and name HA  ))
   (( segid " 1SG" and resid 68   and name HD2 ))
      2.700     0.900     0.900 peak  1399 spectrum    1 weight  0.10000E+01 volume  0.20716E-02 ppm1      4.175 ppm2      1.683 CV     1
 OR { 1399}
   (( segid " 1SG" and resid 31   and name HA  ))
   (( segid " 1SG" and resid 68   and name HD1 ))
 ASSI { 1400}
   (( segid " 1SG" and resid 91   and name HA  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      2.700     0.900     0.900 peak  1400 spectrum    1 weight  0.10000E+01 volume  0.20695E-02 ppm1      4.748 ppm2      0.161 CV     1
 ASSI { 1402}
   (( segid " 1SG" and resid 68   and name HG2 ))
   (( segid " 1SG" and resid 68   and name HB2 ))
      2.700     0.900     0.900 peak  1402 spectrum    1 weight  0.10000E+01 volume  0.20654E-02 ppm1      1.273 ppm2      1.772 CV     1
 OR { 1402}
   (( segid " 1SG" and resid 68   and name HG1 ))
   (( segid " 1SG" and resid 68   and name HB2 ))
 ASSI { 1404}
   (( segid " 1SG" and resid 37   and name HA  ))
   (( segid " 1SG" and resid 37   and name HB2 ))
      2.900     1.000     1.000 peak  1404 spectrum    1 weight  0.10000E+01 volume  0.20620E-02 ppm1      4.505 ppm2      1.382 CV     1
 OR { 1404}
   (( segid " 1SG" and resid 37   and name HA  ))
   (( segid " 1SG" and resid 37   and name HG2 ))
 ASSI { 1406}
   (  segid " 1SG" and resid 53   and name HG1%)
   (( segid " 1SG" and resid 58   and name HA  ))
      2.800     1.000     1.000 peak  1406 spectrum    1 weight  0.10000E+01 volume  0.20571E-02 ppm1      1.121 ppm2      4.624 CV     1
 ASSI { 1408}
   (( segid " 1SG" and resid 28   and name HA  ))
   (  segid " 1SG" and resid 28   and name HG1%)
      2.600     0.900     0.900 peak  1408 spectrum    1 weight  0.10000E+01 volume  0.20523E-02 ppm1      4.915 ppm2      0.817 CV     1
 ASSI { 1412}
   (  segid " 1SG" and resid 74   and name HD1%)
   (( segid " 1SG" and resid 59   and name HG  ))
      2.500     0.800     0.800 peak  1412 spectrum    1 weight  0.10000E+01 volume  0.20444E-02 ppm1      0.409 ppm2      1.447 CV     1
 OR { 1412}
   (  segid " 1SG" and resid 74   and name HD2%)
   (( segid " 1SG" and resid 59   and name HG  ))
 ASSI { 1420}
   (( segid " 1SG" and resid 75   and name HA  ))
   (( segid " 1SG" and resid 75   and name HB1 ))
      2.700     0.900     0.900 peak  1420 spectrum    1 weight  0.10000E+01 volume  0.20243E-02 ppm1      5.087 ppm2      2.897 CV     1
 OR { 1420}
   (( segid " 1SG" and resid 75   and name HA  ))
   (( segid " 1SG" and resid 75   and name HB2 ))
 ASSI { 1421}
   (( segid " 1SG" and resid 45   and name HD2 ))
   (  segid " 1SG" and resid 104  and name HD2%)
      3.000     3.000     3.000 peak  1421 spectrum    1 weight  0.10000E+01 volume  0.20228E-02 ppm1      1.234 ppm2      0.834 CV     1
 OR { 1421}
   (( segid " 1SG" and resid 45   and name HD1 ))
   (  segid " 1SG" and resid 104  and name HD2%)
 ASSI { 1426}
   (( segid " 1SG" and resid 2    and name HA  ))
   (( segid " 1SG" and resid 2    and name HB2 ))
      2.700     0.900     0.900 peak  1426 spectrum    1 weight  0.10000E+01 volume  0.20168E-02 ppm1      4.912 ppm2      2.661 CV     1
 ASSI { 1428}
   (( segid " 1SG" and resid 33   and name HG  ))
   (( segid " 1SG" and resid 37   and name HG2 ))
      3.300     3.300     2.700 peak  1428 spectrum    1 weight  0.10000E+01 volume  0.20159E-02 ppm1      0.929 ppm2      1.379 CV     1
 OR { 1428}
   (( segid " 1SG" and resid 33   and name HG  ))
   (( segid " 1SG" and resid 37   and name HB2 ))
 ASSI { 1433}
   (( segid " 1SG" and resid 105  and name HB  ))
   (( segid " 1SG" and resid 15   and name HA  ))
      2.600     0.900     0.900 peak  1433 spectrum    1 weight  0.10000E+01 volume  0.20116E-02 ppm1      3.901 ppm2      5.501 CV     1
 ASSI { 1435}
   (( segid " 1SG" and resid 12   and name HA  ))
   (( segid " 1SG" and resid 12   and name HG2 ))
      3.000     1.100     1.100 peak  1435 spectrum    1 weight  0.10000E+01 volume  0.20098E-02 ppm1      4.685 ppm2      2.479 CV     1
 OR { 1435}
   (( segid " 1SG" and resid 12   and name HA  ))
   (( segid " 1SG" and resid 12   and name HG1 ))
 ASSI { 1437}
   (( segid " 1SG" and resid 61   and name HA  ))
   (( segid " 1SG" and resid 61   and name HB2 ))
      2.800     1.000     1.000 peak  1437 spectrum    1 weight  0.10000E+01 volume  0.20084E-02 ppm1      5.569 ppm2      2.306 CV     1
 ASSI { 1443}
   (( segid " 1SG" and resid 22   and name HA  ))
   (( segid " 1SG" and resid 104  and name HB2 ))
      3.500     3.500     2.500 peak  1443 spectrum    1 weight  0.10000E+01 volume  0.19964E-02 ppm1      4.357 ppm2      1.253 CV     1
 ASSI { 1453}
   (( segid " 1SG" and resid 4    and name HA  ))
   (  segid " 1SG" and resid 4    and name HD1%)
      3.400     1.400     1.400 peak  1453 spectrum    1 weight  0.10000E+01 volume  0.19824E-02 ppm1      4.030 ppm2      0.969 CV     1
 ASSI { 1456}
   (( segid " 1SG" and resid 9    and name HA  ))
   (( segid " 1SG" and resid 27   and name HD1 ))
      3.100     1.200     1.200 peak  1456 spectrum    1 weight  0.10000E+01 volume  0.19750E-02 ppm1      4.631 ppm2      3.112 CV     1
 OR { 1456}
   (( segid " 1SG" and resid 9    and name HA  ))
   (( segid " 1SG" and resid 27   and name HD2 ))
 ASSI { 1457}
   (( segid " 1SG" and resid 57   and name HG  ))
   (  segid " 1SG" and resid 49   and name HD2%)
      2.600     0.900     0.900 peak  1457 spectrum    1 weight  0.10000E+01 volume  0.19749E-02 ppm1      0.752 ppm2      1.025 CV     1
 ASSI { 1461}
   (( segid " 1SG" and resid 12   and name HB2 ))
   (( segid " 1SG" and resid 12   and name HA  ))
      3.000     1.100     1.100 peak  1461 spectrum    1 weight  0.10000E+01 volume  0.19638E-02 ppm1      1.970 ppm2      4.684 CV     1
 ASSI { 1470}
   (  segid " 1SG" and resid 106  and name HG1%)
   (( segid " 1SG" and resid 104  and name HG  ))
      2.800     1.000     1.000 peak  1470 spectrum    1 weight  0.10000E+01 volume  0.19541E-02 ppm1      0.689 ppm2      1.337 CV     1
 ASSI { 1471}
   (  segid " 1SG" and resid 76   and name HG2%)
   (( segid " 1SG" and resid 76   and name HG12))
      2.600     0.800     0.800 peak  1471 spectrum    1 weight  0.10000E+01 volume  0.19530E-02 ppm1      0.820 ppm2      1.098 CV     1
 ASSI { 1479}
   (( segid " 1SG" and resid 53   and name HA  ))
   (  segid " 1SG" and resid 57   and name HD1%)
      2.600     0.800     0.800 peak  1479 spectrum    1 weight  0.10000E+01 volume  0.19387E-02 ppm1      4.059 ppm2      0.613 CV     1
 OR { 1479}
   (( segid " 1SG" and resid 53   and name HA  ))
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI { 1481}
   (( segid " 1SG" and resid 40   and name HA  ))
   (( segid " 1SG" and resid 40   and name HB2 ))
      2.700     0.900     0.900 peak  1481 spectrum    1 weight  0.10000E+01 volume  0.19382E-02 ppm1      4.549 ppm2      1.359 CV     1
 ASSI { 1483}
   (  segid " 1SG" and resid 59   and name HD1%)
   (  segid " 1SG" and resid 74   and name HD1%)
      3.400     1.400     1.400 peak  1483 spectrum    1 weight  0.10000E+01 volume  0.19360E-02 ppm1      0.863 ppm2      0.419 CV     1
 OR { 1483}
   (  segid " 1SG" and resid 59   and name HD1%)
   (  segid " 1SG" and resid 74   and name HD2%)
 ASSI { 1490}
   (  segid " 1SG" and resid 77   and name HG2%)
   (( segid " 1SG" and resid 22   and name HB  ))
      3.100     3.100     2.900 peak  1490 spectrum    1 weight  0.10000E+01 volume  0.19179E-02 ppm1      1.074 ppm2      1.515 CV     1
 ASSI { 1493}
   (( segid " 1SG" and resid 21   and name HA  ))
   (( segid " 1SG" and resid 21   and name HB2 ))
      2.600     0.900     0.900 peak  1493 spectrum    1 weight  0.10000E+01 volume  0.19146E-02 ppm1      5.515 ppm2      3.764 CV     1
 ASSI { 1494}
   (( segid " 1SG" and resid 74   and name HB2 ))
   (  segid " 1SG" and resid 74   and name HD2%)
      2.800     1.000     1.000 peak  1494 spectrum    1 weight  0.10000E+01 volume  0.19142E-02 ppm1     -0.825 ppm2      0.419 CV     1
 OR { 1494}
   (( segid " 1SG" and resid 74   and name HB2 ))
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI { 1497}
   (( segid " 1SG" and resid 71   and name HB2 ))
   (  segid " 1SG" and resid 71   and name HD2%)
      2.800     1.000     1.000 peak  1497 spectrum    1 weight  0.10000E+01 volume  0.19108E-02 ppm1      1.272 ppm2      0.752 CV     1
 ASSI { 1504}
   (( segid " 1SG" and resid 105  and name HB  ))
   (( segid " 1SG" and resid 15   and name HG1 ))
      2.800     1.000     1.000 peak  1504 spectrum    1 weight  0.10000E+01 volume  0.19016E-02 ppm1      3.909 ppm2      2.266 CV     1
 OR { 1504}
   (( segid " 1SG" and resid 105  and name HB  ))
   (( segid " 1SG" and resid 15   and name HG2 ))
 ASSI { 1508}
   (( segid " 1SG" and resid 76   and name HB  ))
   (  segid " 1SG" and resid 76   and name HD1%)
      2.600     0.800     0.800 peak  1508 spectrum    1 weight  0.10000E+01 volume  0.18913E-02 ppm1      1.941 ppm2      0.670 CV     1
 ASSI { 1515}
   (( segid " 1SG" and resid 18   and name HA  ))
   (( segid " 1SG" and resid 18   and name HB  ))
      2.700     0.900     0.900 peak  1515 spectrum    1 weight  0.10000E+01 volume  0.18826E-02 ppm1      3.515 ppm2      1.933 CV     1
 ASSI { 1516}
   (( segid " 1SG" and resid 36   and name HB2 ))
   (( segid " 1SG" and resid 36   and name HG2 ))
      2.600     0.800     0.800 peak  1516 spectrum    1 weight  0.10000E+01 volume  0.18805E-02 ppm1      1.634 ppm2      1.985 CV     1
 ASSI { 1518}
   (( segid " 1SG" and resid 34   and name HA  ))
   (( segid " 1SG" and resid 94   and name HA  ))
      3.200     3.200     2.800 peak  1518 spectrum    1 weight  0.10000E+01 volume  0.18792E-02 ppm1      4.293 ppm2      4.063 CV     1
 ASSI { 1523}
   (( segid " 1SG" and resid 59   and name HG  ))
   (  segid " 1SG" and resid 57   and name HD2%)
      3.500     1.600     1.600 peak  1523 spectrum    1 weight  0.10000E+01 volume  0.18692E-02 ppm1      1.446 ppm2      0.612 CV     1
 OR { 1523}
   (( segid " 1SG" and resid 59   and name HG  ))
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI { 1529}
   (( segid " 1SG" and resid 25   and name HA  ))
   (( segid " 1SG" and resid 73   and name HA  ))
      2.600     0.800     0.800 peak  1529 spectrum    1 weight  0.10000E+01 volume  0.18602E-02 ppm1      5.692 ppm2      5.470 CV     1
 ASSI { 1539}
   (( segid " 1SG" and resid 106  and name HA  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      2.700     0.900     0.900 peak  1539 spectrum    1 weight  0.10000E+01 volume  0.18474E-02 ppm1      4.721 ppm2      0.624 CV     1
 ASSI { 1545}
   (( segid " 1SG" and resid 14   and name HA2 ))
   (  segid " 1SG" and resid 22   and name HD1%)
      3.500     1.500     1.500 peak  1545 spectrum    1 weight  0.10000E+01 volume  0.18281E-02 ppm1      4.934 ppm2      0.546 CV     1
 ASSI { 1547}
   (  segid " 1SG" and resid 18   and name HG2%)
   (( segid " 1SG" and resid 81   and name HD2 ))
      3.300     1.300     1.300 peak  1547 spectrum    1 weight  0.10000E+01 volume  0.18249E-02 ppm1      0.966 ppm2      3.590 CV     1
 ASSI { 1554}
   (  segid " 1SG" and resid 71   and name HD2%)
   (  segid " 1SG" and resid 74   and name HD2%)
      3.100     3.100     2.900 peak  1554 spectrum    1 weight  0.10000E+01 volume  0.18148E-02 ppm1      0.716 ppm2      0.408 CV     1
 OR { 1554}
   (  segid " 1SG" and resid 71   and name HD2%)
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI { 1580}
   (( segid " 1SG" and resid 61   and name HB2 ))
   (( segid " 1SG" and resid 63   and name HB2 ))
      2.800     2.800     3.200 peak  1580 spectrum    1 weight  0.10000E+01 volume  0.17770E-02 ppm1      2.281 ppm2      2.543 CV     1
 ASSI { 1587}
   (  segid " 1SG" and resid 39   and name HG1%)
   (( segid " 1SG" and resid 39   and name HA  ))
      2.700     0.900     0.900 peak  1587 spectrum    1 weight  0.10000E+01 volume  0.17733E-02 ppm1     -0.057 ppm2      4.810 CV     1
 ASSI { 1598}
   (( segid " 1SG" and resid 53   and name HA  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      3.300     1.400     1.400 peak  1598 spectrum    1 weight  0.10000E+01 volume  0.17586E-02 ppm1      4.052 ppm2      1.467 CV     1
 ASSI { 1605}
   (( segid " 1SG" and resid 88   and name HB2 ))
   (( segid " 1SG" and resid 40   and name HD1 ))
      2.900     2.900     3.100 peak  1605 spectrum    1 weight  0.10000E+01 volume  0.17527E-02 ppm1      1.705 ppm2      1.711 CV     1
 OR { 1605}
   (( segid " 1SG" and resid 88   and name HB2 ))
   (( segid " 1SG" and resid 40   and name HD2 ))
 ASSI { 1614}
   (( segid " 1SG" and resid 58   and name HA  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      3.200     1.300     1.300 peak  1614 spectrum    1 weight  0.10000E+01 volume  0.17391E-02 ppm1      4.624 ppm2      1.078 CV     1
 ASSI { 1616}
   (( segid " 1SG" and resid 108  and name HG1 ))
   (( segid " 1SG" and resid 108  and name HA  ))
      2.900     1.000     1.000 peak  1616 spectrum    1 weight  0.10000E+01 volume  0.17352E-02 ppm1      2.201 ppm2      4.149 CV     1
 OR { 1616}
   (( segid " 1SG" and resid 108  and name HG2 ))
   (( segid " 1SG" and resid 108  and name HA  ))
 ASSI { 1617}
   (( segid " 1SG" and resid 74   and name HB2 ))
   (  segid " 1SG" and resid 57   and name HD2%)
      3.600     1.600     1.600 peak  1617 spectrum    1 weight  0.10000E+01 volume  0.17348E-02 ppm1     -0.817 ppm2      0.626 CV     1
 OR { 1617}
   (( segid " 1SG" and resid 74   and name HB2 ))
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI { 1622}
   (( segid " 1SG" and resid 45   and name HG2 ))
   (( segid " 1SG" and resid 45   and name HA  ))
      2.700     0.900     0.900 peak  1622 spectrum    1 weight  0.10000E+01 volume  0.17317E-02 ppm1      0.599 ppm2      3.499 CV     1
 ASSI { 1624}
   (( segid " 1SG" and resid 68   and name HA  ))
   (( segid " 1SG" and resid 68   and name HB2 ))
      2.700     0.900     0.900 peak  1624 spectrum    1 weight  0.10000E+01 volume  0.17298E-02 ppm1      3.604 ppm2      1.772 CV     1
 ASSI { 1631}
   (( segid " 1SG" and resid 16   and name HB  ))
   (  segid " 1SG" and resid 22   and name HD1%)
      3.400     3.400     2.600 peak  1631 spectrum    1 weight  0.10000E+01 volume  0.17156E-02 ppm1      1.820 ppm2      0.552 CV     1
 ASSI { 1634}
   (  segid " 1SG" and resid 59   and name HD1%)
   (( segid " 1SG" and resid 43   and name HB2 ))
      3.500     3.500     2.500 peak  1634 spectrum    1 weight  0.10000E+01 volume  0.17072E-02 ppm1      0.832 ppm2      1.231 CV     1
 ASSI { 1636}
   (( segid " 1SG" and resid 8    and name HB  ))
   (( segid " 1SG" and resid 27   and name HB2 ))
      2.700     0.900     0.900 peak  1636 spectrum    1 weight  0.10000E+01 volume  0.17033E-02 ppm1      1.813 ppm2      1.600 CV     1
 OR { 1636}
   (( segid " 1SG" and resid 8    and name HB  ))
   (( segid " 1SG" and resid 27   and name HB1 ))
 ASSI { 1638}
   (( segid " 1SG" and resid 108  and name HA  ))
   (  segid " 1SG" and resid 18   and name HG1%)
      3.100     1.200     1.200 peak  1638 spectrum    1 weight  0.10000E+01 volume  0.16977E-02 ppm1      4.155 ppm2      1.005 CV     1
 ASSI { 1643}
   (( segid " 1SG" and resid 45   and name HB2 ))
   (( segid " 1SG" and resid 45   and name HA  ))
      2.900     1.000     1.000 peak  1643 spectrum    1 weight  0.10000E+01 volume  0.16933E-02 ppm1      0.604 ppm2      3.498 CV     1
 ASSI { 1653}
   (( segid " 1SG" and resid 4    and name HB  ))
   (( segid " 1SG" and resid 96   and name HB2 ))
      2.800     1.000     1.000 peak  1653 spectrum    1 weight  0.10000E+01 volume  0.16766E-02 ppm1      2.052 ppm2      1.589 CV     1
 ASSI { 1657}
   (( segid " 1SG" and resid 52   and name HD1 ))
   (( segid " 1SG" and resid 48   and name HB2 ))
      2.400     2.400     3.600 peak  1657 spectrum    1 weight  0.10000E+01 volume  0.16680E-02 ppm1      1.575 ppm2      2.922 CV     1
 OR { 1657}
   (( segid " 1SG" and resid 52   and name HD2 ))
   (( segid " 1SG" and resid 48   and name HB2 ))
 ASSI { 1671}
   (( segid " 1SG" and resid 60   and name HB2 ))
   (( segid " 1SG" and resid 60   and name HA  ))
      2.900     1.100     1.100 peak  1671 spectrum    1 weight  0.10000E+01 volume  0.16525E-02 ppm1      2.975 ppm2      5.071 CV     1
 ASSI { 1672}
   (( segid " 1SG" and resid 43   and name HD1 ))
   (  segid " 1SG" and resid 49   and name HD1%)
      3.300     1.300     1.300 peak  1672 spectrum    1 weight  0.10000E+01 volume  0.16515E-02 ppm1      1.322 ppm2      1.761 CV     1
 OR { 1672}
   (( segid " 1SG" and resid 43   and name HD2 ))
   (  segid " 1SG" and resid 49   and name HD1%)
 ASSI { 1676}
   (( segid " 1SG" and resid 36   and name HA  ))
   (( segid " 1SG" and resid 37   and name HD2 ))
      2.800     1.000     1.000 peak  1676 spectrum    1 weight  0.10000E+01 volume  0.16473E-02 ppm1      4.005 ppm2      2.360 CV     1
 ASSI { 1689}
   (( segid " 1SG" and resid 16   and name HA  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      3.200     1.300     1.300 peak  1689 spectrum    1 weight  0.10000E+01 volume  0.16318E-02 ppm1      4.604 ppm2      0.629 CV     1
 ASSI { 1694}
   (( segid " 1SG" and resid 57   and name HB2 ))
   (  segid " 1SG" and resid 57   and name HD2%)
      2.900     1.000     1.000 peak  1694 spectrum    1 weight  0.10000E+01 volume  0.16228E-02 ppm1      1.477 ppm2      0.615 CV     1
 OR { 1694}
   (( segid " 1SG" and resid 57   and name HB2 ))
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI { 1700}
   (( segid " 1SG" and resid 35   and name HG1 ))
   (( segid " 1SG" and resid 35   and name HA  ))
      3.200     1.300     1.300 peak  1700 spectrum    1 weight  0.10000E+01 volume  0.16174E-02 ppm1      1.361 ppm2      4.667 CV     1
 OR { 1700}
   (( segid " 1SG" and resid 35   and name HG2 ))
   (( segid " 1SG" and resid 35   and name HA  ))
 ASSI { 1703}
   (( segid " 1SG" and resid 25   and name HB2 ))
   (( segid " 1SG" and resid 25   and name HA  ))
      3.100     1.200     1.200 peak  1703 spectrum    1 weight  0.10000E+01 volume  0.16167E-02 ppm1      3.602 ppm2      5.692 CV     1
 ASSI { 1707}
   (( segid " 1SG" and resid 105  and name HA  ))
   (( segid " 1SG" and resid 84   and name HA  ))
      2.800     1.000     1.000 peak  1707 spectrum    1 weight  0.10000E+01 volume  0.16138E-02 ppm1      4.518 ppm2      4.230 CV     1
 ASSI { 1720}
   (( segid " 1SG" and resid 36   and name HA  ))
   (( segid " 1SG" and resid 36   and name HB2 ))
      3.100     1.200     1.200 peak  1720 spectrum    1 weight  0.10000E+01 volume  0.16015E-02 ppm1      4.007 ppm2      1.642 CV     1
 ASSI { 1726}
   (( segid " 1SG" and resid 88   and name HA  ))
   (( segid " 1SG" and resid 100  and name HB2 ))
      3.200     3.200     2.800 peak  1726 spectrum    1 weight  0.10000E+01 volume  0.15937E-02 ppm1      5.349 ppm2      2.953 CV     1
 ASSI { 1727}
   (  segid " 1SG" and resid 104  and name HD1%)
   (  segid " 1SG" and resid 24   and name HE% )
      3.100     1.200     1.200 peak  1727 spectrum    1 weight  0.10000E+01 volume  0.15919E-02 ppm1      0.987 ppm2      7.171 CV     1
 ASSI { 1730}
   (  segid " 1SG" and resid 49   and name HD2%)
   (( segid " 1SG" and resid 59   and name HB2 ))
      2.600     0.800     0.800 peak  1730 spectrum    1 weight  0.10000E+01 volume  0.15912E-02 ppm1      1.042 ppm2      1.718 CV     1
 OR { 1730}
   (  segid " 1SG" and resid 49   and name HD2%)
   (( segid " 1SG" and resid 59   and name HB1 ))
 ASSI { 1748}
   (( segid " 1SG" and resid 23   and name HB  ))
   (( segid " 1SG" and resid 23   and name HA  ))
      2.900     1.000     1.000 peak  1748 spectrum    1 weight  0.10000E+01 volume  0.15671E-02 ppm1      3.583 ppm2      5.116 CV     1
 ASSI { 1752}
   (  segid " 1SG" and resid 74   and name HD1%)
   (  segid " 1SG" and resid 59   and name HD1%)
      3.300     1.400     1.400 peak  1752 spectrum    1 weight  0.10000E+01 volume  0.15585E-02 ppm1      0.412 ppm2      0.852 CV     1
 ASSI { 1760}
   (( segid " 1SG" and resid 49   and name HB2 ))
   (( segid " 1SG" and resid 52   and name HB2 ))
      3.300     3.300     2.700 peak  1760 spectrum    1 weight  0.10000E+01 volume  0.15469E-02 ppm1      1.571 ppm2      1.728 CV     1
 ASSI { 1764}
   (  segid " 1SG" and resid 76   and name HG2%)
   (( segid " 1SG" and resid 79   and name HA  ))
      2.800     1.000     1.000 peak  1764 spectrum    1 weight  0.10000E+01 volume  0.15419E-02 ppm1      0.825 ppm2      3.685 CV     1
 ASSI { 1771}
   (( segid " 1SG" and resid 36   and name HD2 ))
   (( segid " 1SG" and resid 36   and name HG2 ))
      2.600     0.900     0.900 peak  1771 spectrum    1 weight  0.10000E+01 volume  0.15369E-02 ppm1      3.510 ppm2      1.963 CV     1
 ASSI { 1789}
   (( segid " 1SG" and resid 9    and name HB2 ))
   (( segid " 1SG" and resid 9    and name HA  ))
      2.800     1.000     1.000 peak  1789 spectrum    1 weight  0.10000E+01 volume  0.15259E-02 ppm1      1.915 ppm2      4.655 CV     1
 ASSI { 1791}
   (( segid " 1SG" and resid 8    and name HB  ))
   (( segid " 1SG" and resid 8    and name HA  ))
      2.900     1.100     1.100 peak  1791 spectrum    1 weight  0.10000E+01 volume  0.15237E-02 ppm1      1.840 ppm2      4.168 CV     1
 ASSI { 1799}
   (  segid " 1SG" and resid 93   and name HG2%)
   (  segid " 1SG" and resid 91   and name HG2%)
      2.600     0.900     0.900 peak  1799 spectrum    1 weight  0.10000E+01 volume  0.15152E-02 ppm1      1.042 ppm2      0.183 CV     1
 OR { 1799}
   (  segid " 1SG" and resid 93   and name HG2%)
   (  segid " 1SG" and resid 91   and name HG1%)
 ASSI { 1800}
   (  segid " 1SG" and resid 18   and name HG2%)
   (( segid " 1SG" and resid 80   and name HE21))
      3.200     3.200     2.800 peak  1800 spectrum    1 weight  0.10000E+01 volume  0.15145E-02 ppm1      0.979 ppm2      6.971 CV     1
 ASSI { 1802}
   (( segid " 1SG" and resid 72   and name HB2 ))
   (( segid " 1SG" and resid 72   and name HA  ))
      2.900     1.100     1.100 peak  1802 spectrum    1 weight  0.10000E+01 volume  0.15109E-02 ppm1      2.934 ppm2      5.351 CV     1
 ASSI { 1807}
   (( segid " 1SG" and resid 92   and name HB2 ))
   (  segid " 1SG" and resid 93   and name HG2%)
      3.300     3.300     2.700 peak  1807 spectrum    1 weight  0.10000E+01 volume  0.15061E-02 ppm1      3.877 ppm2      1.043 CV     1
 OR { 1807}
   (( segid " 1SG" and resid 92   and name HB1 ))
   (  segid " 1SG" and resid 93   and name HG2%)
 ASSI { 1808}
   (( segid " 1SG" and resid 6    and name HG  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      2.700     0.900     0.900 peak  1808 spectrum    1 weight  0.10000E+01 volume  0.15046E-02 ppm1      1.340 ppm2      0.494 CV     1
 ASSI { 1809}
   (( segid " 1SG" and resid 24   and name HA  ))
   (( segid " 1SG" and resid 24   and name HB2 ))
      3.100     1.200     1.200 peak  1809 spectrum    1 weight  0.10000E+01 volume  0.15045E-02 ppm1      4.619 ppm2      2.415 CV     1
 ASSI { 1812}
   (( segid " 1SG" and resid 103  and name HB2 ))
   (( segid " 1SG" and resid 103  and name HA  ))
      3.100     1.200     1.200 peak  1812 spectrum    1 weight  0.10000E+01 volume  0.15002E-02 ppm1      2.506 ppm2      5.551 CV     1
 ASSI { 1815}
   (( segid " 1SG" and resid 105  and name HA  ))
   (( segid " 1SG" and resid 105  and name HB  ))
      2.900     1.000     1.000 peak  1815 spectrum    1 weight  0.10000E+01 volume  0.14985E-02 ppm1      4.515 ppm2      3.913 CV     1
 ASSI { 1823}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 104  and name HB2 ))
      3.100     1.200     1.200 peak  1823 spectrum    1 weight  0.10000E+01 volume  0.14924E-02 ppm1      0.619 ppm2      1.254 CV     1
 ASSI { 1831}
   (  segid " 1SG" and resid 49   and name HD2%)
   (( segid " 1SG" and resid 49   and name HB2 ))
      3.000     1.100     1.100 peak  1831 spectrum    1 weight  0.10000E+01 volume  0.14830E-02 ppm1      1.030 ppm2      1.580 CV     1
 ASSI { 1841}
   (( segid " 1SG" and resid 52   and name HB2 ))
   (( segid " 1SG" and resid 52   and name HA  ))
      2.900     1.000     1.000 peak  1841 spectrum    1 weight  0.10000E+01 volume  0.14717E-02 ppm1      1.738 ppm2      4.629 CV     1
 ASSI { 1843}
   (( segid " 1SG" and resid 58   and name HA  ))
   (( segid " 1SG" and resid 58   and name HG2 ))
      3.300     1.400     1.400 peak  1843 spectrum    1 weight  0.10000E+01 volume  0.14708E-02 ppm1      4.621 ppm2      1.817 CV     1
 ASSI { 1852}
   (( segid " 1SG" and resid 69   and name HA  ))
   (( segid " 1SG" and resid 29   and name HA  ))
      2.800     0.900     0.900 peak  1852 spectrum    1 weight  0.10000E+01 volume  0.14555E-02 ppm1      4.592 ppm2      4.392 CV     1
 ASSI { 1853}
   (( segid " 1SG" and resid 57   and name HG  ))
   (( segid " 1SG" and resid 49   and name HB2 ))
      3.400     1.500     1.500 peak  1853 spectrum    1 weight  0.10000E+01 volume  0.14549E-02 ppm1      0.753 ppm2      1.558 CV     1
 ASSI { 1858}
   (( segid " 1SG" and resid 96   and name HB2 ))
   (( segid " 1SG" and resid 4    and name HG12))
      3.300     3.300     2.700 peak  1858 spectrum    1 weight  0.10000E+01 volume  0.14488E-02 ppm1      1.612 ppm2      1.245 CV     1
 ASSI { 1870}
   (( segid " 1SG" and resid 15   and name HA  ))
   (( segid " 1SG" and resid 15   and name HG1 ))
      2.900     1.100     1.100 peak  1870 spectrum    1 weight  0.10000E+01 volume  0.14354E-02 ppm1      5.504 ppm2      2.280 CV     1
 OR { 1870}
   (( segid " 1SG" and resid 15   and name HA  ))
   (( segid " 1SG" and resid 15   and name HG2 ))
 ASSI { 1875}
   (( segid " 1SG" and resid 22   and name HB  ))
   (( segid " 1SG" and resid 104  and name HB2 ))
      3.200     1.200     1.200 peak  1875 spectrum    1 weight  0.10000E+01 volume  0.14327E-02 ppm1      1.541 ppm2      1.250 CV     1
 ASSI { 1880}
   (( segid " 1SG" and resid 56   and name HA  ))
   (( segid " 1SG" and resid 56   and name HB2 ))
      2.900     1.100     1.100 peak  1880 spectrum    1 weight  0.10000E+01 volume  0.14288E-02 ppm1      4.971 ppm2      3.108 CV     1
 ASSI { 1884}
   (( segid " 1SG" and resid 52   and name HG1 ))
   (( segid " 1SG" and resid 53   and name HB  ))
      3.500     3.500     2.500 peak  1884 spectrum    1 weight  0.10000E+01 volume  0.14273E-02 ppm1      1.340 ppm2      2.157 CV     1
 OR { 1884}
   (( segid " 1SG" and resid 52   and name HG2 ))
   (( segid " 1SG" and resid 53   and name HB  ))
 ASSI { 1886}
   (( segid " 1SG" and resid 18   and name HA  ))
   (  segid " 1SG" and resid 79   and name HB% )
      2.900     1.100     1.100 peak  1886 spectrum    1 weight  0.10000E+01 volume  0.14267E-02 ppm1      3.516 ppm2      1.196 CV     1
 ASSI { 1887}
   (( segid " 1SG" and resid 4    and name HB  ))
   (( segid " 1SG" and resid 4    and name HA  ))
      2.900     1.000     1.000 peak  1887 spectrum    1 weight  0.10000E+01 volume  0.14266E-02 ppm1      2.054 ppm2      4.033 CV     1
 ASSI { 1888}
   (( segid " 1SG" and resid 37   and name HB2 ))
   (( segid " 1SG" and resid 37   and name HA  ))
      3.000     1.100     1.100 peak  1888 spectrum    1 weight  0.10000E+01 volume  0.14259E-02 ppm1      1.383 ppm2      4.501 CV     1
 ASSI { 1889}
   (( segid " 1SG" and resid 91   and name HA  ))
   (( segid " 1SG" and resid 91   and name HB  ))
      2.700     0.900     0.900 peak  1889 spectrum    1 weight  0.10000E+01 volume  0.14255E-02 ppm1      4.743 ppm2      1.134 CV     1
 ASSI { 1895}
   (( segid " 1SG" and resid 6    and name HG  ))
   (  segid " 1SG" and resid 6    and name HD1%)
      2.800     1.000     1.000 peak  1895 spectrum    1 weight  0.10000E+01 volume  0.14210E-02 ppm1      1.341 ppm2      0.677 CV     1
 ASSI { 1898}
   (( segid " 1SG" and resid 49   and name HA  ))
   (( segid " 1SG" and resid 52   and name HB2 ))
      2.800     1.000     1.000 peak  1898 spectrum    1 weight  0.10000E+01 volume  0.14204E-02 ppm1      3.862 ppm2      1.730 CV     1
 ASSI { 1902}
   (( segid " 1SG" and resid 27   and name HA  ))
   (( segid " 1SG" and resid 71   and name HA  ))
      2.500     0.800     0.800 peak  1902 spectrum    1 weight  0.10000E+01 volume  0.14155E-02 ppm1      5.835 ppm2      5.076 CV     1
 ASSI { 1907}
   (( segid " 1SG" and resid 4    and name HB  ))
   (( segid " 1SG" and resid 4    and name HG12))
      3.000     1.100     1.100 peak  1907 spectrum    1 weight  0.10000E+01 volume  0.14054E-02 ppm1      2.046 ppm2      1.247 CV     1
 ASSI { 1908}
   (( segid " 1SG" and resid 45   and name HG2 ))
   (( segid " 1SG" and resid 45   and name HD1 ))
      2.900     1.100     1.100 peak  1908 spectrum    1 weight  0.10000E+01 volume  0.14050E-02 ppm1      0.596 ppm2      1.238 CV     1
 OR { 1908}
   (( segid " 1SG" and resid 45   and name HG2 ))
   (( segid " 1SG" and resid 45   and name HD2 ))
 ASSI { 1924}
   (( segid " 1SG" and resid 43   and name HB2 ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      3.300     3.300     2.700 peak  1924 spectrum    1 weight  0.10000E+01 volume  0.13832E-02 ppm1      1.237 ppm2      1.469 CV     1
 ASSI { 1936}
   (  segid " 1SG" and resid 39   and name HG2%)
   (  segid " 1SG" and resid 28   and name HG2%)
      2.800     1.000     1.000 peak  1936 spectrum    1 weight  0.10000E+01 volume  0.13772E-02 ppm1     -0.444 ppm2      0.644 CV     1
 ASSI { 1941}
   (  segid " 1SG" and resid 26   and name HB% )
   (  segid " 1SG" and resid 28   and name HG2%)
      2.900     1.100     1.100 peak  1941 spectrum    1 weight  0.10000E+01 volume  0.13707E-02 ppm1      1.468 ppm2      0.658 CV     1
 ASSI { 1950}
   (( segid " 1SG" and resid 24   and name HA  ))
   (( segid " 1SG" and resid 12   and name HG2 ))
      2.500     2.500     3.500 peak  1950 spectrum    1 weight  0.10000E+01 volume  0.13647E-02 ppm1      4.620 ppm2      2.453 CV     1
 OR { 1950}
   (( segid " 1SG" and resid 24   and name HA  ))
   (( segid " 1SG" and resid 12   and name HG1 ))
 ASSI { 1953}
   (  segid " 1SG" and resid 8    and name HG2%)
   (( segid " 1SG" and resid 27   and name HD2 ))
      3.000     1.200     1.200 peak  1953 spectrum    1 weight  0.10000E+01 volume  0.13630E-02 ppm1      0.980 ppm2      3.114 CV     1
 OR { 1953}
   (  segid " 1SG" and resid 8    and name HG2%)
   (( segid " 1SG" and resid 27   and name HD1 ))
 OR { 1953}
   (  segid " 1SG" and resid 8    and name HG1%)
   (( segid " 1SG" and resid 27   and name HD2 ))
 OR { 1953}
   (  segid " 1SG" and resid 8    and name HG1%)
   (( segid " 1SG" and resid 27   and name HD1 ))
 ASSI { 1956}
   (( segid " 1SG" and resid 83   and name HA  ))
   (( segid " 1SG" and resid 83   and name HB2 ))
      2.900     1.000     1.000 peak  1956 spectrum    1 weight  0.10000E+01 volume  0.13615E-02 ppm1      4.609 ppm2      3.190 CV     1
 ASSI { 1958}
   (( segid " 1SG" and resid 40   and name HA  ))
   (( segid " 1SG" and resid 40   and name HG2 ))
      3.300     1.400     1.400 peak  1958 spectrum    1 weight  0.10000E+01 volume  0.13575E-02 ppm1      4.545 ppm2      1.245 CV     1
 OR { 1958}
   (( segid " 1SG" and resid 40   and name HA  ))
   (( segid " 1SG" and resid 40   and name HG1 ))
 ASSI { 1963}
   (  segid " 1SG" and resid 77   and name HG2%)
   (( segid " 1SG" and resid 76   and name HA  ))
      3.300     1.400     1.400 peak  1963 spectrum    1 weight  0.10000E+01 volume  0.13551E-02 ppm1      1.045 ppm2      4.982 CV     1
 ASSI { 1965}
   (( segid " 1SG" and resid 83   and name HA  ))
   (( segid " 1SG" and resid 44   and name HA2 ))
      3.300     3.300     2.700 peak  1965 spectrum    1 weight  0.10000E+01 volume  0.13536E-02 ppm1      4.568 ppm2      3.808 CV     1
 ASSI { 1969}
   (( segid " 1SG" and resid 12   and name HB2 ))
   (  segid " 1SG" and resid 22   and name HD1%)
      2.900     2.900     3.100 peak  1969 spectrum    1 weight  0.10000E+01 volume  0.13492E-02 ppm1      1.944 ppm2      0.544 CV     1
 ASSI { 1970}
   (  segid " 1SG" and resid 91   and name HG2%)
   (( segid " 1SG" and resid 38   and name HA  ))
      3.300     1.400     1.400 peak  1970 spectrum    1 weight  0.10000E+01 volume  0.13475E-02 ppm1      0.115 ppm2      3.907 CV     1
 ASSI { 1987}
   (( segid " 1SG" and resid 36   and name HD2 ))
   (( segid " 1SG" and resid 35   and name HB2 ))
      2.800     1.000     1.000 peak  1987 spectrum    1 weight  0.10000E+01 volume  0.13305E-02 ppm1      3.509 ppm2      1.780 CV     1
 OR { 1987}
   (( segid " 1SG" and resid 36   and name HD2 ))
   (( segid " 1SG" and resid 35   and name HB1 ))
 ASSI { 1991}
   (  segid " 1SG" and resid 18   and name HG1%)
   (( segid " 1SG" and resid 81   and name HD2 ))
      3.600     1.600     1.600 peak  1991 spectrum    1 weight  0.10000E+01 volume  0.13263E-02 ppm1      1.013 ppm2      3.582 CV     1
 ASSI { 1993}
   (( segid " 1SG" and resid 71   and name HA  ))
   (( segid " 1SG" and resid 71   and name HB2 ))
      2.600     0.800     0.800 peak  1993 spectrum    1 weight  0.10000E+01 volume  0.13245E-02 ppm1      5.070 ppm2      1.269 CV     1
 ASSI { 1994}
   (( segid " 1SG" and resid 103  and name HA  ))
   (( segid " 1SG" and resid 86   and name HA2 ))
      2.700     0.900     0.900 peak  1994 spectrum    1 weight  0.10000E+01 volume  0.13240E-02 ppm1      5.554 ppm2      4.675 CV     1
 ASSI { 1996}
   (( segid " 1SG" and resid 81   and name HD2 ))
   (( segid " 1SG" and resid 80   and name HG2 ))
      2.800     1.000     1.000 peak  1996 spectrum    1 weight  0.10000E+01 volume  0.13229E-02 ppm1      3.576 ppm2      2.181 CV     1
 OR { 1996}
   (( segid " 1SG" and resid 81   and name HD2 ))
   (( segid " 1SG" and resid 80   and name HG1 ))
 ASSI { 2003}
   (( segid " 1SG" and resid 57   and name HG  ))
   (  segid " 1SG" and resid 49   and name HD1%)
      3.200     1.300     1.300 peak  2003 spectrum    1 weight  0.10000E+01 volume  0.13138E-02 ppm1      0.757 ppm2      1.744 CV     1
 ASSI { 2006}
   (( segid " 1SG" and resid 22   and name HA  ))
   (  segid " 1SG" and resid 22   and name HD1%)
      2.800     1.000     1.000 peak  2006 spectrum    1 weight  0.10000E+01 volume  0.13123E-02 ppm1      4.352 ppm2      0.547 CV     1
 ASSI { 2016}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 22   and name HA  ))
      3.200     1.300     1.300 peak  2016 spectrum    1 weight  0.10000E+01 volume  0.13062E-02 ppm1      0.604 ppm2      4.356 CV     1
 ASSI { 2017}
   (( segid " 1SG" and resid 90   and name HA  ))
   (( segid " 1SG" and resid 99   and name HA  ))
      2.800     1.000     1.000 peak  2017 spectrum    1 weight  0.10000E+01 volume  0.13058E-02 ppm1      4.768 ppm2      5.709 CV     1
 ASSI { 2018}
   (( segid " 1SG" and resid 68   and name HE1 ))
   (( segid " 1SG" and resid 37   and name HG2 ))
      2.500     2.500     3.500 peak  2018 spectrum    1 weight  0.10000E+01 volume  0.13046E-02 ppm1      3.019 ppm2      1.361 CV     1
 OR { 2018}
   (( segid " 1SG" and resid 68   and name HE2 ))
   (( segid " 1SG" and resid 37   and name HG2 ))
 OR { 2018}
   (( segid " 1SG" and resid 68   and name HE1 ))
   (( segid " 1SG" and resid 37   and name HB2 ))
 OR { 2018}
   (( segid " 1SG" and resid 68   and name HE2 ))
   (( segid " 1SG" and resid 37   and name HB2 ))
 ASSI { 2024}
   (  segid " 1SG" and resid 49   and name HD2%)
   (  segid " 1SG" and resid 87   and name HD% )
      2.900     1.000     1.000 peak  2024 spectrum    1 weight  0.10000E+01 volume  0.12984E-02 ppm1      1.029 ppm2      6.809 CV     1
 ASSI { 2025}
   (( segid " 1SG" and resid 4    and name HA  ))
   (( segid " 1SG" and resid 4    and name HG12))
      2.900     1.000     1.000 peak  2025 spectrum    1 weight  0.10000E+01 volume  0.12978E-02 ppm1      4.024 ppm2      1.245 CV     1
 ASSI { 2029}
   (( segid " 1SG" and resid 56   and name HA  ))
   (  segid " 1SG" and resid 77   and name HG2%)
      3.200     1.300     1.300 peak  2029 spectrum    1 weight  0.10000E+01 volume  0.12969E-02 ppm1      4.981 ppm2      1.049 CV     1
 ASSI { 2045}
   (( segid " 1SG" and resid 108  and name HG1 ))
   (  segid " 1SG" and resid 18   and name HG2%)
      3.100     1.200     1.200 peak  2045 spectrum    1 weight  0.10000E+01 volume  0.12839E-02 ppm1      2.191 ppm2      0.964 CV     1
 OR { 2045}
   (( segid " 1SG" and resid 108  and name HG2 ))
   (  segid " 1SG" and resid 18   and name HG2%)
 OR { 2045}
   (( segid " 1SG" and resid 108  and name HG1 ))
   (  segid " 1SG" and resid 18   and name HG1%)
 ASSI { 2047}
   (( segid " 1SG" and resid 40   and name HB2 ))
   (( segid " 1SG" and resid 40   and name HD2 ))
      2.800     1.000     1.000 peak  2047 spectrum    1 weight  0.10000E+01 volume  0.12824E-02 ppm1      1.370 ppm2      1.689 CV     1
 OR { 2047}
   (( segid " 1SG" and resid 40   and name HB2 ))
   (( segid " 1SG" and resid 40   and name HD1 ))
 ASSI { 2053}
   (( segid " 1SG" and resid 27   and name HD1 ))
   (  segid " 1SG" and resid 8    and name HG2%)
      3.100     1.200     1.200 peak  2053 spectrum    1 weight  0.10000E+01 volume  0.12781E-02 ppm1      3.129 ppm2      0.966 CV     1
 OR { 2053}
   (( segid " 1SG" and resid 27   and name HD2 ))
   (  segid " 1SG" and resid 8    and name HG1%)
 OR { 2053}
   (( segid " 1SG" and resid 27   and name HD1 ))
   (  segid " 1SG" and resid 8    and name HG1%)
 ASSI { 2066}
   (( segid " 1SG" and resid 10   and name HB2 ))
   (  segid " 1SG" and resid 26   and name HB% )
      3.400     3.400     2.600 peak  2066 spectrum    1 weight  0.10000E+01 volume  0.12645E-02 ppm1      1.238 ppm2      1.481 CV     1
 ASSI { 2073}
   (  segid " 1SG" and resid 76   and name HD1%)
   (  segid " 1SG" and resid 24   and name HE% )
      2.800     1.000     1.000 peak  2073 spectrum    1 weight  0.10000E+01 volume  0.12582E-02 ppm1      0.676 ppm2      7.166 CV     1
 ASSI { 2078}
   (  segid " 1SG" and resid 69   and name HG1%)
   (( segid " 1SG" and resid 27   and name HA  ))
      3.300     1.400     1.400 peak  2078 spectrum    1 weight  0.10000E+01 volume  0.12544E-02 ppm1      0.856 ppm2      5.839 CV     1
 ASSI { 2079}
   (  segid " 1SG" and resid 77   and name HG2%)
   (( segid " 1SG" and resid 21   and name HB2 ))
      3.000     1.100     1.100 peak  2079 spectrum    1 weight  0.10000E+01 volume  0.12535E-02 ppm1      1.049 ppm2      3.757 CV     1
 ASSI { 2082}
   (( segid " 1SG" and resid 21   and name HA  ))
   (( segid " 1SG" and resid 20   and name HN  ))
      3.100     3.100     2.900 peak  2082 spectrum    1 weight  0.10000E+01 volume  0.12521E-02 ppm1      5.517 ppm2      8.843 CV     1
 ASSI { 2087}
   (( segid " 1SG" and resid 58   and name HG2 ))
   (( segid " 1SG" and resid 75   and name HB2 ))
      3.100     1.200     1.200 peak  2087 spectrum    1 weight  0.10000E+01 volume  0.12466E-02 ppm1      1.816 ppm2      2.887 CV     1
 OR { 2087}
   (( segid " 1SG" and resid 58   and name HG2 ))
   (( segid " 1SG" and resid 75   and name HB1 ))
 ASSI { 2091}
   (( segid " 1SG" and resid 38   and name HA  ))
   (( segid " 1SG" and resid 38   and name HB  ))
      2.900     1.100     1.100 peak  2091 spectrum    1 weight  0.10000E+01 volume  0.12446E-02 ppm1      3.896 ppm2      1.900 CV     1
 ASSI { 2110}
   (( segid " 1SG" and resid 37   and name HD2 ))
   (( segid " 1SG" and resid 37   and name HG2 ))
      2.800     0.900     0.900 peak  2110 spectrum    1 weight  0.10000E+01 volume  0.12323E-02 ppm1      2.368 ppm2      1.373 CV     1
 OR { 2110}
   (( segid " 1SG" and resid 37   and name HD2 ))
   (( segid " 1SG" and resid 37   and name HB2 ))
 ASSI { 2121}
   (( segid " 1SG" and resid 76   and name HA  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      3.100     1.200     1.200 peak  2121 spectrum    1 weight  0.10000E+01 volume  0.12253E-02 ppm1      5.017 ppm2      1.434 CV     1
 ASSI { 2125}
   (( segid " 1SG" and resid 73   and name HB2 ))
   (  segid " 1SG" and resid 23   and name HG2%)
      3.100     1.200     1.200 peak  2125 spectrum    1 weight  0.10000E+01 volume  0.12222E-02 ppm1      1.540 ppm2      0.786 CV     1
 ASSI { 2158}
   (( segid " 1SG" and resid 22   and name HA  ))
   (( segid " 1SG" and resid 22   and name HG12))
      3.500     1.600     1.600 peak  2158 spectrum    1 weight  0.10000E+01 volume  0.12040E-02 ppm1      4.352 ppm2      0.101 CV     1
 ASSI { 2171}
   (( segid " 1SG" and resid 83   and name HA  ))
   (  segid " 1SG" and resid 83   and name HD% )
      2.800     1.000     1.000 peak  2171 spectrum    1 weight  0.10000E+01 volume  0.11959E-02 ppm1      4.623 ppm2      7.128 CV     1
 ASSI { 2173}
   (( segid " 1SG" and resid 48   and name HA  ))
   (( segid " 1SG" and resid 42   and name HA  ))
      2.900     1.100     1.100 peak  2173 spectrum    1 weight  0.10000E+01 volume  0.11933E-02 ppm1      4.223 ppm2      5.804 CV     1
 ASSI { 2179}
   (( segid " 1SG" and resid 102  and name HB2 ))
   (( segid " 1SG" and resid 100  and name HB2 ))
      3.600     3.600     2.400 peak  2179 spectrum    1 weight  0.10000E+01 volume  0.11908E-02 ppm1      2.746 ppm2      2.972 CV     1
 ASSI { 2183}
   (( segid " 1SG" and resid 77   and name HA  ))
   (( segid " 1SG" and resid 21   and name HB2 ))
      3.100     1.200     1.200 peak  2183 spectrum    1 weight  0.10000E+01 volume  0.11881E-02 ppm1      4.660 ppm2      3.760 CV     1
 ASSI { 2186}
   (( segid " 1SG" and resid 80   and name HG2 ))
   (( segid " 1SG" and resid 106  and name HB  ))
      3.400     3.400     2.600 peak  2186 spectrum    1 weight  0.10000E+01 volume  0.11866E-02 ppm1      2.159 ppm2      1.868 CV     1
 OR { 2186}
   (( segid " 1SG" and resid 80   and name HG1 ))
   (( segid " 1SG" and resid 106  and name HB  ))
 ASSI { 2192}
   (  segid " 1SG" and resid 76   and name HG2%)
   (  segid " 1SG" and resid 83   and name HD% )
      3.100     1.200     1.200 peak  2192 spectrum    1 weight  0.10000E+01 volume  0.11811E-02 ppm1      0.821 ppm2      7.134 CV     1
 ASSI { 2197}
   (( segid " 1SG" and resid 27   and name HD1 ))
   (( segid " 1SG" and resid 9    and name HB2 ))
      2.900     1.100     1.100 peak  2197 spectrum    1 weight  0.10000E+01 volume  0.11785E-02 ppm1      3.125 ppm2      1.911 CV     1
 OR { 2197}
   (( segid " 1SG" and resid 27   and name HD2 ))
   (( segid " 1SG" and resid 9    and name HB2 ))
 ASSI { 2202}
   (  segid " 1SG" and resid 39   and name HG1%)
   (  segid " 1SG" and resid 91   and name HG2%)
      3.500     1.600     1.600 peak  2202 spectrum    1 weight  0.10000E+01 volume  0.11764E-02 ppm1     -0.058 ppm2      0.160 CV     1
 ASSI { 2207}
   (( segid " 1SG" and resid 65   and name HA  ))
   (( segid " 1SG" and resid 68   and name HA  ))
      3.000     1.100     1.100 peak  2207 spectrum    1 weight  0.10000E+01 volume  0.11721E-02 ppm1      3.454 ppm2      3.592 CV     1
 ASSI { 2222}
   (( segid " 1SG" and resid 48   and name HA  ))
   (( segid " 1SG" and resid 48   and name HB2 ))
      3.000     1.100     1.100 peak  2222 spectrum    1 weight  0.10000E+01 volume  0.11607E-02 ppm1      4.212 ppm2      2.933 CV     1
 ASSI { 2227}
   (( segid " 1SG" and resid 104  and name HA  ))
   (( segid " 1SG" and resid 104  and name HG  ))
      3.000     1.100     1.100 peak  2227 spectrum    1 weight  0.10000E+01 volume  0.11570E-02 ppm1      5.435 ppm2      1.354 CV     1
 ASSI { 2232}
   (  segid " 1SG" and resid 22   and name HD1%)
   (( segid " 1SG" and resid 22   and name HA  ))
      2.900     1.100     1.100 peak  2232 spectrum    1 weight  0.10000E+01 volume  0.11534E-02 ppm1      0.551 ppm2      4.359 CV     1
 OR { 2232}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 22   and name HA  ))
 ASSI { 2236}
   (  segid " 1SG" and resid 16   and name HG1%)
   (( segid " 1SG" and resid 22   and name HG12))
      3.500     1.500     1.500 peak  2236 spectrum    1 weight  0.10000E+01 volume  0.11511E-02 ppm1      0.978 ppm2      0.115 CV     1
 ASSI { 2241}
   (( segid " 1SG" and resid 27   and name HD1 ))
   (( segid " 1SG" and resid 9    and name HG2 ))
      3.100     1.200     1.200 peak  2241 spectrum    1 weight  0.10000E+01 volume  0.11496E-02 ppm1      3.123 ppm2      2.513 CV     1
 OR { 2241}
   (( segid " 1SG" and resid 27   and name HD2 ))
   (( segid " 1SG" and resid 9    and name HG2 ))
 ASSI { 2243}
   (( segid " 1SG" and resid 28   and name HB  ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      2.800     1.000     1.000 peak  2243 spectrum    1 weight  0.10000E+01 volume  0.11486E-02 ppm1      1.975 ppm2      2.823 CV     1
 ASSI { 2255}
   (  segid " 1SG" and resid 77   and name HG2%)
   (( segid " 1SG" and resid 75   and name HB1 ))
      2.800     1.000     1.000 peak  2255 spectrum    1 weight  0.10000E+01 volume  0.11436E-02 ppm1      1.046 ppm2      2.909 CV     1
 ASSI { 2258}
   (( segid " 1SG" and resid 6    and name HB2 ))
   (  segid " 1SG" and resid 6    and name HD1%)
      2.900     1.000     1.000 peak  2258 spectrum    1 weight  0.10000E+01 volume  0.11422E-02 ppm1      0.963 ppm2      0.668 CV     1
 ASSI { 2267}
   (( segid " 1SG" and resid 49   and name HA  ))
   (( segid " 1SG" and resid 52   and name HG2 ))
      3.500     1.600     1.600 peak  2267 spectrum    1 weight  0.10000E+01 volume  0.11376E-02 ppm1      3.862 ppm2      1.350 CV     1
 OR { 2267}
   (( segid " 1SG" and resid 49   and name HA  ))
   (( segid " 1SG" and resid 52   and name HG1 ))
 ASSI { 2271}
   (( segid " 1SG" and resid 76   and name HB  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      3.600     3.600     2.400 peak  2271 spectrum    1 weight  0.10000E+01 volume  0.11347E-02 ppm1      1.936 ppm2      1.428 CV     1
 ASSI { 2279}
   (( segid " 1SG" and resid 88   and name HA  ))
   (( segid " 1SG" and resid 99   and name HB2 ))
      3.300     3.300     2.700 peak  2279 spectrum    1 weight  0.10000E+01 volume  0.11282E-02 ppm1      5.350 ppm2      2.743 CV     1
 ASSI { 2289}
   (  segid " 1SG" and resid 28   and name HG2%)
   (( segid " 1SG" and resid 37   and name HB2 ))
      3.400     1.400     1.400 peak  2289 spectrum    1 weight  0.10000E+01 volume  0.11222E-02 ppm1      0.647 ppm2      1.378 CV     1
 OR { 2289}
   (  segid " 1SG" and resid 28   and name HG2%)
   (( segid " 1SG" and resid 37   and name HG2 ))
 ASSI { 2293}
   (( segid " 1SG" and resid 31   and name HA  ))
   (( segid " 1SG" and resid 68   and name HG1 ))
      3.100     1.200     1.200 peak  2293 spectrum    1 weight  0.10000E+01 volume  0.11200E-02 ppm1      4.171 ppm2      1.264 CV     1
 OR { 2293}
   (( segid " 1SG" and resid 31   and name HA  ))
   (( segid " 1SG" and resid 68   and name HG2 ))
 ASSI { 2296}
   (  segid " 1SG" and resid 59   and name HD2%)
   (( segid " 1SG" and resid 41   and name HD1 ))
      3.100     1.200     1.200 peak  2296 spectrum    1 weight  0.10000E+01 volume  0.11175E-02 ppm1      0.713 ppm2      7.136 CV     1
 ASSI { 2297}
   (( segid " 1SG" and resid 33   and name HB2 ))
   (( segid " 1SG" and resid 93   and name HA  ))
      3.400     1.500     1.500 peak  2297 spectrum    1 weight  0.10000E+01 volume  0.11169E-02 ppm1      1.752 ppm2      4.754 CV     1
 ASSI { 2301}
   (( segid " 1SG" and resid 91   and name HB  ))
   (  segid " 1SG" and resid 39   and name HG2%)
      2.900     1.100     1.100 peak  2301 spectrum    1 weight  0.10000E+01 volume  0.11146E-02 ppm1      1.137 ppm2     -0.446 CV     1
 ASSI { 2305}
   (( segid " 1SG" and resid 6    and name HG  ))
   (( segid " 1SG" and resid 96   and name HB2 ))
      3.600     1.600     1.600 peak  2305 spectrum    1 weight  0.10000E+01 volume  0.11120E-02 ppm1      1.340 ppm2      1.586 CV     1
 ASSI { 2310}
   (( segid " 1SG" and resid 70   and name HA  ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      3.200     1.300     1.300 peak  2310 spectrum    1 weight  0.10000E+01 volume  0.11089E-02 ppm1      4.744 ppm2      2.830 CV     1
 ASSI { 2317}
   (( segid " 1SG" and resid 93   and name HB  ))
   (  segid " 1SG" and resid 33   and name HD1%)
      3.200     1.300     1.300 peak  2317 spectrum    1 weight  0.10000E+01 volume  0.11061E-02 ppm1      4.559 ppm2      0.871 CV     1
 ASSI { 2322}
   (( segid " 1SG" and resid 52   and name HD1 ))
   (  segid " 1SG" and resid 47   and name HG2%)
      3.400     1.500     1.500 peak  2322 spectrum    1 weight  0.10000E+01 volume  0.11039E-02 ppm1      1.614 ppm2      0.759 CV     1
 OR { 2322}
   (( segid " 1SG" and resid 52   and name HD2 ))
   (  segid " 1SG" and resid 47   and name HG2%)
 ASSI { 2331}
   (  segid " 1SG" and resid 106  and name HG1%)
   (( segid " 1SG" and resid 81   and name HA  ))
      2.800     1.000     1.000 peak  2331 spectrum    1 weight  0.10000E+01 volume  0.11000E-02 ppm1      0.693 ppm2      4.008 CV     1
 ASSI { 2335}
   (( segid " 1SG" and resid 39   and name HA  ))
   (( segid " 1SG" and resid 39   and name HB  ))
      3.000     1.100     1.100 peak  2335 spectrum    1 weight  0.10000E+01 volume  0.10958E-02 ppm1      4.804 ppm2      0.587 CV     1
 ASSI { 2340}
   (( segid " 1SG" and resid 98   and name HA  ))
   (( segid " 1SG" and resid 98   and name HB2 ))
      3.200     1.300     1.300 peak  2340 spectrum    1 weight  0.10000E+01 volume  0.10938E-02 ppm1      4.694 ppm2      2.296 CV     1
 ASSI { 2346}
   (( segid " 1SG" and resid 6    and name HB2 ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.000     1.100     1.100 peak  2346 spectrum    1 weight  0.10000E+01 volume  0.10901E-02 ppm1      0.963 ppm2      0.486 CV     1
 ASSI { 2362}
   (( segid " 1SG" and resid 7    and name HA  ))
   (( segid " 1SG" and resid 7    and name HB2 ))
      3.000     1.100     1.100 peak  2362 spectrum    1 weight  0.10000E+01 volume  0.10838E-02 ppm1      4.637 ppm2      2.585 CV     1
 ASSI { 2363}
   (( segid " 1SG" and resid 36   and name HA  ))
   (( segid " 1SG" and resid 36   and name HG2 ))
      3.600     1.700     1.700 peak  2363 spectrum    1 weight  0.10000E+01 volume  0.10832E-02 ppm1      4.009 ppm2      1.986 CV     1
 ASSI { 2364}
   (( segid " 1SG" and resid 81   and name HD2 ))
   (( segid " 1SG" and resid 80   and name HB1 ))
      3.200     1.300     1.300 peak  2364 spectrum    1 weight  0.10000E+01 volume  0.10830E-02 ppm1      3.586 ppm2      1.952 CV     1
 OR { 2364}
   (( segid " 1SG" and resid 81   and name HD2 ))
   (( segid " 1SG" and resid 80   and name HB2 ))
 ASSI { 2366}
   (  segid " 1SG" and resid 59   and name HD1%)
   (( segid " 1SG" and resid 59   and name HA  ))
      3.700     1.700     1.700 peak  2366 spectrum    1 weight  0.10000E+01 volume  0.10819E-02 ppm1      0.860 ppm2      5.189 CV     1
 ASSI { 2373}
   (( segid " 1SG" and resid 98   and name HB2 ))
   (( segid " 1SG" and resid 6    and name HB2 ))
      3.200     1.300     1.300 peak  2373 spectrum    1 weight  0.10000E+01 volume  0.10744E-02 ppm1      2.279 ppm2      0.921 CV     1
 ASSI { 2378}
   (( segid " 1SG" and resid 104  and name HA  ))
   (( segid " 1SG" and resid 104  and name HB2 ))
      2.700     0.900     0.900 peak  2378 spectrum    1 weight  0.10000E+01 volume  0.10721E-02 ppm1      5.436 ppm2      1.226 CV     1
 ASSI { 2382}
   (  segid " 1SG" and resid 76   and name HD1%)
   (( segid " 1SG" and resid 76   and name HA  ))
      3.600     1.600     1.600 peak  2382 spectrum    1 weight  0.10000E+01 volume  0.10695E-02 ppm1      0.679 ppm2      5.010 CV     1
 ASSI { 2392}
   (( segid " 1SG" and resid 43   and name HA  ))
   (( segid " 1SG" and resid 43   and name HB2 ))
      2.700     0.900     0.900 peak  2392 spectrum    1 weight  0.10000E+01 volume  0.10645E-02 ppm1      4.138 ppm2      1.232 CV     1
 ASSI { 2397}
   (( segid " 1SG" and resid 6    and name HA  ))
   (  segid " 1SG" and resid 29   and name HB% )
      3.000     1.100     1.100 peak  2397 spectrum    1 weight  0.10000E+01 volume  0.10631E-02 ppm1      4.459 ppm2      1.524 CV     1
 ASSI { 2402}
   (( segid " 1SG" and resid 101  and name HA  ))
   (( segid " 1SG" and resid 101  and name HB2 ))
      3.000     1.200     1.200 peak  2402 spectrum    1 weight  0.10000E+01 volume  0.10584E-02 ppm1      5.518 ppm2      2.697 CV     1
 ASSI { 2404}
   (  segid " 1SG" and resid 106  and name HG1%)
   (( segid " 1SG" and resid 83   and name HB2 ))
      3.100     1.200     1.200 peak  2404 spectrum    1 weight  0.10000E+01 volume  0.10578E-02 ppm1      0.689 ppm2      3.185 CV     1
 ASSI { 2405}
   (  segid " 1SG" and resid 26   and name HB% )
   (( segid " 1SG" and resid 72   and name HB2 ))
      3.200     1.200     1.200 peak  2405 spectrum    1 weight  0.10000E+01 volume  0.10572E-02 ppm1      1.468 ppm2      2.900 CV     1
 ASSI { 2415}
   (( segid " 1SG" and resid 43   and name HB2 ))
   (( segid " 1SG" and resid 43   and name HD1 ))
      2.800     1.000     1.000 peak  2415 spectrum    1 weight  0.10000E+01 volume  0.10492E-02 ppm1      1.235 ppm2      1.303 CV     1
 OR { 2415}
   (( segid " 1SG" and resid 43   and name HB2 ))
   (( segid " 1SG" and resid 43   and name HD2 ))
 ASSI { 2419}
   (( segid " 1SG" and resid 68   and name HA  ))
   (( segid " 1SG" and resid 68   and name HD1 ))
      3.400     1.400     1.400 peak  2419 spectrum    1 weight  0.10000E+01 volume  0.10480E-02 ppm1      3.611 ppm2      1.688 CV     1
 OR { 2419}
   (( segid " 1SG" and resid 68   and name HA  ))
   (( segid " 1SG" and resid 68   and name HD2 ))
 ASSI { 2422}
   (( segid " 1SG" and resid 77   and name HB  ))
   (( segid " 1SG" and resid 20   and name HA1 ))
      3.700     3.700     2.300 peak  2422 spectrum    1 weight  0.10000E+01 volume  0.10462E-02 ppm1      4.020 ppm2      3.721 CV     1
 ASSI { 2436}
   (( segid " 1SG" and resid 90   and name HA  ))
   (( segid " 1SG" and resid 90   and name HB2 ))
      3.100     1.200     1.200 peak  2436 spectrum    1 weight  0.10000E+01 volume  0.10372E-02 ppm1      4.768 ppm2      2.030 CV     1
 ASSI { 2438}
   (( segid " 1SG" and resid 41   and name HB2 ))
   (  segid " 1SG" and resid 49   and name HD2%)
      3.300     1.400     1.400 peak  2438 spectrum    1 weight  0.10000E+01 volume  0.10362E-02 ppm1      3.149 ppm2      1.032 CV     1
 ASSI { 2444}
   (( segid " 1SG" and resid 39   and name HA  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      3.400     1.400     1.400 peak  2444 spectrum    1 weight  0.10000E+01 volume  0.10306E-02 ppm1      4.810 ppm2      0.189 CV     1
 OR { 2444}
   (( segid " 1SG" and resid 39   and name HA  ))
   (  segid " 1SG" and resid 91   and name HG1%)
 ASSI { 2472}
   (( segid " 1SG" and resid 41   and name HA  ))
   (( segid " 1SG" and resid 41   and name HB2 ))
      3.100     1.200     1.200 peak  2472 spectrum    1 weight  0.10000E+01 volume  0.10145E-02 ppm1      5.478 ppm2      3.157 CV     1
 ASSI { 2478}
   (  segid " 1SG" and resid 49   and name HD2%)
   (( segid " 1SG" and resid 53   and name HN  ))
      3.400     1.500     1.500 peak  2478 spectrum    1 weight  0.10000E+01 volume  0.10077E-02 ppm1      1.042 ppm2      6.757 CV     1
 ASSI { 2484}
   (( segid " 1SG" and resid 103  and name HA  ))
   (( segid " 1SG" and resid 86   and name HA1 ))
      4.000     2.000     2.000 peak  2484 spectrum    1 weight  0.10000E+01 volume  0.10060E-02 ppm1      5.555 ppm2      3.498 CV     1
 ASSI { 2491}
   (( segid " 1SG" and resid 76   and name HA  ))
   (( segid " 1SG" and resid 76   and name HG12))
      2.800     1.000     1.000 peak  2491 spectrum    1 weight  0.10000E+01 volume  0.10023E-02 ppm1      5.014 ppm2      1.107 CV     1
 ASSI { 2498}
   (( segid " 1SG" and resid 69   and name HA  ))
   (( segid " 1SG" and resid 69   and name HB  ))
      3.000     1.200     1.200 peak  2498 spectrum    1 weight  0.10000E+01 volume  0.99617E-03 ppm1      4.599 ppm2      1.771 CV     1
 ASSI { 2500}
   (( segid " 1SG" and resid 3    and name HD1 ))
   (( segid " 1SG" and resid 3    and name HB1 ))
      3.500     1.600     1.600 peak  2500 spectrum    1 weight  0.10000E+01 volume  0.99344E-03 ppm1      3.865 ppm2      2.293 CV     1
 OR { 2500}
   (( segid " 1SG" and resid 3    and name HD2 ))
   (( segid " 1SG" and resid 3    and name HB2 ))
 OR { 2500}
   (( segid " 1SG" and resid 3    and name HD2 ))
   (( segid " 1SG" and resid 3    and name HB1 ))
 OR { 2500}
   (( segid " 1SG" and resid 3    and name HD1 ))
   (( segid " 1SG" and resid 3    and name HB2 ))
 ASSI { 2501}
   (( segid " 1SG" and resid 42   and name HA  ))
   (  segid " 1SG" and resid 49   and name HD1%)
      3.000     1.100     1.100 peak  2501 spectrum    1 weight  0.10000E+01 volume  0.99327E-03 ppm1      5.813 ppm2      1.783 CV     1
 ASSI { 2511}
   (( segid " 1SG" and resid 16   and name HB  ))
   (( segid " 1SG" and resid 22   and name HB  ))
      3.600     1.600     1.600 peak  2511 spectrum    1 weight  0.10000E+01 volume  0.98226E-03 ppm1      1.814 ppm2      1.533 CV     1
 ASSI { 2523}
   (  segid " 1SG" and resid 53   and name HG2%)
   (( segid " 1SG" and resid 43   and name HB2 ))
      3.600     1.600     1.600 peak  2523 spectrum    1 weight  0.10000E+01 volume  0.97786E-03 ppm1      1.111 ppm2      1.209 CV     1
 OR { 2523}
   (  segid " 1SG" and resid 53   and name HG1%)
   (( segid " 1SG" and resid 43   and name HB2 ))
 ASSI { 2528}
   (( segid " 1SG" and resid 6    and name HA  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.600     1.700     1.700 peak  2528 spectrum    1 weight  0.10000E+01 volume  0.97496E-03 ppm1      4.452 ppm2      0.493 CV     1
 ASSI { 2549}
   (  segid " 1SG" and resid 39   and name HG2%)
   (( segid " 1SG" and resid 37   and name HB2 ))
      2.900     1.000     1.000 peak  2549 spectrum    1 weight  0.10000E+01 volume  0.96198E-03 ppm1     -0.453 ppm2      1.391 CV     1
 ASSI { 2550}
   (( segid " 1SG" and resid 85   and name HA2 ))
   (( segid " 1SG" and resid 44   and name HA2 ))
      3.100     1.200     1.200 peak  2550 spectrum    1 weight  0.10000E+01 volume  0.96187E-03 ppm1      4.537 ppm2      3.813 CV     1
 ASSI { 2580}
   (  segid " 1SG" and resid 59   and name HD1%)
   (( segid " 1SG" and resid 41   and name HD1 ))
      3.000     1.100     1.100 peak  2580 spectrum    1 weight  0.10000E+01 volume  0.94020E-03 ppm1      0.866 ppm2      7.141 CV     1
 ASSI { 2591}
   (( segid " 1SG" and resid 43   and name HA  ))
   (( segid " 1SG" and resid 43   and name HG2 ))
      3.300     1.400     1.400 peak  2591 spectrum    1 weight  0.10000E+01 volume  0.93267E-03 ppm1      4.134 ppm2      0.081 CV     1
 ASSI { 2595}
   (( segid " 1SG" and resid 108  and name HA  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.300     1.400     1.400 peak  2595 spectrum    1 weight  0.10000E+01 volume  0.93122E-03 ppm1      4.150 ppm2      0.398 CV     1
 ASSI { 2607}
   (  segid " 1SG" and resid 104  and name HD2%)
   (( segid " 1SG" and resid 104  and name HA  ))
      3.800     1.800     1.800 peak  2607 spectrum    1 weight  0.10000E+01 volume  0.92206E-03 ppm1      0.833 ppm2      5.446 CV     1
 ASSI {   29}
   (  segid " 1SG" and resid 97   and name HD% )
   (  segid " 1SG" and resid 97   and name HE% )
      2.100     0.500     0.500 peak    29 spectrum    1 weight  0.10000E+01 volume  0.75028E-02 ppm1      7.085 ppm2      7.264 CV     1
 ASSI {   35}
   (  segid " 1SG" and resid 42   and name HE% )
   (( segid " 1SG" and resid 42   and name HZ  ))
      2.200     0.600     0.600 peak    35 spectrum    1 weight  0.10000E+01 volume  0.64634E-02 ppm1      7.079 ppm2      7.178 CV     1
 ASSI {   46}
   (  segid " 1SG" and resid 70   and name HD% )
   (( segid " 1SG" and resid 70   and name HB2 ))
      2.100     0.500     0.500 peak    46 spectrum    1 weight  0.10000E+01 volume  0.68174E-02 ppm1      7.029 ppm2      2.797 CV     1
 ASSI {   51}
   (  segid " 1SG" and resid 87   and name HD% )
   (  segid " 1SG" and resid 76   and name HD1%)
      2.100     2.100     3.900 peak    51 spectrum    1 weight  0.10000E+01 volume  0.68174E-02 ppm1      6.766 ppm2      0.633 CV     1
 ASSI {   53}
   (  segid " 1SG" and resid 42   and name HD% )
   (  segid " 1SG" and resid 42   and name HE% )
      2.400     0.700     0.700 peak    53 spectrum    1 weight  0.10000E+01 volume  0.33484E-02 ppm1      6.664 ppm2      7.098 CV     1
 ASSI {   62}
   (  segid " 1SG" and resid 87   and name HE% )
   (  segid " 1SG" and resid 104  and name HD1%)
      2.500     2.500     3.500 peak    62 spectrum    1 weight  0.10000E+01 volume  0.68174E-02 ppm1      6.552 ppm2      0.945 CV     1
 ASSI {   63}
   (  segid " 1SG" and resid 87   and name HE% )
   (( segid " 1SG" and resid 57   and name HG  ))
      2.000     2.000     4.000 peak    63 spectrum    1 weight  0.10000E+01 volume  0.68174E-02 ppm1      6.553 ppm2      0.751 CV     1
 ASSI {   77}
   (  segid " 1SG" and resid 63   and name HE% )
   (  segid " 1SG" and resid 63   and name HD% )
      2.600     0.900     0.900 peak    77 spectrum    1 weight  0.10000E+01 volume  0.19009E-02 ppm1      6.071 ppm2      5.874 CV     1
 ASSI {   85}
   (  segid " 1SG" and resid 42   and name HE% )
   (( segid " 1SG" and resid 46   and name HD1 ))
      3.200     3.200     2.800 peak    85 spectrum    1 weight  0.10000E+01 volume  0.16399E-02 ppm1      7.117 ppm2      7.129 CV     1
 ASSI {   87}
   (( segid " 1SG" and resid 46   and name HH2 ))
   (( segid " 1SG" and resid 46   and name HZ2 ))
      2.800     1.000     1.000 peak    87 spectrum    1 weight  0.10000E+01 volume  0.16059E-02 ppm1      7.111 ppm2      7.374 CV     1
 ASSI {   97}
   (  segid " 1SG" and resid 70   and name HE% )
   (  segid " 1SG" and resid 70   and name HD% )
      2.800     0.900     0.900 peak    97 spectrum    1 weight  0.10000E+01 volume  0.13590E-02 ppm1      6.595 ppm2      7.034 CV     1
 ASSI {  104}
   (( segid " 1SG" and resid 46   and name HD1 ))
   (( segid " 1SG" and resid 46   and name HB2 ))
      2.000     2.000     4.000 peak   104 spectrum    1 weight  0.10000E+01 volume  0.68174E-02 ppm1      7.109 ppm2      3.051 CV     1
 ASSI {  109}
   (  segid " 1SG" and resid 87   and name HD% )
   (  segid " 1SG" and resid 87   and name HE% )
      2.600     0.900     0.900 peak   109 spectrum    1 weight  0.10000E+01 volume  0.12160E-02 ppm1      6.767 ppm2      6.573 CV     1
 ASSI {  120}
   (  segid " 1SG" and resid 102  and name HD% )
   (  segid " 1SG" and resid 102  and name HE% )
      2.100     0.500     0.500 peak   120 spectrum    1 weight  0.10000E+01 volume  0.68174E-02 ppm1      6.778 ppm2      7.092 CV     1
 ASSI {  125}
   (( segid " 1SG" and resid 56   and name HE1 ))
   (( segid " 1SG" and resid 57   and name HG  ))
      3.100     1.200     1.200 peak   125 spectrum    1 weight  0.10000E+01 volume  0.10302E-02 ppm1      7.630 ppm2      0.738 CV     1
 ASSI {  168}
   (  segid " 1SG" and resid 83   and name HD% )
   (( segid " 1SG" and resid 80   and name HN  ))
      2.100     0.500     0.500 peak   168 spectrum    1 weight  0.10000E+01 volume  0.68174E-02 ppm1      7.090 ppm2      5.565 CV     1
 ASSI {  180}
   (( segid " 1SG" and resid 75   and name HE1 ))
   (( segid " 1SG" and resid 75   and name HB1 ))
      2.200     2.200     3.800 peak   180 spectrum    1 weight  0.10000E+01 volume  0.66998E-02 ppm1      8.255 ppm2      2.876 CV     1
 OR {  180}
   (( segid " 1SG" and resid 75   and name HE1 ))
   (( segid " 1SG" and resid 75   and name HB2 ))
 ASSI {  185}
   (  segid " 1SG" and resid 70   and name HE% )
   (( segid " 1SG" and resid 28   and name HB  ))
      1.800     1.800     4.200 peak   185 spectrum    1 weight  0.10000E+01 volume  0.66998E-02 ppm1      6.589 ppm2      1.945 CV     1
 ASSI {  186}
   (  segid " 1SG" and resid 83   and name HD% )
   (  segid " 1SG" and resid 47   and name HG2%)
      2.200     2.200     3.800 peak   186 spectrum    1 weight  0.10000E+01 volume  0.66998E-02 ppm1      7.088 ppm2      0.769 CV     1
 ASSI {  187}
   (  segid " 1SG" and resid 24   and name HD% )
   (  segid " 1SG" and resid 24   and name HE% )
      2.100     0.500     0.500 peak   187 spectrum    1 weight  0.10000E+01 volume  0.66998E-02 ppm1      6.951 ppm2      7.189 CV     1
 ASSI {  190}
   (  segid " 1SG" and resid 83   and name HD% )
   (  segid " 1SG" and resid 83   and name HE% )
      2.100     0.500     0.500 peak   190 spectrum    1 weight  0.10000E+01 volume  0.67270E-02 ppm1      7.090 ppm2      7.269 CV     1
 ASSI {  192}
   (  segid " 1SG" and resid 63   and name HE% )
   (( segid " 1SG" and resid 65   and name HG1 ))
      2.100     0.600     0.600 peak   192 spectrum    1 weight  0.10000E+01 volume  0.67270E-02 ppm1      6.071 ppm2      1.670 CV     1
 OR {  192}
   (  segid " 1SG" and resid 63   and name HE% )
   (( segid " 1SG" and resid 65   and name HG2 ))
 ASSI {  195}
   (( segid " 1SG" and resid 41   and name HZ2 ))
   (( segid " 1SG" and resid 41   and name HH2 ))
      2.100     0.500     0.500 peak   195 spectrum    1 weight  0.10000E+01 volume  0.67270E-02 ppm1      7.080 ppm2      6.606 CV     1
 ASSI {    8}
   (( segid " 1SG" and resid 12   and name HE21))
   (( segid " 1SG" and resid 12   and name HE22))
      1.500     0.300     0.700 peak     8 spectrum    1 weight  0.10000E+01 volume  0.59500E-01 ppm1      7.451 ppm2      6.922 CV     1
 ASSI {   15}
   (( segid " 1SG" and resid 103  and name HD21))
   (( segid " 1SG" and resid 103  and name HD22))
      1.600     0.300     0.600 peak    15 spectrum    1 weight  0.10000E+01 volume  0.31602E-01 ppm1      7.722 ppm2      6.746 CV     1
 ASSI {   22}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 58   and name HE22))
      1.600     0.300     0.600 peak    22 spectrum    1 weight  0.10000E+01 volume  0.24902E-01 ppm1      7.438 ppm2      6.684 CV     1
 ASSI {   41}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 107  and name HA  ))
      2.000     0.500     0.500 peak    41 spectrum    1 weight  0.10000E+01 volume  0.17988E-01 ppm1      8.564 ppm2      4.843 CV     1
 ASSI {   45}
   (( segid " 1SG" and resid 80   and name HE22))
   (( segid " 1SG" and resid 80   and name HE21))
      1.800     0.400     0.400 peak    45 spectrum    1 weight  0.10000E+01 volume  0.17353E-01 ppm1      6.645 ppm2      6.985 CV     1
 ASSI {   51}
   (( segid " 1SG" and resid 66   and name HN  ))
   (  segid " 1SG" and resid 66   and name HB% )
      2.200     0.600     0.600 peak    51 spectrum    1 weight  0.10000E+01 volume  0.16085E-01 ppm1      8.106 ppm2      1.408 CV     1
 ASSI {   60}
   (( segid " 1SG" and resid 61   and name HN  ))
   (( segid " 1SG" and resid 60   and name HA  ))
      2.100     0.600     0.600 peak    60 spectrum    1 weight  0.10000E+01 volume  0.13818E-01 ppm1      8.180 ppm2      5.068 CV     1
 ASSI {   62}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 38   and name HA  ))
      2.100     0.500     0.500 peak    62 spectrum    1 weight  0.10000E+01 volume  0.13641E-01 ppm1      7.892 ppm2      3.893 CV     1
 ASSI {   64}
   (( segid " 1SG" and resid 17   and name HN  ))
   (( segid " 1SG" and resid 16   and name HA  ))
      2.200     0.600     0.600 peak    64 spectrum    1 weight  0.10000E+01 volume  0.13335E-01 ppm1      7.900 ppm2      4.580 CV     1
 ASSI {   67}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (( segid " 1SG" and resid 41   and name HD1 ))
      2.200     0.600     0.600 peak    67 spectrum    1 weight  0.10000E+01 volume  0.12817E-01 ppm1     10.780 ppm2      7.129 CV     1
 ASSI {   72}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 12   and name HA  ))
      2.300     0.600     0.600 peak    72 spectrum    1 weight  0.10000E+01 volume  0.11713E-01 ppm1      8.312 ppm2      4.679 CV     1
 ASSI {   80}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 95   and name HA  ))
      2.200     0.600     0.600 peak    80 spectrum    1 weight  0.10000E+01 volume  0.11011E-01 ppm1      7.969 ppm2      4.735 CV     1
 ASSI {   81}
   (( segid " 1SG" and resid 53   and name HN  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      2.100     0.500     0.500 peak    81 spectrum    1 weight  0.10000E+01 volume  0.10841E-01 ppm1      6.764 ppm2      1.067 CV     1
 ASSI {   84}
   (( segid " 1SG" and resid 21   and name HN  ))
   (( segid " 1SG" and resid 20   and name HA1 ))
      2.000     0.500     0.500 peak    84 spectrum    1 weight  0.10000E+01 volume  0.10166E-01 ppm1      8.170 ppm2      3.727 CV     1
 ASSI {   85}
   (( segid " 1SG" and resid 79   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      2.200     0.600     0.600 peak    85 spectrum    1 weight  0.10000E+01 volume  0.10125E-01 ppm1      8.974 ppm2      1.174 CV     1
 ASSI {   88}
   (( segid " 1SG" and resid 18   and name HN  ))
   (( segid " 1SG" and resid 17   and name HA  ))
      2.200     0.600     0.600 peak    88 spectrum    1 weight  0.10000E+01 volume  0.99578E-02 ppm1      8.005 ppm2      4.728 CV     1
 ASSI {   95}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 53   and name HA  ))
      2.100     0.500     0.500 peak    95 spectrum    1 weight  0.10000E+01 volume  0.92536E-02 ppm1      9.019 ppm2      4.049 CV     1
 ASSI {  102}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 93   and name HA  ))
      2.600     2.600     3.400 peak   102 spectrum    1 weight  0.10000E+01 volume  0.90418E-02 ppm1      7.511 ppm2      4.762 CV     1
 ASSI {  111}
   (( segid " 1SG" and resid 93   and name HN  ))
   (( segid " 1SG" and resid 92   and name HA  ))
      2.300     0.600     0.600 peak   111 spectrum    1 weight  0.10000E+01 volume  0.85575E-02 ppm1      8.557 ppm2      5.243 CV     1
 ASSI {  112}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 58   and name HA  ))
      2.100     0.600     0.600 peak   112 spectrum    1 weight  0.10000E+01 volume  0.85034E-02 ppm1      8.381 ppm2      4.632 CV     1
 ASSI {  114}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 64   and name HA  ))
      2.200     0.600     0.600 peak   114 spectrum    1 weight  0.10000E+01 volume  0.82835E-02 ppm1      8.306 ppm2      4.576 CV     1
 ASSI {  116}
   (( segid " 1SG" and resid 48   and name HN  ))
   (( segid " 1SG" and resid 47   and name HA  ))
      2.300     0.600     0.600 peak   116 spectrum    1 weight  0.10000E+01 volume  0.81472E-02 ppm1      8.397 ppm2      4.057 CV     1
 ASSI {  117}
   (( segid " 1SG" and resid 21   and name HN  ))
   (( segid " 1SG" and resid 20   and name HA2 ))
      3.100     1.200     1.200 peak   117 spectrum    1 weight  0.10000E+01 volume  0.81460E-02 ppm1      8.169 ppm2      4.378 CV     1
 ASSI {  120}
   (( segid " 1SG" and resid 23   and name HN  ))
   (( segid " 1SG" and resid 22   and name HA  ))
      2.200     0.600     0.600 peak   120 spectrum    1 weight  0.10000E+01 volume  0.80812E-02 ppm1      7.914 ppm2      4.342 CV     1
 ASSI {  122}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 59   and name HA  ))
      2.100     0.600     0.600 peak   122 spectrum    1 weight  0.10000E+01 volume  0.80360E-02 ppm1      8.687 ppm2      5.184 CV     1
 ASSI {  123}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 21   and name HA  ))
      2.100     0.600     0.600 peak   123 spectrum    1 weight  0.10000E+01 volume  0.79757E-02 ppm1      8.888 ppm2      5.491 CV     1
 ASSI {  125}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 57   and name HA  ))
      2.000     0.500     0.500 peak   125 spectrum    1 weight  0.10000E+01 volume  0.79248E-02 ppm1      8.940 ppm2      5.399 CV     1
 ASSI {  126}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 61   and name HA  ))
      2.100     0.600     0.600 peak   126 spectrum    1 weight  0.10000E+01 volume  0.79047E-02 ppm1      8.849 ppm2      5.560 CV     1
 ASSI {  128}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 53   and name HB  ))
      2.300     0.700     0.700 peak   128 spectrum    1 weight  0.10000E+01 volume  0.78281E-02 ppm1      6.764 ppm2      2.128 CV     1
 ASSI {  130}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 4    and name HB  ))
      2.200     0.600     0.600 peak   130 spectrum    1 weight  0.10000E+01 volume  0.77275E-02 ppm1      8.264 ppm2      2.024 CV     1
 ASSI {  133}
   (( segid " 1SG" and resid 77   and name HN  ))
   (( segid " 1SG" and resid 76   and name HA  ))
      2.100     0.600     0.600 peak   133 spectrum    1 weight  0.10000E+01 volume  0.75830E-02 ppm1      8.717 ppm2      4.983 CV     1
 ASSI {  135}
   (( segid " 1SG" and resid 85   and name HN  ))
   (( segid " 1SG" and resid 84   and name HA  ))
      2.300     0.700     0.700 peak   135 spectrum    1 weight  0.10000E+01 volume  0.75340E-02 ppm1      9.407 ppm2      4.227 CV     1
 ASSI {  137}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 66   and name HA  ))
      2.500     0.800     0.800 peak   137 spectrum    1 weight  0.10000E+01 volume  0.75152E-02 ppm1      8.106 ppm2      4.123 CV     1
 ASSI {  140}
   (( segid " 1SG" and resid 29   and name HN  ))
   (  segid " 1SG" and resid 29   and name HB% )
      2.400     0.700     0.700 peak   140 spectrum    1 weight  0.10000E+01 volume  0.72896E-02 ppm1      8.854 ppm2      1.508 CV     1
 ASSI {  142}
   (( segid " 1SG" and resid 47   and name HN  ))
   (  segid " 1SG" and resid 47   and name HG1%)
      3.000     1.200     1.200 peak   142 spectrum    1 weight  0.10000E+01 volume  0.72607E-02 ppm1      7.291 ppm2      0.977 CV     1
 ASSI {  145}
   (( segid " 1SG" and resid 18   and name HN  ))
   (  segid " 1SG" and resid 18   and name HG2%)
      2.300     0.700     0.700 peak   145 spectrum    1 weight  0.10000E+01 volume  0.71960E-02 ppm1      8.005 ppm2      0.939 CV     1
 ASSI {  147}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 96   and name HA  ))
      2.300     0.700     0.700 peak   147 spectrum    1 weight  0.10000E+01 volume  0.71577E-02 ppm1      8.065 ppm2      4.772 CV     1
 ASSI {  148}
   (( segid " 1SG" and resid 12   and name HE21))
   (( segid " 1SG" and resid 12   and name HG2 ))
      2.500     0.800     0.800 peak   148 spectrum    1 weight  0.10000E+01 volume  0.71313E-02 ppm1      7.451 ppm2      2.471 CV     1
 OR {  148}
   (( segid " 1SG" and resid 12   and name HE21))
   (( segid " 1SG" and resid 12   and name HG1 ))
 ASSI {  150}
   (( segid " 1SG" and resid 101  and name HD22))
   (( segid " 1SG" and resid 12   and name HE21))
      2.100     2.100     3.900 peak   150 spectrum    1 weight  0.10000E+01 volume  0.70886E-02 ppm1      6.723 ppm2      7.459 CV     1
 ASSI {  152}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 108  and name HB2 ))
      2.400     0.700     0.700 peak   152 spectrum    1 weight  0.10000E+01 volume  0.70591E-02 ppm1      8.564 ppm2      1.911 CV     1
 ASSI {  155}
   (( segid " 1SG" and resid 19   and name HN  ))
   (( segid " 1SG" and resid 18   and name HA  ))
      2.100     0.500     0.500 peak   155 spectrum    1 weight  0.10000E+01 volume  0.69095E-02 ppm1      9.827 ppm2      3.479 CV     1
 ASSI {  156}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 14   and name HA2 ))
      2.300     0.700     0.700 peak   156 spectrum    1 weight  0.10000E+01 volume  0.68687E-02 ppm1      8.504 ppm2      4.931 CV     1
 ASSI {  159}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 78   and name HA  ))
      2.300     0.700     0.700 peak   159 spectrum    1 weight  0.10000E+01 volume  0.67619E-02 ppm1      8.974 ppm2      4.103 CV     1
 ASSI {  160}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 39   and name HA  ))
      2.100     0.500     0.500 peak   160 spectrum    1 weight  0.10000E+01 volume  0.66017E-02 ppm1      8.694 ppm2      4.799 CV     1
 ASSI {  161}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 37   and name HA  ))
      2.200     0.600     0.600 peak   161 spectrum    1 weight  0.10000E+01 volume  0.65565E-02 ppm1      8.374 ppm2      4.490 CV     1
 ASSI {  164}
   (( segid " 1SG" and resid 29   and name HN  ))
   (( segid " 1SG" and resid 28   and name HA  ))
      2.200     0.600     0.600 peak   164 spectrum    1 weight  0.10000E+01 volume  0.64905E-02 ppm1      8.854 ppm2      4.898 CV     1
 ASSI {  166}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 1    and name HA  ))
      2.300     0.700     0.700 peak   166 spectrum    1 weight  0.10000E+01 volume  0.63900E-02 ppm1      8.116 ppm2      4.614 CV     1
 ASSI {  167}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 24   and name HA  ))
      2.400     0.700     0.700 peak   167 spectrum    1 weight  0.10000E+01 volume  0.63403E-02 ppm1      8.399 ppm2      4.620 CV     1
 ASSI {  169}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 40   and name HA  ))
      2.200     0.600     0.600 peak   169 spectrum    1 weight  0.10000E+01 volume  0.63184E-02 ppm1      9.308 ppm2      4.547 CV     1
 ASSI {  170}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 107  and name HB2 ))
      3.200     1.300     1.300 peak   170 spectrum    1 weight  0.10000E+01 volume  0.62758E-02 ppm1      8.564 ppm2      3.074 CV     1
 OR {  170}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 107  and name HB1 ))
 ASSI {  175}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 23   and name HA  ))
      2.300     0.600     0.600 peak   175 spectrum    1 weight  0.10000E+01 volume  0.61516E-02 ppm1      9.240 ppm2      5.100 CV     1
 ASSI {  176}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 91   and name HA  ))
      2.300     0.700     0.700 peak   176 spectrum    1 weight  0.10000E+01 volume  0.61075E-02 ppm1      8.734 ppm2      4.747 CV     1
 ASSI {  177}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 78   and name HA  ))
      2.300     0.600     0.600 peak   177 spectrum    1 weight  0.10000E+01 volume  0.60026E-02 ppm1      8.053 ppm2      4.102 CV     1
 ASSI {  179}
   (( segid " 1SG" and resid 67   and name HN  ))
   (  segid " 1SG" and resid 66   and name HB% )
      2.700     0.900     0.900 peak   179 spectrum    1 weight  0.10000E+01 volume  0.59940E-02 ppm1      7.421 ppm2      1.408 CV     1
 ASSI {  180}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 3    and name HA  ))
      2.400     0.700     0.700 peak   180 spectrum    1 weight  0.10000E+01 volume  0.59386E-02 ppm1      8.264 ppm2      4.443 CV     1
 ASSI {  181}
   (( segid " 1SG" and resid 101  and name HD21))
   (( segid " 1SG" and resid 101  and name HD22))
      2.100     0.500     0.500 peak   181 spectrum    1 weight  0.10000E+01 volume  0.59220E-02 ppm1      7.438 ppm2      6.719 CV     1
 ASSI {  184}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 108  and name HA  ))
      2.500     0.800     0.800 peak   184 spectrum    1 weight  0.10000E+01 volume  0.57970E-02 ppm1      8.564 ppm2      4.141 CV     1
 ASSI {  186}
   (( segid " 1SG" and resid 30   and name HN  ))
   (( segid " 1SG" and resid 29   and name HA  ))
      2.200     0.600     0.600 peak   186 spectrum    1 weight  0.10000E+01 volume  0.57445E-02 ppm1      8.591 ppm2      4.384 CV     1
 ASSI {  189}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 77   and name HA  ))
      2.200     0.600     0.600 peak   189 spectrum    1 weight  0.10000E+01 volume  0.56287E-02 ppm1      8.053 ppm2      4.655 CV     1
 ASSI {  191}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 20   and name HA1 ))
      2.300     0.700     0.700 peak   191 spectrum    1 weight  0.10000E+01 volume  0.55405E-02 ppm1      8.825 ppm2      3.727 CV     1
 ASSI {  192}
   (( segid " 1SG" and resid 68   and name HN  ))
   (( segid " 1SG" and resid 68   and name HA  ))
      2.300     0.700     0.700 peak   192 spectrum    1 weight  0.10000E+01 volume  0.55130E-02 ppm1      7.877 ppm2      3.593 CV     1
 ASSI {  193}
   (( segid " 1SG" and resid 17   and name HN  ))
   (( segid " 1SG" and resid 17   and name HB  ))
      2.600     0.800     0.800 peak   193 spectrum    1 weight  0.10000E+01 volume  0.54981E-02 ppm1      7.899 ppm2      4.062 CV     1
 ASSI {  194}
   (( segid " 1SG" and resid 69   and name HN  ))
   (  segid " 1SG" and resid 69   and name HG2%)
      2.500     0.800     0.800 peak   194 spectrum    1 weight  0.10000E+01 volume  0.54901E-02 ppm1      6.899 ppm2      0.850 CV     1
 OR {  194}
   (( segid " 1SG" and resid 69   and name HN  ))
   (  segid " 1SG" and resid 69   and name HG1%)
 ASSI {  197}
   (( segid " 1SG" and resid 39   and name HN  ))
   (  segid " 1SG" and resid 38   and name HG2%)
      3.400     1.400     1.400 peak   197 spectrum    1 weight  0.10000E+01 volume  0.54332E-02 ppm1      7.892 ppm2      0.789 CV     1
 ASSI {  198}
   (( segid " 1SG" and resid 63   and name HN  ))
   (( segid " 1SG" and resid 62   and name HA  ))
      2.500     0.800     0.800 peak   198 spectrum    1 weight  0.10000E+01 volume  0.53896E-02 ppm1      8.517 ppm2      4.602 CV     1
 ASSI {  199}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 13   and name HA  ))
      2.800     1.000     1.000 peak   199 spectrum    1 weight  0.10000E+01 volume  0.53709E-02 ppm1      9.183 ppm2      5.338 CV     1
 ASSI {  200}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 72   and name HA  ))
      2.300     0.700     0.700 peak   200 spectrum    1 weight  0.10000E+01 volume  0.53449E-02 ppm1      9.450 ppm2      5.366 CV     1
 ASSI {  201}
   (( segid " 1SG" and resid 12   and name HN  ))
   (( segid " 1SG" and resid 11   and name HA  ))
      2.500     0.800     0.800 peak   201 spectrum    1 weight  0.10000E+01 volume  0.53401E-02 ppm1      8.345 ppm2      4.804 CV     1
 ASSI {  202}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 46   and name HZ2 ))
      2.700     0.900     0.900 peak   202 spectrum    1 weight  0.10000E+01 volume  0.53358E-02 ppm1     10.116 ppm2      7.380 CV     1
 ASSI {  203}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 52   and name HN  ))
      2.500     0.800     0.800 peak   203 spectrum    1 weight  0.10000E+01 volume  0.53106E-02 ppm1      6.764 ppm2      7.787 CV     1
 ASSI {  204}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 20   and name HA2 ))
      2.900     1.000     1.000 peak   204 spectrum    1 weight  0.10000E+01 volume  0.52894E-02 ppm1      8.825 ppm2      4.373 CV     1
 ASSI {  206}
   (( segid " 1SG" and resid 26   and name HN  ))
   (( segid " 1SG" and resid 25   and name HA  ))
      2.300     0.700     0.700 peak   206 spectrum    1 weight  0.10000E+01 volume  0.51892E-02 ppm1      9.497 ppm2      5.685 CV     1
 ASSI {  208}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 105  and name HA  ))
      2.300     0.700     0.700 peak   208 spectrum    1 weight  0.10000E+01 volume  0.51685E-02 ppm1      8.151 ppm2      4.533 CV     1
 ASSI {  211}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 14   and name HA1 ))
      3.000     1.100     1.100 peak   211 spectrum    1 weight  0.10000E+01 volume  0.51382E-02 ppm1      8.504 ppm2      3.743 CV     1
 ASSI {  212}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HB1 ))
      2.700     0.900     0.900 peak   212 spectrum    1 weight  0.10000E+01 volume  0.51336E-02 ppm1      8.305 ppm2      1.753 CV     1
 OR {  212}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HB2 ))
 ASSI {  216}
   (( segid " 1SG" and resid 12   and name HE22))
   (( segid " 1SG" and resid 12   and name HG2 ))
      3.200     1.300     1.300 peak   216 spectrum    1 weight  0.10000E+01 volume  0.50893E-02 ppm1      6.922 ppm2      2.472 CV     1
 OR {  216}
   (( segid " 1SG" and resid 12   and name HE22))
   (( segid " 1SG" and resid 12   and name HG1 ))
 ASSI {  217}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 76   and name HG12))
      3.400     3.400     2.600 peak   217 spectrum    1 weight  0.10000E+01 volume  0.50712E-02 ppm1      9.019 ppm2      1.097 CV     1
 ASSI {  218}
   (( segid " 1SG" and resid 16   and name HN  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      2.600     0.800     0.800 peak   218 spectrum    1 weight  0.10000E+01 volume  0.50640E-02 ppm1      8.593 ppm2      0.602 CV     1
 ASSI {  219}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 67   and name HN  ))
      2.400     0.700     0.700 peak   219 spectrum    1 weight  0.10000E+01 volume  0.50480E-02 ppm1      8.106 ppm2      7.421 CV     1
 ASSI {  220}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 2    and name HB2 ))
      2.400     0.700     0.700 peak   220 spectrum    1 weight  0.10000E+01 volume  0.49915E-02 ppm1      8.116 ppm2      2.658 CV     1
 ASSI {  221}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 39   and name HB  ))
      2.600     0.800     0.800 peak   221 spectrum    1 weight  0.10000E+01 volume  0.49101E-02 ppm1      7.890 ppm2      0.582 CV     1
 ASSI {  222}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 35   and name HA  ))
      2.500     0.800     0.800 peak   222 spectrum    1 weight  0.10000E+01 volume  0.48731E-02 ppm1      7.511 ppm2      4.664 CV     1
 ASSI {  223}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 74   and name HA  ))
      2.300     0.600     0.600 peak   223 spectrum    1 weight  0.10000E+01 volume  0.48658E-02 ppm1      9.151 ppm2      4.330 CV     1
 ASSI {  228}
   (( segid " 1SG" and resid 15   and name HN  ))
   (  segid " 1SG" and resid 22   and name HD1%)
      3.200     1.300     1.300 peak   228 spectrum    1 weight  0.10000E+01 volume  0.47294E-02 ppm1      8.505 ppm2      0.527 CV     1
 ASSI {  229}
   (( segid " 1SG" and resid 85   and name HN  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      3.100     1.200     1.200 peak   229 spectrum    1 weight  0.10000E+01 volume  0.47152E-02 ppm1      9.407 ppm2      1.494 CV     1
 ASSI {  230}
   (( segid " 1SG" and resid 22   and name HN  ))
   (  segid " 1SG" and resid 22   and name HG2%)
      2.500     0.800     0.800 peak   230 spectrum    1 weight  0.10000E+01 volume  0.46880E-02 ppm1      8.888 ppm2      0.583 CV     1
 ASSI {  231}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 68   and name HN  ))
      2.100     0.600     0.600 peak   231 spectrum    1 weight  0.10000E+01 volume  0.46632E-02 ppm1      7.422 ppm2      7.877 CV     1
 ASSI {  232}
   (( segid " 1SG" and resid 38   and name HN  ))
   (  segid " 1SG" and resid 38   and name HG1%)
      3.000     1.100     1.100 peak   232 spectrum    1 weight  0.10000E+01 volume  0.46582E-02 ppm1      8.373 ppm2      0.842 CV     1
 ASSI {  235}
   (( segid " 1SG" and resid 18   and name HN  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      2.700     0.900     0.900 peak   235 spectrum    1 weight  0.10000E+01 volume  0.45929E-02 ppm1      8.004 ppm2      1.281 CV     1
 ASSI {  236}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 108  and name HG2 ))
      3.500     1.500     1.500 peak   236 spectrum    1 weight  0.10000E+01 volume  0.45846E-02 ppm1      8.564 ppm2      2.233 CV     1
 OR {  236}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 108  and name HG1 ))
 ASSI {  240}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 26   and name HA  ))
      2.500     0.800     0.800 peak   240 spectrum    1 weight  0.10000E+01 volume  0.44772E-02 ppm1      8.891 ppm2      4.916 CV     1
 ASSI {  244}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 13   and name HB2 ))
      2.900     1.000     1.000 peak   244 spectrum    1 weight  0.10000E+01 volume  0.44183E-02 ppm1      8.312 ppm2      2.683 CV     1
 ASSI {  245}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      2.900     1.000     1.000 peak   245 spectrum    1 weight  0.10000E+01 volume  0.43914E-02 ppm1      7.198 ppm2      1.453 CV     1
 ASSI {  246}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 103  and name HA  ))
      2.400     0.700     0.700 peak   246 spectrum    1 weight  0.10000E+01 volume  0.43906E-02 ppm1      8.793 ppm2      5.542 CV     1
 ASSI {  247}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 98   and name HA  ))
      2.700     0.900     0.900 peak   247 spectrum    1 weight  0.10000E+01 volume  0.43896E-02 ppm1      9.228 ppm2      4.702 CV     1
 ASSI {  248}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 38   and name HB  ))
      2.600     0.800     0.800 peak   248 spectrum    1 weight  0.10000E+01 volume  0.43823E-02 ppm1      8.373 ppm2      1.890 CV     1
 ASSI {  250}
   (( segid " 1SG" and resid 70   and name HN  ))
   (( segid " 1SG" and resid 69   and name HA  ))
      2.400     0.700     0.700 peak   250 spectrum    1 weight  0.10000E+01 volume  0.43025E-02 ppm1      9.273 ppm2      4.579 CV     1
 ASSI {  251}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 84   and name HN  ))
      2.400     0.700     0.700 peak   251 spectrum    1 weight  0.10000E+01 volume  0.42951E-02 ppm1      8.255 ppm2      7.866 CV     1
 ASSI {  253}
   (( segid " 1SG" and resid 10   and name HN  ))
   (( segid " 1SG" and resid 9    and name HA  ))
      2.600     0.800     0.800 peak   253 spectrum    1 weight  0.10000E+01 volume  0.42466E-02 ppm1      8.853 ppm2      4.646 CV     1
 ASSI {  256}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 102  and name HA  ))
      2.500     0.800     0.800 peak   256 spectrum    1 weight  0.10000E+01 volume  0.42160E-02 ppm1      9.243 ppm2      4.989 CV     1
 ASSI {  259}
   (( segid " 1SG" and resid 23   and name HN  ))
   (( segid " 1SG" and resid 23   and name HB  ))
      2.600     0.900     0.900 peak   259 spectrum    1 weight  0.10000E+01 volume  0.41240E-02 ppm1      7.914 ppm2      3.583 CV     1
 ASSI {  265}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 35   and name HG1 ))
      2.400     0.700     0.700 peak   265 spectrum    1 weight  0.10000E+01 volume  0.39936E-02 ppm1      7.511 ppm2      1.348 CV     1
 OR {  265}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 35   and name HG2 ))
 ASSI {  266}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 79   and name HA  ))
      2.600     0.900     0.900 peak   266 spectrum    1 weight  0.10000E+01 volume  0.39459E-02 ppm1      8.973 ppm2      3.661 CV     1
 ASSI {  267}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HG2 ))
      2.700     0.900     0.900 peak   267 spectrum    1 weight  0.10000E+01 volume  0.39328E-02 ppm1      8.306 ppm2      1.685 CV     1
 OR {  267}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HG1 ))
 ASSI {  268}
   (( segid " 1SG" and resid 72   and name HN  ))
   (( segid " 1SG" and resid 71   and name HA  ))
      2.300     0.600     0.600 peak   268 spectrum    1 weight  0.10000E+01 volume  0.39180E-02 ppm1      9.295 ppm2      5.062 CV     1
 ASSI {  269}
   (( segid " 1SG" and resid 17   and name HN  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      3.200     1.300     1.300 peak   269 spectrum    1 weight  0.10000E+01 volume  0.39115E-02 ppm1      7.900 ppm2      1.280 CV     1
 ASSI {  270}
   (( segid " 1SG" and resid 29   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG1%)
      2.600     0.900     0.900 peak   270 spectrum    1 weight  0.10000E+01 volume  0.38988E-02 ppm1      8.855 ppm2      0.945 CV     1
 OR {  270}
   (( segid " 1SG" and resid 29   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG2%)
 ASSI {  271}
   (( segid " 1SG" and resid 94   and name HN  ))
   (( segid " 1SG" and resid 93   and name HA  ))
      2.500     0.800     0.800 peak   271 spectrum    1 weight  0.10000E+01 volume  0.38942E-02 ppm1      8.339 ppm2      4.764 CV     1
 ASSI {  272}
   (( segid " 1SG" and resid 93   and name HN  ))
   (( segid " 1SG" and resid 92   and name HB1 ))
      3.400     1.400     1.400 peak   272 spectrum    1 weight  0.10000E+01 volume  0.38815E-02 ppm1      8.558 ppm2      3.937 CV     1
 OR {  272}
   (( segid " 1SG" and resid 93   and name HN  ))
   (( segid " 1SG" and resid 92   and name HB2 ))
 ASSI {  273}
   (( segid " 1SG" and resid 77   and name HN  ))
   (  segid " 1SG" and resid 76   and name HG2%)
      3.000     1.100     1.100 peak   273 spectrum    1 weight  0.10000E+01 volume  0.37995E-02 ppm1      8.717 ppm2      0.785 CV     1
 ASSI {  274}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 95   and name HN  ))
      2.000     0.500     0.500 peak   274 spectrum    1 weight  0.10000E+01 volume  0.37825E-02 ppm1      7.549 ppm2      7.973 CV     1
 ASSI {  275}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB1 ))
      2.500     0.800     0.800 peak   275 spectrum    1 weight  0.10000E+01 volume  0.37695E-02 ppm1      8.381 ppm2      1.692 CV     1
 OR {  275}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB2 ))
 ASSI {  276}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 96   and name HB2 ))
      3.400     3.400     2.600 peak   276 spectrum    1 weight  0.10000E+01 volume  0.37446E-02 ppm1      8.263 ppm2      1.571 CV     1
 ASSI {  278}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 5    and name HN  ))
      2.500     0.800     0.800 peak   278 spectrum    1 weight  0.10000E+01 volume  0.37274E-02 ppm1      8.263 ppm2      8.143 CV     1
 ASSI {  279}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 68   and name HN  ))
      2.600     0.900     0.900 peak   279 spectrum    1 weight  0.10000E+01 volume  0.37171E-02 ppm1      6.899 ppm2      7.876 CV     1
 ASSI {  281}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 104  and name HA  ))
      2.500     0.800     0.800 peak   281 spectrum    1 weight  0.10000E+01 volume  0.37078E-02 ppm1      8.399 ppm2      5.431 CV     1
 ASSI {  285}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 4    and name HA  ))
      2.700     0.900     0.900 peak   285 spectrum    1 weight  0.10000E+01 volume  0.36815E-02 ppm1      8.264 ppm2      4.015 CV     1
 ASSI {  287}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 78   and name HN  ))
      2.800     0.900     0.900 peak   287 spectrum    1 weight  0.10000E+01 volume  0.36157E-02 ppm1      8.974 ppm2      8.055 CV     1
 ASSI {  288}
   (( segid " 1SG" and resid 86   and name HN  ))
   (( segid " 1SG" and resid 85   and name HA2 ))
      2.500     0.800     0.800 peak   288 spectrum    1 weight  0.10000E+01 volume  0.36119E-02 ppm1      7.948 ppm2      4.508 CV     1
 ASSI {  290}
   (( segid " 1SG" and resid 48   and name HN  ))
   (( segid " 1SG" and resid 48   and name HB2 ))
      2.800     1.000     1.000 peak   290 spectrum    1 weight  0.10000E+01 volume  0.35824E-02 ppm1      8.397 ppm2      2.936 CV     1
 ASSI {  294}
   (( segid " 1SG" and resid 98   and name HN  ))
   (( segid " 1SG" and resid 97   and name HA  ))
      2.700     0.900     0.900 peak   294 spectrum    1 weight  0.10000E+01 volume  0.35326E-02 ppm1      8.417 ppm2      5.247 CV     1
 ASSI {  295}
   (( segid " 1SG" and resid 86   and name HN  ))
   (( segid " 1SG" and resid 85   and name HA1 ))
      2.800     1.000     1.000 peak   295 spectrum    1 weight  0.10000E+01 volume  0.35319E-02 ppm1      7.948 ppm2      3.928 CV     1
 ASSI {  297}
   (( segid " 1SG" and resid 19   and name HN  ))
   (( segid " 1SG" and resid 19   and name HA1 ))
      2.900     1.100     1.100 peak   297 spectrum    1 weight  0.10000E+01 volume  0.34911E-02 ppm1      9.829 ppm2      4.250 CV     1
 ASSI {  298}
   (( segid " 1SG" and resid 19   and name HN  ))
   (  segid " 1SG" and resid 18   and name HG1%)
      3.200     1.200     1.200 peak   298 spectrum    1 weight  0.10000E+01 volume  0.34903E-02 ppm1      9.828 ppm2      0.981 CV     1
 ASSI {  300}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 27   and name HA  ))
      2.500     0.800     0.800 peak   300 spectrum    1 weight  0.10000E+01 volume  0.34364E-02 ppm1      9.673 ppm2      5.831 CV     1
 ASSI {  302}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 53   and name HA  ))
      2.300     0.700     0.700 peak   302 spectrum    1 weight  0.10000E+01 volume  0.34337E-02 ppm1      6.765 ppm2      4.049 CV     1
 ASSI {  303}
   (( segid " 1SG" and resid 84   and name HN  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      3.500     1.500     1.500 peak   303 spectrum    1 weight  0.10000E+01 volume  0.34186E-02 ppm1      7.866 ppm2      1.494 CV     1
 ASSI {  304}
   (( segid " 1SG" and resid 30   and name HN  ))
   (  segid " 1SG" and resid 29   and name HB% )
      3.400     1.400     1.400 peak   304 spectrum    1 weight  0.10000E+01 volume  0.34139E-02 ppm1      8.591 ppm2      1.513 CV     1
 ASSI {  305}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 51   and name HN  ))
      2.500     0.800     0.800 peak   305 spectrum    1 weight  0.10000E+01 volume  0.34029E-02 ppm1      7.784 ppm2      7.881 CV     1
 ASSI {  306}
   (( segid " 1SG" and resid 24   and name HN  ))
   (  segid " 1SG" and resid 23   and name HG2%)
      2.800     1.000     1.000 peak   306 spectrum    1 weight  0.10000E+01 volume  0.33908E-02 ppm1      9.240 ppm2      0.769 CV     1
 ASSI {  307}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 34   and name HA  ))
      2.900     1.100     1.100 peak   307 spectrum    1 weight  0.10000E+01 volume  0.33823E-02 ppm1      7.511 ppm2      4.289 CV     1
 ASSI {  308}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 2    and name HA  ))
      2.800     0.900     0.900 peak   308 spectrum    1 weight  0.10000E+01 volume  0.33802E-02 ppm1      8.115 ppm2      4.899 CV     1
 ASSI {  309}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 68   and name HA  ))
      2.600     0.900     0.900 peak   309 spectrum    1 weight  0.10000E+01 volume  0.33796E-02 ppm1      6.899 ppm2      3.593 CV     1
 ASSI {  310}
   (( segid " 1SG" and resid 90   and name HN  ))
   (( segid " 1SG" and resid 89   and name HA  ))
      2.600     0.900     0.900 peak   310 spectrum    1 weight  0.10000E+01 volume  0.33724E-02 ppm1      9.489 ppm2      4.946 CV     1
 ASSI {  311}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (  segid " 1SG" and resid 39   and name HG1%)
      2.800     1.000     1.000 peak   311 spectrum    1 weight  0.10000E+01 volume  0.33722E-02 ppm1     10.780 ppm2     -0.081 CV     1
 ASSI {  312}
   (( segid " 1SG" and resid 93   and name HN  ))
   (( segid " 1SG" and resid 93   and name HA  ))
      2.700     0.900     0.900 peak   312 spectrum    1 weight  0.10000E+01 volume  0.33570E-02 ppm1      8.558 ppm2      4.778 CV     1
 ASSI {  314}
   (( segid " 1SG" and resid 72   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD1%)
      2.800     1.000     1.000 peak   314 spectrum    1 weight  0.10000E+01 volume  0.33294E-02 ppm1      9.295 ppm2      0.842 CV     1
 ASSI {  315}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 67   and name HA  ))
      2.800     1.000     1.000 peak   315 spectrum    1 weight  0.10000E+01 volume  0.32897E-02 ppm1      7.421 ppm2      4.297 CV     1
 ASSI {  316}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 83   and name HA  ))
      2.700     0.900     0.900 peak   316 spectrum    1 weight  0.10000E+01 volume  0.32810E-02 ppm1      8.255 ppm2      4.603 CV     1
 ASSI {  318}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      3.400     1.500     1.500 peak   318 spectrum    1 weight  0.10000E+01 volume  0.32596E-02 ppm1      8.940 ppm2      1.448 CV     1
 ASSI {  319}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 48   and name HA  ))
      2.500     0.800     0.800 peak   319 spectrum    1 weight  0.10000E+01 volume  0.32578E-02 ppm1      9.288 ppm2      4.192 CV     1
 ASSI {  320}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 58   and name HB2 ))
      3.300     1.400     1.400 peak   320 spectrum    1 weight  0.10000E+01 volume  0.32556E-02 ppm1      7.438 ppm2      2.396 CV     1
 OR {  320}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 58   and name HB1 ))
 ASSI {  321}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 73   and name HA  ))
      2.500     0.800     0.800 peak   321 spectrum    1 weight  0.10000E+01 volume  0.32552E-02 ppm1      8.470 ppm2      5.470 CV     1
 ASSI {  322}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 52   and name HA  ))
      2.800     1.000     1.000 peak   322 spectrum    1 weight  0.10000E+01 volume  0.32543E-02 ppm1      7.785 ppm2      4.613 CV     1
 ASSI {  323}
   (( segid " 1SG" and resid 40   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG1%)
      3.000     1.100     1.100 peak   323 spectrum    1 weight  0.10000E+01 volume  0.32136E-02 ppm1      8.694 ppm2     -0.080 CV     1
 ASSI {  324}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 43   and name HA  ))
      2.500     0.800     0.800 peak   324 spectrum    1 weight  0.10000E+01 volume  0.32120E-02 ppm1      8.211 ppm2      4.128 CV     1
 ASSI {  325}
   (( segid " 1SG" and resid 4    and name HN  ))
   (  segid " 1SG" and resid 4    and name HG2%)
      3.500     1.600     1.600 peak   325 spectrum    1 weight  0.10000E+01 volume  0.31991E-02 ppm1      8.264 ppm2      0.922 CV     1
 ASSI {  326}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 83   and name HB2 ))
      2.400     0.700     0.700 peak   326 spectrum    1 weight  0.10000E+01 volume  0.31823E-02 ppm1      8.255 ppm2      3.172 CV     1
 ASSI {  327}
   (( segid " 1SG" and resid 75   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD2%)
      3.700     1.700     1.700 peak   327 spectrum    1 weight  0.10000E+01 volume  0.31653E-02 ppm1      9.151 ppm2      0.400 CV     1
 OR {  327}
   (( segid " 1SG" and resid 75   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI {  328}
   (( segid " 1SG" and resid 107  and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.000     1.100     1.100 peak   328 spectrum    1 weight  0.10000E+01 volume  0.31631E-02 ppm1      8.822 ppm2      0.372 CV     1
 ASSI {  329}
   (( segid " 1SG" and resid 64   and name HN  ))
   (( segid " 1SG" and resid 64   and name HB2 ))
      2.900     1.100     1.100 peak   329 spectrum    1 weight  0.10000E+01 volume  0.31628E-02 ppm1      7.752 ppm2      2.335 CV     1
 ASSI {  330}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 5    and name HA2 ))
      3.300     1.400     1.400 peak   330 spectrum    1 weight  0.10000E+01 volume  0.31541E-02 ppm1      8.264 ppm2      3.842 CV     1
 OR {  330}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 5    and name HA1 ))
 ASSI {  332}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 75   and name HB2 ))
      2.700     0.900     0.900 peak   332 spectrum    1 weight  0.10000E+01 volume  0.31126E-02 ppm1      9.150 ppm2      2.889 CV     1
 OR {  332}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 75   and name HB1 ))
 ASSI {  333}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 15   and name HB2 ))
      2.900     1.000     1.000 peak   333 spectrum    1 weight  0.10000E+01 volume  0.31080E-02 ppm1      8.504 ppm2      2.013 CV     1
 OR {  333}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 15   and name HB1 ))
 ASSI {  335}
   (( segid " 1SG" and resid 5    and name HN  ))
   (( segid " 1SG" and resid 5    and name HA2 ))
      2.700     0.900     0.900 peak   335 spectrum    1 weight  0.10000E+01 volume  0.30699E-02 ppm1      8.144 ppm2      3.857 CV     1
 OR {  335}
   (( segid " 1SG" and resid 5    and name HN  ))
   (( segid " 1SG" and resid 5    and name HA1 ))
 ASSI {  336}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (  segid " 1SG" and resid 59   and name HD2%)
      2.800     1.000     1.000 peak   336 spectrum    1 weight  0.10000E+01 volume  0.30640E-02 ppm1     10.780 ppm2      0.692 CV     1
 ASSI {  339}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 19   and name HN  ))
      2.500     0.800     0.800 peak   339 spectrum    1 weight  0.10000E+01 volume  0.30403E-02 ppm1      8.825 ppm2      9.828 CV     1
 ASSI {  340}
   (( segid " 1SG" and resid 80   and name HE21))
   (( segid " 1SG" and resid 80   and name HG1 ))
      2.800     0.900     0.900 peak   340 spectrum    1 weight  0.10000E+01 volume  0.30356E-02 ppm1      6.984 ppm2      2.164 CV     1
 OR {  340}
   (( segid " 1SG" and resid 80   and name HE21))
   (( segid " 1SG" and resid 80   and name HG2 ))
 ASSI {  342}
   (( segid " 1SG" and resid 18   and name HN  ))
   (( segid " 1SG" and resid 17   and name HB  ))
      3.000     1.100     1.100 peak   342 spectrum    1 weight  0.10000E+01 volume  0.30277E-02 ppm1      8.006 ppm2      4.061 CV     1
 ASSI {  344}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 107  and name HB1 ))
      2.900     1.000     1.000 peak   344 spectrum    1 weight  0.10000E+01 volume  0.30177E-02 ppm1      8.825 ppm2      3.076 CV     1
 OR {  344}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 107  and name HB2 ))
 ASSI {  346}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HA  ))
      2.800     1.000     1.000 peak   346 spectrum    1 weight  0.10000E+01 volume  0.30044E-02 ppm1      8.305 ppm2      3.450 CV     1
 ASSI {  348}
   (( segid " 1SG" and resid 21   and name HN  ))
   (( segid " 1SG" and resid 20   and name HN  ))
      3.600     1.600     1.600 peak   348 spectrum    1 weight  0.10000E+01 volume  0.29833E-02 ppm1      8.168 ppm2      8.828 CV     1
 ASSI {  350}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 42   and name HA  ))
      2.700     0.900     0.900 peak   350 spectrum    1 weight  0.10000E+01 volume  0.29681E-02 ppm1      8.632 ppm2      5.786 CV     1
 ASSI {  351}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 54   and name HN  ))
      2.700     0.900     0.900 peak   351 spectrum    1 weight  0.10000E+01 volume  0.29512E-02 ppm1      7.198 ppm2      9.022 CV     1
 ASSI {  352}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 15   and name HB1 ))
      3.300     1.300     1.300 peak   352 spectrum    1 weight  0.10000E+01 volume  0.29500E-02 ppm1      8.593 ppm2      2.019 CV     1
 OR {  352}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 15   and name HB2 ))
 ASSI {  353}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 4    and name HG12))
      3.600     1.600     1.600 peak   353 spectrum    1 weight  0.10000E+01 volume  0.29500E-02 ppm1      8.263 ppm2      1.225 CV     1
 ASSI {  354}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 16   and name HA  ))
      2.800     1.000     1.000 peak   354 spectrum    1 weight  0.10000E+01 volume  0.29470E-02 ppm1      8.593 ppm2      4.581 CV     1
 ASSI {  355}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 52   and name HA  ))
      3.100     1.200     1.200 peak   355 spectrum    1 weight  0.10000E+01 volume  0.29453E-02 ppm1      6.764 ppm2      4.611 CV     1
 ASSI {  356}
   (( segid " 1SG" and resid 48   and name HN  ))
   (  segid " 1SG" and resid 47   and name HG2%)
      3.700     1.700     1.700 peak   356 spectrum    1 weight  0.10000E+01 volume  0.29380E-02 ppm1      8.397 ppm2      0.779 CV     1
 ASSI {  357}
   (( segid " 1SG" and resid 23   and name HN  ))
   (( segid " 1SG" and resid 22   and name HG12))
      3.900     1.900     1.900 peak   357 spectrum    1 weight  0.10000E+01 volume  0.29356E-02 ppm1      7.913 ppm2      0.071 CV     1
 ASSI {  358}
   (( segid " 1SG" and resid 39   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG2%)
      2.800     0.900     0.900 peak   358 spectrum    1 weight  0.10000E+01 volume  0.29345E-02 ppm1      7.891 ppm2     -0.459 CV     1
 ASSI {  361}
   (( segid " 1SG" and resid 83   and name HN  ))
   (  segid " 1SG" and resid 82   and name HB% )
      3.200     1.300     1.300 peak   361 spectrum    1 weight  0.10000E+01 volume  0.29010E-02 ppm1      8.256 ppm2      1.312 CV     1
 ASSI {  362}
   (( segid " 1SG" and resid 18   and name HN  ))
   (( segid " 1SG" and resid 18   and name HA  ))
      2.700     0.900     0.900 peak   362 spectrum    1 weight  0.10000E+01 volume  0.28968E-02 ppm1      8.005 ppm2      3.479 CV     1
 ASSI {  363}
   (( segid " 1SG" and resid 47   and name HN  ))
   (  segid " 1SG" and resid 47   and name HG2%)
      2.500     2.500     3.500 peak   363 spectrum    1 weight  0.10000E+01 volume  0.28743E-02 ppm1      7.291 ppm2      0.780 CV     1
 ASSI {  364}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 65   and name HN  ))
      2.700     0.900     0.900 peak   364 spectrum    1 weight  0.10000E+01 volume  0.28691E-02 ppm1      8.106 ppm2      8.306 CV     1
 ASSI {  367}
   (( segid " 1SG" and resid 17   and name HN  ))
   (( segid " 1SG" and resid 16   and name HB  ))
      2.800     1.000     1.000 peak   367 spectrum    1 weight  0.10000E+01 volume  0.28551E-02 ppm1      7.901 ppm2      1.791 CV     1
 ASSI {  368}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 67   and name HB2 ))
      2.900     1.100     1.100 peak   368 spectrum    1 weight  0.10000E+01 volume  0.28523E-02 ppm1      7.421 ppm2      3.728 CV     1
 OR {  368}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 67   and name HB1 ))
 ASSI {  370}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 61   and name HB2 ))
      3.300     1.400     1.400 peak   370 spectrum    1 weight  0.10000E+01 volume  0.28448E-02 ppm1      8.849 ppm2      2.303 CV     1
 ASSI {  371}
   (( segid " 1SG" and resid 92   and name HN  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      2.900     1.100     1.100 peak   371 spectrum    1 weight  0.10000E+01 volume  0.28410E-02 ppm1      8.734 ppm2      0.173 CV     1
 ASSI {  372}
   (( segid " 1SG" and resid 64   and name HN  ))
   (( segid " 1SG" and resid 64   and name HA  ))
      2.800     1.000     1.000 peak   372 spectrum    1 weight  0.10000E+01 volume  0.28378E-02 ppm1      7.752 ppm2      4.579 CV     1
 ASSI {  373}
   (( segid " 1SG" and resid 64   and name HN  ))
   (  segid " 1SG" and resid 63   and name HD% )
      3.000     1.200     1.200 peak   373 spectrum    1 weight  0.10000E+01 volume  0.28271E-02 ppm1      7.752 ppm2      5.902 CV     1
 ASSI {  374}
   (( segid " 1SG" and resid 77   and name HN  ))
   (  segid " 1SG" and resid 77   and name HG2%)
      2.900     1.000     1.000 peak   374 spectrum    1 weight  0.10000E+01 volume  0.28145E-02 ppm1      8.717 ppm2      1.030 CV     1
 ASSI {  376}
   (( segid " 1SG" and resid 42   and name HN  ))
   (( segid " 1SG" and resid 41   and name HA  ))
      2.700     0.900     0.900 peak   376 spectrum    1 weight  0.10000E+01 volume  0.28068E-02 ppm1      9.447 ppm2      5.468 CV     1
 ASSI {  378}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 12   and name HB2 ))
      3.000     1.200     1.200 peak   378 spectrum    1 weight  0.10000E+01 volume  0.27981E-02 ppm1      8.312 ppm2      1.966 CV     1
 ASSI {  379}
   (( segid " 1SG" and resid 58   and name HE22))
   (( segid " 1SG" and resid 58   and name HB2 ))
      3.700     1.700     1.700 peak   379 spectrum    1 weight  0.10000E+01 volume  0.27912E-02 ppm1      6.684 ppm2      2.396 CV     1
 OR {  379}
   (( segid " 1SG" and resid 58   and name HE22))
   (( segid " 1SG" and resid 58   and name HB1 ))
 ASSI {  382}
   (( segid " 1SG" and resid 76   and name HN  ))
   (( segid " 1SG" and resid 76   and name HB  ))
      2.600     0.800     0.800 peak   382 spectrum    1 weight  0.10000E+01 volume  0.27724E-02 ppm1      8.925 ppm2      1.902 CV     1
 ASSI {  383}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 12   and name HG2 ))
      4.000     2.000     2.000 peak   383 spectrum    1 weight  0.10000E+01 volume  0.27693E-02 ppm1      8.312 ppm2      2.471 CV     1
 OR {  383}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 12   and name HG1 ))
 ASSI {  384}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 96   and name HG1 ))
      3.100     1.200     1.200 peak   384 spectrum    1 weight  0.10000E+01 volume  0.27665E-02 ppm1      7.548 ppm2      1.318 CV     1
 OR {  384}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 96   and name HG2 ))
 ASSI {  388}
   (( segid " 1SG" and resid 106  and name HN  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      3.400     1.400     1.400 peak   388 spectrum    1 weight  0.10000E+01 volume  0.27386E-02 ppm1      8.150 ppm2      1.495 CV     1
 ASSI {  389}
   (( segid " 1SG" and resid 26   and name HN  ))
   (  segid " 1SG" and resid 26   and name HB% )
      2.800     1.000     1.000 peak   389 spectrum    1 weight  0.10000E+01 volume  0.27357E-02 ppm1      9.497 ppm2      1.455 CV     1
 ASSI {  390}
   (( segid " 1SG" and resid 20   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      3.200     1.300     1.300 peak   390 spectrum    1 weight  0.10000E+01 volume  0.27324E-02 ppm1      8.825 ppm2      1.174 CV     1
 ASSI {  391}
   (( segid " 1SG" and resid 21   and name HN  ))
   (( segid " 1SG" and resid 21   and name HA  ))
      2.600     0.800     0.800 peak   391 spectrum    1 weight  0.10000E+01 volume  0.27285E-02 ppm1      8.169 ppm2      5.493 CV     1
 ASSI {  392}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 59   and name HG  ))
      3.600     1.600     1.600 peak   392 spectrum    1 weight  0.10000E+01 volume  0.27256E-02 ppm1      8.382 ppm2      1.425 CV     1
 ASSI {  393}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 57   and name HA  ))
      2.700     0.900     0.900 peak   393 spectrum    1 weight  0.10000E+01 volume  0.27255E-02 ppm1      7.198 ppm2      5.399 CV     1
 ASSI {  395}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 107  and name HA  ))
      2.800     1.000     1.000 peak   395 spectrum    1 weight  0.10000E+01 volume  0.27166E-02 ppm1      8.825 ppm2      4.841 CV     1
 ASSI {  396}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 53   and name HB  ))
      3.600     1.600     1.600 peak   396 spectrum    1 weight  0.10000E+01 volume  0.27083E-02 ppm1      9.019 ppm2      2.127 CV     1
 ASSI {  397}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 52   and name HG1 ))
      3.600     1.600     1.600 peak   397 spectrum    1 weight  0.10000E+01 volume  0.27068E-02 ppm1      7.786 ppm2      1.324 CV     1
 OR {  397}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 52   and name HG2 ))
 ASSI {  398}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 13   and name HA  ))
      2.800     1.000     1.000 peak   398 spectrum    1 weight  0.10000E+01 volume  0.27048E-02 ppm1      8.312 ppm2      5.337 CV     1
 ASSI {  399}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 44   and name HA1 ))
      2.700     0.900     0.900 peak   399 spectrum    1 weight  0.10000E+01 volume  0.26924E-02 ppm1      8.211 ppm2      3.463 CV     1
 ASSI {  401}
   (( segid " 1SG" and resid 12   and name HN  ))
   (( segid " 1SG" and resid 12   and name HG2 ))
      2.900     1.100     1.100 peak   401 spectrum    1 weight  0.10000E+01 volume  0.26785E-02 ppm1      8.346 ppm2      2.468 CV     1
 OR {  401}
   (( segid " 1SG" and resid 12   and name HN  ))
   (( segid " 1SG" and resid 12   and name HG1 ))
 ASSI {  402}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 8    and name HN  ))
      2.800     0.900     0.900 peak   402 spectrum    1 weight  0.10000E+01 volume  0.26667E-02 ppm1      7.888 ppm2      9.053 CV     1
 ASSI {  403}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB1 ))
      3.600     1.600     1.600 peak   403 spectrum    1 weight  0.10000E+01 volume  0.26632E-02 ppm1      8.686 ppm2      1.687 CV     1
 OR {  403}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB2 ))
 ASSI {  404}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 62   and name HA  ))
      2.800     1.000     1.000 peak   404 spectrum    1 weight  0.10000E+01 volume  0.26620E-02 ppm1      8.849 ppm2      4.602 CV     1
 ASSI {  407}
   (( segid " 1SG" and resid 60   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD2%)
      3.100     1.200     1.200 peak   407 spectrum    1 weight  0.10000E+01 volume  0.26436E-02 ppm1      8.689 ppm2      0.691 CV     1
 ASSI {  408}
   (( segid " 1SG" and resid 106  and name HN  ))
   (  segid " 1SG" and resid 106  and name HG1%)
      2.600     0.800     0.800 peak   408 spectrum    1 weight  0.10000E+01 volume  0.26299E-02 ppm1      8.151 ppm2      0.679 CV     1
 ASSI {  409}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 41   and name HD1 ))
      2.800     1.000     1.000 peak   409 spectrum    1 weight  0.10000E+01 volume  0.26178E-02 ppm1      9.308 ppm2      7.130 CV     1
 ASSI {  411}
   (( segid " 1SG" and resid 51   and name HN  ))
   (( segid " 1SG" and resid 51   and name HA  ))
      3.000     1.100     1.100 peak   411 spectrum    1 weight  0.10000E+01 volume  0.25725E-02 ppm1      7.877 ppm2      4.560 CV     1
 ASSI {  413}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 15   and name HG2 ))
      3.100     1.200     1.200 peak   413 spectrum    1 weight  0.10000E+01 volume  0.25635E-02 ppm1      8.506 ppm2      2.277 CV     1
 OR {  413}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 15   and name HG1 ))
 ASSI {  415}
   (( segid " 1SG" and resid 17   and name HN  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      3.100     1.200     1.200 peak   415 spectrum    1 weight  0.10000E+01 volume  0.25630E-02 ppm1      7.900 ppm2      0.602 CV     1
 ASSI {  416}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 15   and name HA  ))
      2.800     1.000     1.000 peak   416 spectrum    1 weight  0.10000E+01 volume  0.25561E-02 ppm1      8.504 ppm2      5.491 CV     1
 ASSI {  417}
   (( segid " 1SG" and resid 103  and name HD21))
   (( segid " 1SG" and resid 103  and name HB2 ))
      2.700     0.900     0.900 peak   417 spectrum    1 weight  0.10000E+01 volume  0.25530E-02 ppm1      7.721 ppm2      2.502 CV     1
 ASSI {  421}
   (( segid " 1SG" and resid 80   and name HE22))
   (( segid " 1SG" and resid 80   and name HG1 ))
      3.600     1.600     1.600 peak   421 spectrum    1 weight  0.10000E+01 volume  0.25423E-02 ppm1      6.645 ppm2      2.164 CV     1
 OR {  421}
   (( segid " 1SG" and resid 80   and name HE22))
   (( segid " 1SG" and resid 80   and name HG2 ))
 ASSI {  422}
   (( segid " 1SG" and resid 100  and name HN  ))
   (( segid " 1SG" and resid 99   and name HA  ))
      2.800     1.000     1.000 peak   422 spectrum    1 weight  0.10000E+01 volume  0.25305E-02 ppm1      8.896 ppm2      5.700 CV     1
 ASSI {  424}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 38   and name HA  ))
      2.800     1.000     1.000 peak   424 spectrum    1 weight  0.10000E+01 volume  0.25178E-02 ppm1      8.372 ppm2      3.897 CV     1
 ASSI {  425}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 53   and name HB  ))
      3.000     1.200     1.200 peak   425 spectrum    1 weight  0.10000E+01 volume  0.25096E-02 ppm1      7.785 ppm2      2.145 CV     1
 ASSI {  426}
   (( segid " 1SG" and resid 78   and name HN  ))
   (  segid " 1SG" and resid 77   and name HG2%)
      4.000     2.000     2.000 peak   426 spectrum    1 weight  0.10000E+01 volume  0.25092E-02 ppm1      8.054 ppm2      1.025 CV     1
 ASSI {  427}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 103  and name HB2 ))
      2.900     1.000     1.000 peak   427 spectrum    1 weight  0.10000E+01 volume  0.25079E-02 ppm1      9.242 ppm2      2.501 CV     1
 ASSI {  430}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 50   and name HA  ))
      3.000     1.100     1.100 peak   430 spectrum    1 weight  0.10000E+01 volume  0.24797E-02 ppm1      8.940 ppm2      3.956 CV     1
 ASSI {  431}
   (( segid " 1SG" and resid 23   and name HN  ))
   (  segid " 1SG" and resid 22   and name HD1%)
      2.900     1.000     1.000 peak   431 spectrum    1 weight  0.10000E+01 volume  0.24768E-02 ppm1      7.912 ppm2      0.534 CV     1
 ASSI {  432}
   (( segid " 1SG" and resid 30   and name HN  ))
   (( segid " 1SG" and resid 69   and name HA  ))
      2.800     1.000     1.000 peak   432 spectrum    1 weight  0.10000E+01 volume  0.24697E-02 ppm1      8.591 ppm2      4.580 CV     1
 ASSI {  433}
   (( segid " 1SG" and resid 87   and name HN  ))
   (( segid " 1SG" and resid 86   and name HA1 ))
      3.500     1.600     1.600 peak   433 spectrum    1 weight  0.10000E+01 volume  0.24594E-02 ppm1      9.115 ppm2      3.473 CV     1
 ASSI {  434}
   (( segid " 1SG" and resid 61   and name HN  ))
   (( segid " 1SG" and resid 61   and name HA  ))
      2.800     1.000     1.000 peak   434 spectrum    1 weight  0.10000E+01 volume  0.24584E-02 ppm1      8.180 ppm2      5.560 CV     1
 ASSI {  435}
   (( segid " 1SG" and resid 87   and name HN  ))
   (( segid " 1SG" and resid 86   and name HA2 ))
      2.500     0.800     0.800 peak   435 spectrum    1 weight  0.10000E+01 volume  0.24524E-02 ppm1      9.112 ppm2      4.658 CV     1
 ASSI {  437}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 13   and name HA  ))
      2.800     1.000     1.000 peak   437 spectrum    1 weight  0.10000E+01 volume  0.24467E-02 ppm1      9.242 ppm2      5.338 CV     1
 ASSI {  439}
   (( segid " 1SG" and resid 8    and name HN  ))
   (( segid " 1SG" and resid 7    and name HA  ))
      2.700     0.900     0.900 peak   439 spectrum    1 weight  0.10000E+01 volume  0.24416E-02 ppm1      9.052 ppm2      4.631 CV     1
 ASSI {  440}
   (( segid " 1SG" and resid 86   and name HN  ))
   (( segid " 1SG" and resid 86   and name HA2 ))
      2.900     1.100     1.100 peak   440 spectrum    1 weight  0.10000E+01 volume  0.24413E-02 ppm1      7.947 ppm2      4.658 CV     1
 ASSI {  443}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 77   and name HB  ))
      2.800     1.000     1.000 peak   443 spectrum    1 weight  0.10000E+01 volume  0.24131E-02 ppm1      8.053 ppm2      4.009 CV     1
 ASSI {  446}
   (( segid " 1SG" and resid 101  and name HN  ))
   (( segid " 1SG" and resid 100  and name HA  ))
      2.700     0.900     0.900 peak   446 spectrum    1 weight  0.10000E+01 volume  0.23771E-02 ppm1      9.045 ppm2      4.660 CV     1
 ASSI {  448}
   (( segid " 1SG" and resid 63   and name HN  ))
   (( segid " 1SG" and resid 62   and name HB2 ))
      3.400     1.400     1.400 peak   448 spectrum    1 weight  0.10000E+01 volume  0.23761E-02 ppm1      8.516 ppm2      3.810 CV     1
 ASSI {  449}
   (( segid " 1SG" and resid 8    and name HN  ))
   (  segid " 1SG" and resid 8    and name HG1%)
      2.800     1.000     1.000 peak   449 spectrum    1 weight  0.10000E+01 volume  0.23760E-02 ppm1      9.052 ppm2      0.947 CV     1
 OR {  449}
   (( segid " 1SG" and resid 8    and name HN  ))
   (  segid " 1SG" and resid 8    and name HG2%)
 ASSI {  450}
   (( segid " 1SG" and resid 9    and name HN  ))
   (  segid " 1SG" and resid 8    and name HG1%)
      3.600     1.600     1.600 peak   450 spectrum    1 weight  0.10000E+01 volume  0.23612E-02 ppm1      7.890 ppm2      0.950 CV     1
 OR {  450}
   (( segid " 1SG" and resid 9    and name HN  ))
   (  segid " 1SG" and resid 8    and name HG2%)
 ASSI {  453}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 52   and name HB2 ))
      2.600     0.800     0.800 peak   453 spectrum    1 weight  0.10000E+01 volume  0.23390E-02 ppm1      7.785 ppm2      1.718 CV     1
 ASSI {  454}
   (( segid " 1SG" and resid 39   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG1%)
      3.700     1.700     1.700 peak   454 spectrum    1 weight  0.10000E+01 volume  0.23347E-02 ppm1      7.892 ppm2     -0.081 CV     1
 ASSI {  456}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 37   and name HB2 ))
      3.500     1.500     1.500 peak   456 spectrum    1 weight  0.10000E+01 volume  0.23203E-02 ppm1      8.373 ppm2      1.365 CV     1
 OR {  456}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 37   and name HG2 ))
 ASSI {  458}
   (( segid " 1SG" and resid 48   and name HN  ))
   (  segid " 1SG" and resid 47   and name HG1%)
      3.300     1.400     1.400 peak   458 spectrum    1 weight  0.10000E+01 volume  0.23071E-02 ppm1      8.397 ppm2      0.978 CV     1
 ASSI {  460}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 54   and name HA1 ))
      2.800     1.000     1.000 peak   460 spectrum    1 weight  0.10000E+01 volume  0.22983E-02 ppm1      9.019 ppm2      3.910 CV     1
 ASSI {  461}
   (( segid " 1SG" and resid 93   and name HN  ))
   (  segid " 1SG" and resid 93   and name HG2%)
      3.400     1.400     1.400 peak   461 spectrum    1 weight  0.10000E+01 volume  0.22934E-02 ppm1      8.557 ppm2      1.024 CV     1
 ASSI {  463}
   (( segid " 1SG" and resid 84   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG1%)
      2.800     1.000     1.000 peak   463 spectrum    1 weight  0.10000E+01 volume  0.22542E-02 ppm1      7.866 ppm2      0.680 CV     1
 ASSI {  465}
   (( segid " 1SG" and resid 40   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG2%)
      3.900     1.900     1.900 peak   465 spectrum    1 weight  0.10000E+01 volume  0.22471E-02 ppm1      8.695 ppm2     -0.459 CV     1
 ASSI {  466}
   (( segid " 1SG" and resid 24   and name HN  ))
   (  segid " 1SG" and resid 24   and name HD% )
      3.200     1.300     1.300 peak   466 spectrum    1 weight  0.10000E+01 volume  0.22394E-02 ppm1      9.240 ppm2      6.937 CV     1
 ASSI {  468}
   (( segid " 1SG" and resid 83   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG1%)
      2.700     0.900     0.900 peak   468 spectrum    1 weight  0.10000E+01 volume  0.22373E-02 ppm1      8.255 ppm2      0.675 CV     1
 ASSI {  469}
   (( segid " 1SG" and resid 27   and name HN  ))
   (  segid " 1SG" and resid 26   and name HB% )
      3.400     1.400     1.400 peak   469 spectrum    1 weight  0.10000E+01 volume  0.22287E-02 ppm1      8.888 ppm2      1.455 CV     1
 ASSI {  470}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 47   and name HA  ))
      2.700     0.900     0.900 peak   470 spectrum    1 weight  0.10000E+01 volume  0.22252E-02 ppm1      7.291 ppm2      4.058 CV     1
 ASSI {  474}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 21   and name HB2 ))
      2.800     1.000     1.000 peak   474 spectrum    1 weight  0.10000E+01 volume  0.22175E-02 ppm1      8.888 ppm2      3.751 CV     1
 ASSI {  476}
   (( segid " 1SG" and resid 51   and name HN  ))
   (( segid " 1SG" and resid 50   and name HN  ))
      2.800     1.000     1.000 peak   476 spectrum    1 weight  0.10000E+01 volume  0.22099E-02 ppm1      7.880 ppm2      8.943 CV     1
 ASSI {  477}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 18   and name HA  ))
      3.900     1.900     1.900 peak   477 spectrum    1 weight  0.10000E+01 volume  0.22079E-02 ppm1      8.823 ppm2      3.479 CV     1
 ASSI {  479}
   (( segid " 1SG" and resid 76   and name HN  ))
   (  segid " 1SG" and resid 23   and name HG2%)
      3.500     1.600     1.600 peak   479 spectrum    1 weight  0.10000E+01 volume  0.22042E-02 ppm1      8.927 ppm2      0.780 CV     1
 ASSI {  480}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 22   and name HA  ))
      2.700     0.900     0.900 peak   480 spectrum    1 weight  0.10000E+01 volume  0.21926E-02 ppm1      8.888 ppm2      4.342 CV     1
 ASSI {  482}
   (( segid " 1SG" and resid 49   and name HN  ))
   (  segid " 1SG" and resid 49   and name HD1%)
      2.900     1.100     1.100 peak   482 spectrum    1 weight  0.10000E+01 volume  0.21869E-02 ppm1      9.288 ppm2      1.750 CV     1
 ASSI {  483}
   (( segid " 1SG" and resid 30   and name HN  ))
   (( segid " 1SG" and resid 30   and name HA1 ))
      2.800     1.000     1.000 peak   483 spectrum    1 weight  0.10000E+01 volume  0.21797E-02 ppm1      8.591 ppm2      3.945 CV     1
 ASSI {  484}
   (( segid " 1SG" and resid 18   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.000     1.100     1.100 peak   484 spectrum    1 weight  0.10000E+01 volume  0.21577E-02 ppm1      8.006 ppm2      0.372 CV     1
 ASSI {  487}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 69   and name HB  ))
      3.000     3.000     3.000 peak   487 spectrum    1 weight  0.10000E+01 volume  0.21338E-02 ppm1      8.723 ppm2      1.750 CV     1
 ASSI {  489}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 97   and name HB2 ))
      3.100     1.200     1.200 peak   489 spectrum    1 weight  0.10000E+01 volume  0.21290E-02 ppm1      8.062 ppm2      2.677 CV     1
 ASSI {  490}
   (( segid " 1SG" and resid 83   and name HN  ))
   (  segid " 1SG" and resid 83   and name HD% )
      3.700     1.700     1.700 peak   490 spectrum    1 weight  0.10000E+01 volume  0.21288E-02 ppm1      8.256 ppm2      7.116 CV     1
 ASSI {  493}
   (( segid " 1SG" and resid 23   and name HN  ))
   (( segid " 1SG" and resid 22   and name HB  ))
      3.900     1.900     1.900 peak   493 spectrum    1 weight  0.10000E+01 volume  0.21212E-02 ppm1      7.914 ppm2      1.515 CV     1
 ASSI {  495}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 44   and name HA2 ))
      2.900     1.100     1.100 peak   495 spectrum    1 weight  0.10000E+01 volume  0.21099E-02 ppm1      8.211 ppm2      3.816 CV     1
 ASSI {  498}
   (( segid " 1SG" and resid 52   and name HN  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      3.300     1.300     1.300 peak   498 spectrum    1 weight  0.10000E+01 volume  0.21012E-02 ppm1      7.782 ppm2      1.075 CV     1
 ASSI {  500}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 66   and name HA  ))
      3.100     1.200     1.200 peak   500 spectrum    1 weight  0.10000E+01 volume  0.20975E-02 ppm1      7.422 ppm2      4.123 CV     1
 ASSI {  501}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 106  and name HB  ))
      3.000     1.100     1.100 peak   501 spectrum    1 weight  0.10000E+01 volume  0.20943E-02 ppm1      8.151 ppm2      1.850 CV     1
 ASSI {  502}
   (( segid " 1SG" and resid 30   and name HN  ))
   (  segid " 1SG" and resid 69   and name HG1%)
      3.700     1.700     1.700 peak   502 spectrum    1 weight  0.10000E+01 volume  0.20869E-02 ppm1      8.591 ppm2      0.849 CV     1
 OR {  502}
   (( segid " 1SG" and resid 30   and name HN  ))
   (  segid " 1SG" and resid 69   and name HG2%)
 ASSI {  503}
   (( segid " 1SG" and resid 87   and name HN  ))
   (  segid " 1SG" and resid 87   and name HD% )
      2.500     0.800     0.800 peak   503 spectrum    1 weight  0.10000E+01 volume  0.20721E-02 ppm1      9.115 ppm2      6.800 CV     1
 ASSI {  504}
   (( segid " 1SG" and resid 61   and name HN  ))
   (( segid " 1SG" and resid 60   and name HB2 ))
      3.600     1.600     1.600 peak   504 spectrum    1 weight  0.10000E+01 volume  0.20643E-02 ppm1      8.180 ppm2      2.991 CV     1
 ASSI {  506}
   (( segid " 1SG" and resid 82   and name HN  ))
   (  segid " 1SG" and resid 82   and name HB% )
      3.100     1.200     1.200 peak   506 spectrum    1 weight  0.10000E+01 volume  0.20496E-02 ppm1      8.017 ppm2      1.312 CV     1
 ASSI {  508}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 96   and name HB2 ))
      3.800     1.800     1.800 peak   508 spectrum    1 weight  0.10000E+01 volume  0.20412E-02 ppm1      8.059 ppm2      1.560 CV     1
 ASSI {  509}
   (( segid " 1SG" and resid 80   and name HE21))
   (( segid " 1SG" and resid 80   and name HB1 ))
      3.000     1.100     1.100 peak   509 spectrum    1 weight  0.10000E+01 volume  0.20379E-02 ppm1      6.985 ppm2      1.949 CV     1
 OR {  509}
   (( segid " 1SG" and resid 80   and name HE21))
   (( segid " 1SG" and resid 80   and name HB2 ))
 ASSI {  510}
   (( segid " 1SG" and resid 85   and name HN  ))
   (( segid " 1SG" and resid 85   and name HA1 ))
      2.800     1.000     1.000 peak   510 spectrum    1 weight  0.10000E+01 volume  0.20286E-02 ppm1      9.407 ppm2      3.930 CV     1
 ASSI {  511}
   (( segid " 1SG" and resid 12   and name HN  ))
   (( segid " 1SG" and resid 12   and name HB2 ))
      3.000     1.100     1.100 peak   511 spectrum    1 weight  0.10000E+01 volume  0.20181E-02 ppm1      8.347 ppm2      1.969 CV     1
 ASSI {  512}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 102  and name HB2 ))
      3.500     1.500     1.500 peak   512 spectrum    1 weight  0.10000E+01 volume  0.20181E-02 ppm1      9.242 ppm2      2.724 CV     1
 ASSI {  515}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 20   and name HN  ))
      3.200     1.200     1.200 peak   515 spectrum    1 weight  0.10000E+01 volume  0.20110E-02 ppm1      8.972 ppm2      8.828 CV     1
 ASSI {  516}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 8    and name HB  ))
      2.900     1.100     1.100 peak   516 spectrum    1 weight  0.10000E+01 volume  0.20022E-02 ppm1      7.887 ppm2      1.807 CV     1
 ASSI {  518}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 87   and name HA  ))
      2.800     1.000     1.000 peak   518 spectrum    1 weight  0.10000E+01 volume  0.19957E-02 ppm1      9.108 ppm2      4.962 CV     1
 ASSI {  522}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB1 ))
      3.600     1.600     1.600 peak   522 spectrum    1 weight  0.10000E+01 volume  0.19799E-02 ppm1      8.381 ppm2      2.395 CV     1
 OR {  522}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB2 ))
 ASSI {  526}
   (( segid " 1SG" and resid 29   and name HN  ))
   (( segid " 1SG" and resid 29   and name HA  ))
      2.900     1.000     1.000 peak   526 spectrum    1 weight  0.10000E+01 volume  0.19416E-02 ppm1      8.854 ppm2      4.390 CV     1
 ASSI {  527}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 49   and name HG  ))
      3.100     1.200     1.200 peak   527 spectrum    1 weight  0.10000E+01 volume  0.19337E-02 ppm1      9.289 ppm2      0.785 CV     1
 ASSI {  530}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 54   and name HA2 ))
      3.300     1.400     1.400 peak   530 spectrum    1 weight  0.10000E+01 volume  0.19205E-02 ppm1      9.019 ppm2      4.291 CV     1
 ASSI {  531}
   (( segid " 1SG" and resid 19   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      3.300     1.400     1.400 peak   531 spectrum    1 weight  0.10000E+01 volume  0.19071E-02 ppm1      9.828 ppm2      1.174 CV     1
 ASSI {  532}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 60   and name HB2 ))
      3.000     1.100     1.100 peak   532 spectrum    1 weight  0.10000E+01 volume  0.19053E-02 ppm1      8.687 ppm2      2.990 CV     1
 ASSI {  533}
   (( segid " 1SG" and resid 5    and name HN  ))
   (( segid " 1SG" and resid 4    and name HB  ))
      2.700     0.900     0.900 peak   533 spectrum    1 weight  0.10000E+01 volume  0.18965E-02 ppm1      8.144 ppm2      2.029 CV     1
 ASSI {  534}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 71   and name HN  ))
      2.900     1.100     1.100 peak   534 spectrum    1 weight  0.10000E+01 volume  0.18948E-02 ppm1      8.848 ppm2      8.722 CV     1
 ASSI {  535}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 105  and name HB  ))
      2.900     1.100     1.100 peak   535 spectrum    1 weight  0.10000E+01 volume  0.18858E-02 ppm1      8.398 ppm2      3.929 CV     1
 ASSI {  537}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 58   and name HA  ))
      2.800     1.000     1.000 peak   537 spectrum    1 weight  0.10000E+01 volume  0.18838E-02 ppm1      8.940 ppm2      4.631 CV     1
 ASSI {  539}
   (( segid " 1SG" and resid 28   and name HN  ))
   (  segid " 1SG" and resid 28   and name HG2%)
      3.000     1.100     1.100 peak   539 spectrum    1 weight  0.10000E+01 volume  0.18772E-02 ppm1      9.673 ppm2      0.631 CV     1
 ASSI {  540}
   (( segid " 1SG" and resid 48   and name HN  ))
   (( segid " 1SG" and resid 48   and name HA  ))
      3.000     1.100     1.100 peak   540 spectrum    1 weight  0.10000E+01 volume  0.18707E-02 ppm1      8.396 ppm2      4.191 CV     1
 ASSI {  541}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 40   and name HB2 ))
      3.700     1.700     1.700 peak   541 spectrum    1 weight  0.10000E+01 volume  0.18692E-02 ppm1      8.694 ppm2      1.340 CV     1
 ASSI {  542}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 59   and name HA  ))
      2.800     1.000     1.000 peak   542 spectrum    1 weight  0.10000E+01 volume  0.18677E-02 ppm1      8.380 ppm2      5.185 CV     1
 ASSI {  544}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 16   and name HN  ))
      3.200     1.300     1.300 peak   544 spectrum    1 weight  0.10000E+01 volume  0.18572E-02 ppm1      8.823 ppm2      8.584 CV     1
 ASSI {  545}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 93   and name HN  ))
      2.900     1.000     1.000 peak   545 spectrum    1 weight  0.10000E+01 volume  0.18559E-02 ppm1      7.548 ppm2      8.557 CV     1
 ASSI {  546}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 71   and name HB2 ))
      3.300     1.400     1.400 peak   546 spectrum    1 weight  0.10000E+01 volume  0.18508E-02 ppm1      8.723 ppm2      1.271 CV     1
 ASSI {  548}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 58   and name HG2 ))
      4.400     2.500     1.600 peak   548 spectrum    1 weight  0.10000E+01 volume  0.18442E-02 ppm1      8.378 ppm2      1.797 CV     1
 ASSI {  549}
   (( segid " 1SG" and resid 91   and name HN  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      3.300     1.400     1.400 peak   549 spectrum    1 weight  0.10000E+01 volume  0.18442E-02 ppm1      8.474 ppm2      0.179 CV     1
 ASSI {  550}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 14   and name HA2 ))
      2.900     1.000     1.000 peak   550 spectrum    1 weight  0.10000E+01 volume  0.18399E-02 ppm1      9.184 ppm2      4.939 CV     1
 ASSI {  551}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 40   and name HB2 ))
      3.400     1.400     1.400 peak   551 spectrum    1 weight  0.10000E+01 volume  0.18364E-02 ppm1      9.309 ppm2      1.344 CV     1
 ASSI {  554}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 88   and name HA  ))
      2.900     1.000     1.000 peak   554 spectrum    1 weight  0.10000E+01 volume  0.18276E-02 ppm1      8.977 ppm2      5.305 CV     1
 ASSI {  555}
   (( segid " 1SG" and resid 59   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD1%)
      3.800     1.800     1.800 peak   555 spectrum    1 weight  0.10000E+01 volume  0.18240E-02 ppm1      8.380 ppm2      0.859 CV     1
 ASSI {  558}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 49   and name HN  ))
      2.900     1.100     1.100 peak   558 spectrum    1 weight  0.10000E+01 volume  0.18081E-02 ppm1      8.941 ppm2      9.293 CV     1
 ASSI {  559}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 47   and name HB  ))
      3.500     1.500     1.500 peak   559 spectrum    1 weight  0.10000E+01 volume  0.18060E-02 ppm1      8.633 ppm2      2.501 CV     1
 ASSI {  560}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 92   and name HB2 ))
      3.200     1.300     1.300 peak   560 spectrum    1 weight  0.10000E+01 volume  0.18005E-02 ppm1      8.734 ppm2      3.936 CV     1
 OR {  560}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 92   and name HB1 ))
 ASSI {  561}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 96   and name HB2 ))
      2.600     0.800     0.800 peak   561 spectrum    1 weight  0.10000E+01 volume  0.17953E-02 ppm1      7.548 ppm2      1.566 CV     1
 ASSI {  563}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 64   and name HA  ))
      3.900     1.900     1.900 peak   563 spectrum    1 weight  0.10000E+01 volume  0.17859E-02 ppm1      8.107 ppm2      4.573 CV     1
 ASSI {  564}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 39   and name HA  ))
      2.900     1.000     1.000 peak   564 spectrum    1 weight  0.10000E+01 volume  0.17831E-02 ppm1      7.892 ppm2      4.799 CV     1
 ASSI {  565}
   (( segid " 1SG" and resid 72   and name HN  ))
   (  segid " 1SG" and resid 72   and name HD% )
      2.800     1.000     1.000 peak   565 spectrum    1 weight  0.10000E+01 volume  0.17820E-02 ppm1      9.296 ppm2      7.306 CV     1
 ASSI {  566}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 14   and name HA1 ))
      3.100     1.200     1.200 peak   566 spectrum    1 weight  0.10000E+01 volume  0.17734E-02 ppm1      9.184 ppm2      3.743 CV     1
 ASSI {  567}
   (( segid " 1SG" and resid 77   and name HN  ))
   (( segid " 1SG" and resid 77   and name HA  ))
      2.800     1.000     1.000 peak   567 spectrum    1 weight  0.10000E+01 volume  0.17732E-02 ppm1      8.715 ppm2      4.655 CV     1
 ASSI {  570}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 87   and name HA  ))
      3.200     1.300     1.300 peak   570 spectrum    1 weight  0.10000E+01 volume  0.17458E-02 ppm1      8.211 ppm2      4.972 CV     1
 ASSI {  571}
   (( segid " 1SG" and resid 30   and name HN  ))
   (( segid " 1SG" and resid 30   and name HA2 ))
      3.200     1.300     1.300 peak   571 spectrum    1 weight  0.10000E+01 volume  0.17438E-02 ppm1      8.590 ppm2      4.673 CV     1
 ASSI {  573}
   (( segid " 1SG" and resid 108  and name HN  ))
   (  segid " 1SG" and resid 18   and name HG2%)
      3.500     1.500     1.500 peak   573 spectrum    1 weight  0.10000E+01 volume  0.17219E-02 ppm1      8.565 ppm2      0.943 CV     1
 ASSI {  574}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 13   and name HB2 ))
      2.600     0.800     0.800 peak   574 spectrum    1 weight  0.10000E+01 volume  0.17204E-02 ppm1      9.184 ppm2      2.684 CV     1
 ASSI {  575}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 75   and name HB2 ))
      3.100     1.200     1.200 peak   575 spectrum    1 weight  0.10000E+01 volume  0.17199E-02 ppm1      8.941 ppm2      2.888 CV     1
 OR {  575}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 75   and name HB1 ))
 ASSI {  576}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 77   and name HA  ))
      2.900     1.100     1.100 peak   576 spectrum    1 weight  0.10000E+01 volume  0.17109E-02 ppm1      8.887 ppm2      4.655 CV     1
 ASSI {  578}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 40   and name HA  ))
      2.900     1.000     1.000 peak   578 spectrum    1 weight  0.10000E+01 volume  0.17104E-02 ppm1      8.696 ppm2      4.547 CV     1
 ASSI {  579}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 65   and name HA  ))
      3.200     1.300     1.300 peak   579 spectrum    1 weight  0.10000E+01 volume  0.17085E-02 ppm1      8.106 ppm2      3.452 CV     1
 ASSI {  581}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 84   and name HA  ))
      3.000     1.100     1.100 peak   581 spectrum    1 weight  0.10000E+01 volume  0.16913E-02 ppm1      8.151 ppm2      4.228 CV     1
 OR {  581}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 84   and name HB  ))
 ASSI {  582}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 56   and name HN  ))
      2.900     1.100     1.100 peak   582 spectrum    1 weight  0.10000E+01 volume  0.16911E-02 ppm1      7.199 ppm2      8.391 CV     1
 ASSI {  584}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 96   and name HG1 ))
      4.000     2.000     2.000 peak   584 spectrum    1 weight  0.10000E+01 volume  0.16897E-02 ppm1      8.062 ppm2      1.318 CV     1
 OR {  584}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 96   and name HG2 ))
 ASSI {  585}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HB2 ))
      3.000     1.100     1.100 peak   585 spectrum    1 weight  0.10000E+01 volume  0.16874E-02 ppm1      8.888 ppm2      1.573 CV     1
 OR {  585}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HB1 ))
 ASSI {  586}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 27   and name HN  ))
      3.200     1.200     1.200 peak   586 spectrum    1 weight  0.10000E+01 volume  0.16856E-02 ppm1      7.890 ppm2      8.886 CV     1
 ASSI {  587}
   (( segid " 1SG" and resid 79   and name HN  ))
   (  segid " 1SG" and resid 76   and name HG2%)
      3.400     1.400     1.400 peak   587 spectrum    1 weight  0.10000E+01 volume  0.16806E-02 ppm1      8.974 ppm2      0.787 CV     1
 ASSI {  590}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 53   and name HA  ))
      3.700     1.700     1.700 peak   590 spectrum    1 weight  0.10000E+01 volume  0.16591E-02 ppm1      7.198 ppm2      4.042 CV     1
 ASSI {  592}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 94   and name HA  ))
      3.100     1.200     1.200 peak   592 spectrum    1 weight  0.10000E+01 volume  0.16563E-02 ppm1      7.971 ppm2      4.045 CV     1
 ASSI {  593}
   (( segid " 1SG" and resid 63   and name HN  ))
   (( segid " 1SG" and resid 63   and name HB2 ))
      3.600     1.600     1.600 peak   593 spectrum    1 weight  0.10000E+01 volume  0.16553E-02 ppm1      8.518 ppm2      2.529 CV     1
 ASSI {  595}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 76   and name HB  ))
      3.400     1.400     1.400 peak   595 spectrum    1 weight  0.10000E+01 volume  0.16442E-02 ppm1      8.888 ppm2      1.901 CV     1
 ASSI {  596}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 104  and name HA  ))
      2.900     1.100     1.100 peak   596 spectrum    1 weight  0.10000E+01 volume  0.16423E-02 ppm1      9.184 ppm2      5.418 CV     1
 ASSI {  597}
   (( segid " 1SG" and resid 18   and name HN  ))
   (( segid " 1SG" and resid 108  and name HA  ))
      3.100     1.200     1.200 peak   597 spectrum    1 weight  0.10000E+01 volume  0.16423E-02 ppm1      8.006 ppm2      4.146 CV     1
 ASSI {  599}
   (( segid " 1SG" and resid 80   and name HN  ))
   (( segid " 1SG" and resid 79   and name HA  ))
      2.900     1.000     1.000 peak   599 spectrum    1 weight  0.10000E+01 volume  0.16289E-02 ppm1      5.579 ppm2      3.659 CV     1
 ASSI {  601}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      4.000     2.000     2.000 peak   601 spectrum    1 weight  0.10000E+01 volume  0.16178E-02 ppm1      9.018 ppm2      1.461 CV     1
 ASSI {  603}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 38   and name HN  ))
      3.000     1.100     1.100 peak   603 spectrum    1 weight  0.10000E+01 volume  0.16095E-02 ppm1      8.735 ppm2      8.378 CV     1
 ASSI {  604}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 46   and name HN  ))
      2.500     0.800     0.800 peak   604 spectrum    1 weight  0.10000E+01 volume  0.16079E-02 ppm1      7.293 ppm2      8.221 CV     1
 ASSI {  608}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 78   and name HB2 ))
      3.200     1.300     1.300 peak   608 spectrum    1 weight  0.10000E+01 volume  0.15934E-02 ppm1      8.054 ppm2      2.374 CV     1
 ASSI {  611}
   (( segid " 1SG" and resid 23   and name HN  ))
   (  segid " 1SG" and resid 23   and name HG2%)
      3.900     1.900     1.900 peak   611 spectrum    1 weight  0.10000E+01 volume  0.15858E-02 ppm1      7.914 ppm2      0.771 CV     1
 ASSI {  612}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 28   and name HB  ))
      3.100     1.200     1.200 peak   612 spectrum    1 weight  0.10000E+01 volume  0.15787E-02 ppm1      9.674 ppm2      1.955 CV     1
 ASSI {  613}
   (( segid " 1SG" and resid 107  and name HN  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      3.600     1.600     1.600 peak   613 spectrum    1 weight  0.10000E+01 volume  0.15767E-02 ppm1      8.823 ppm2      0.606 CV     1
 ASSI {  614}
   (( segid " 1SG" and resid 17   and name HN  ))
   (( segid " 1SG" and resid 18   and name HN  ))
      3.700     1.700     1.700 peak   614 spectrum    1 weight  0.10000E+01 volume  0.15713E-02 ppm1      7.899 ppm2      7.995 CV     1
 ASSI {  620}
   (( segid " 1SG" and resid 107  and name HN  ))
   (  segid " 1SG" and resid 106  and name HG1%)
      4.000     2.000     2.000 peak   620 spectrum    1 weight  0.10000E+01 volume  0.15314E-02 ppm1      8.823 ppm2      0.675 CV     1
 ASSI {  622}
   (( segid " 1SG" and resid 61   and name HN  ))
   (( segid " 1SG" and resid 61   and name HB2 ))
      3.400     1.400     1.400 peak   622 spectrum    1 weight  0.10000E+01 volume  0.15212E-02 ppm1      8.177 ppm2      2.298 CV     1
 ASSI {  623}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 58   and name HG2 ))
      3.600     1.700     1.700 peak   623 spectrum    1 weight  0.10000E+01 volume  0.15207E-02 ppm1      8.941 ppm2      1.805 CV     1
 ASSI {  626}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 92   and name HA  ))
      3.100     1.200     1.200 peak   626 spectrum    1 weight  0.10000E+01 volume  0.15172E-02 ppm1      8.735 ppm2      5.242 CV     1
 ASSI {  630}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 16   and name HB  ))
      3.600     1.600     1.600 peak   630 spectrum    1 weight  0.10000E+01 volume  0.15019E-02 ppm1      8.594 ppm2      1.795 CV     1
 ASSI {  631}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 97   and name HA  ))
      3.200     1.300     1.300 peak   631 spectrum    1 weight  0.10000E+01 volume  0.15018E-02 ppm1      8.062 ppm2      5.253 CV     1
 ASSI {  635}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB2 ))
      3.100     1.200     1.200 peak   635 spectrum    1 weight  0.10000E+01 volume  0.14933E-02 ppm1      8.944 ppm2      2.395 CV     1
 OR {  635}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB1 ))
 ASSI {  636}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 25   and name HB2 ))
      3.300     1.400     1.400 peak   636 spectrum    1 weight  0.10000E+01 volume  0.14875E-02 ppm1      8.404 ppm2      3.599 CV     1
 ASSI {  637}
   (( segid " 1SG" and resid 7    and name HN  ))
   (  segid " 1SG" and resid 7    and name HD% )
      3.900     1.900     1.900 peak   637 spectrum    1 weight  0.10000E+01 volume  0.14833E-02 ppm1      8.878 ppm2      7.307 CV     1
 ASSI {  638}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 75   and name HA  ))
      3.100     1.200     1.200 peak   638 spectrum    1 weight  0.10000E+01 volume  0.14816E-02 ppm1      9.154 ppm2      5.086 CV     1
 ASSI {  642}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 35   and name HD1 ))
      3.400     1.400     1.400 peak   642 spectrum    1 weight  0.10000E+01 volume  0.14694E-02 ppm1      8.373 ppm2      1.622 CV     1
 OR {  642}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 35   and name HD2 ))
 ASSI {  643}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 75   and name HN  ))
      2.900     1.100     1.100 peak   643 spectrum    1 weight  0.10000E+01 volume  0.14682E-02 ppm1      8.939 ppm2      9.154 CV     1
 ASSI {  644}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 19   and name HN  ))
      3.200     1.200     1.200 peak   644 spectrum    1 weight  0.10000E+01 volume  0.14520E-02 ppm1      8.973 ppm2      9.828 CV     1
 ASSI {  645}
   (( segid " 1SG" and resid 59   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD2%)
      3.800     1.800     1.800 peak   645 spectrum    1 weight  0.10000E+01 volume  0.14491E-02 ppm1      8.381 ppm2      0.692 CV     1
 ASSI {  646}
   (( segid " 1SG" and resid 5    and name HN  ))
   (( segid " 1SG" and resid 4    and name HA  ))
      3.400     1.500     1.500 peak   646 spectrum    1 weight  0.10000E+01 volume  0.14461E-02 ppm1      8.144 ppm2      4.009 CV     1
 ASSI {  647}
   (( segid " 1SG" and resid 77   and name HN  ))
   (( segid " 1SG" and resid 57   and name HA  ))
      3.900     1.900     1.900 peak   647 spectrum    1 weight  0.10000E+01 volume  0.14449E-02 ppm1      8.715 ppm2      5.396 CV     1
 ASSI {  649}
   (( segid " 1SG" and resid 80   and name HE22))
   (( segid " 1SG" and resid 80   and name HB1 ))
      4.000     2.000     2.000 peak   649 spectrum    1 weight  0.10000E+01 volume  0.14391E-02 ppm1      6.645 ppm2      1.953 CV     1
 OR {  649}
   (( segid " 1SG" and resid 80   and name HE22))
   (( segid " 1SG" and resid 80   and name HB2 ))
 ASSI {  651}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 94   and name HB2 ))
      2.900     1.000     1.000 peak   651 spectrum    1 weight  0.10000E+01 volume  0.14286E-02 ppm1      7.971 ppm2      1.782 CV     1
 ASSI {  652}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 11   and name HA  ))
      3.600     1.600     1.600 peak   652 spectrum    1 weight  0.10000E+01 volume  0.14226E-02 ppm1      8.398 ppm2      4.795 CV     1
 ASSI {  653}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 64   and name HB2 ))
      4.000     2.000     2.000 peak   653 spectrum    1 weight  0.10000E+01 volume  0.14187E-02 ppm1      6.898 ppm2      2.337 CV     1
 ASSI {  654}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 59   and name HG  ))
      4.200     2.200     1.800 peak   654 spectrum    1 weight  0.10000E+01 volume  0.14170E-02 ppm1      8.699 ppm2      1.425 CV     1
 ASSI {  655}
   (( segid " 1SG" and resid 7    and name HN  ))
   (( segid " 1SG" and resid 6    and name HG  ))
      3.700     1.700     1.700 peak   655 spectrum    1 weight  0.10000E+01 volume  0.14156E-02 ppm1      8.878 ppm2      1.313 CV     1
 ASSI {  656}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 68   and name HA  ))
      4.500     2.500     1.500 peak   656 spectrum    1 weight  0.10000E+01 volume  0.14132E-02 ppm1      7.420 ppm2      3.594 CV     1
 ASSI {  658}
   (( segid " 1SG" and resid 26   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD1%)
      3.200     1.300     1.300 peak   658 spectrum    1 weight  0.10000E+01 volume  0.14123E-02 ppm1      9.497 ppm2      0.841 CV     1
 ASSI {  659}
   (( segid " 1SG" and resid 103  and name HD22))
   (( segid " 1SG" and resid 103  and name HB2 ))
      4.200     2.200     1.800 peak   659 spectrum    1 weight  0.10000E+01 volume  0.14101E-02 ppm1      6.747 ppm2      2.501 CV     1
 ASSI {  660}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 24   and name HB2 ))
      3.800     1.800     1.800 peak   660 spectrum    1 weight  0.10000E+01 volume  0.14094E-02 ppm1      8.399 ppm2      2.394 CV     1
 ASSI {  661}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 45   and name HD1 ))
      3.600     1.600     1.600 peak   661 spectrum    1 weight  0.10000E+01 volume  0.14064E-02 ppm1     10.113 ppm2      1.215 CV     1
 OR {  661}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 45   and name HD2 ))
 ASSI {  662}
   (( segid " 1SG" and resid 34   and name HN  ))
   (( segid " 1SG" and resid 93   and name HA  ))
      3.800     3.800     2.200 peak   662 spectrum    1 weight  0.10000E+01 volume  0.14022E-02 ppm1      8.673 ppm2      4.763 CV     1
 ASSI {  663}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 73   and name HN  ))
      3.100     1.200     1.200 peak   663 spectrum    1 weight  0.10000E+01 volume  0.13998E-02 ppm1      8.686 ppm2      9.449 CV     1
 ASSI {  664}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 61   and name HA  ))
      3.600     1.600     1.600 peak   664 spectrum    1 weight  0.10000E+01 volume  0.13991E-02 ppm1      9.450 ppm2      5.557 CV     1
 ASSI {  665}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 24   and name HA  ))
      3.100     1.200     1.200 peak   665 spectrum    1 weight  0.10000E+01 volume  0.13990E-02 ppm1      9.240 ppm2      4.615 CV     1
 ASSI {  666}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 27   and name HB1 ))
      3.300     1.400     1.400 peak   666 spectrum    1 weight  0.10000E+01 volume  0.13874E-02 ppm1      9.672 ppm2      1.578 CV     1
 OR {  666}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 27   and name HB2 ))
 ASSI {  667}
   (( segid " 1SG" and resid 104  and name HN  ))
   (  segid " 1SG" and resid 87   and name HD% )
      3.400     1.500     1.500 peak   667 spectrum    1 weight  0.10000E+01 volume  0.13862E-02 ppm1      8.792 ppm2      6.806 CV     1
 ASSI {  668}
   (( segid " 1SG" and resid 26   and name HN  ))
   (( segid " 1SG" and resid 25   and name HB2 ))
      3.800     1.800     1.800 peak   668 spectrum    1 weight  0.10000E+01 volume  0.13820E-02 ppm1      9.497 ppm2      3.598 CV     1
 ASSI {  669}
   (( segid " 1SG" and resid 58   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
      3.100     1.200     1.200 peak   669 spectrum    1 weight  0.10000E+01 volume  0.13817E-02 ppm1      8.941 ppm2      0.604 CV     1
 OR {  669}
   (( segid " 1SG" and resid 58   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI {  670}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 3    and name HD1 ))
      4.000     2.000     2.000 peak   670 spectrum    1 weight  0.10000E+01 volume  0.13740E-02 ppm1      8.118 ppm2      3.845 CV     1
 OR {  670}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 3    and name HD2 ))
 ASSI {  672}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 93   and name HA  ))
      3.400     1.500     1.500 peak   672 spectrum    1 weight  0.10000E+01 volume  0.13703E-02 ppm1      8.375 ppm2      4.772 CV     1
 ASSI {  673}
   (( segid " 1SG" and resid 25   and name HN  ))
   (  segid " 1SG" and resid 24   and name HD% )
      3.900     1.900     1.900 peak   673 spectrum    1 weight  0.10000E+01 volume  0.13687E-02 ppm1      8.400 ppm2      6.932 CV     1
 ASSI {  676}
   (( segid " 1SG" and resid 68   and name HN  ))
   (( segid " 1SG" and resid 67   and name HA  ))
      3.300     1.400     1.400 peak   676 spectrum    1 weight  0.10000E+01 volume  0.13624E-02 ppm1      7.874 ppm2      4.297 CV     1
 ASSI {  677}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 49   and name HG  ))
      4.000     2.000     2.000 peak   677 spectrum    1 weight  0.10000E+01 volume  0.13619E-02 ppm1      7.782 ppm2      0.776 CV     1
 ASSI {  678}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 107  and name HD2 ))
      3.300     1.300     1.300 peak   678 spectrum    1 weight  0.10000E+01 volume  0.13603E-02 ppm1      8.821 ppm2      6.922 CV     1
 ASSI {  679}
   (( segid " 1SG" and resid 8    and name HN  ))
   (( segid " 1SG" and resid 8    and name HB  ))
      3.200     1.300     1.300 peak   679 spectrum    1 weight  0.10000E+01 volume  0.13570E-02 ppm1      9.052 ppm2      1.821 CV     1
 ASSI {  680}
   (( segid " 1SG" and resid 77   and name HN  ))
   (( segid " 1SG" and resid 77   and name HB  ))
      3.600     1.600     1.600 peak   680 spectrum    1 weight  0.10000E+01 volume  0.13562E-02 ppm1      8.717 ppm2      4.008 CV     1
 ASSI {  681}
   (( segid " 1SG" and resid 23   and name HN  ))
   (( segid " 1SG" and resid 23   and name HA  ))
      3.100     1.200     1.200 peak   681 spectrum    1 weight  0.10000E+01 volume  0.13541E-02 ppm1      7.913 ppm2      5.100 CV     1
 ASSI {  682}
   (( segid " 1SG" and resid 100  and name HN  ))
   (( segid " 1SG" and resid 90   and name HA  ))
      3.700     1.700     1.700 peak   682 spectrum    1 weight  0.10000E+01 volume  0.13528E-02 ppm1      8.897 ppm2      4.788 CV     1
 ASSI {  683}
   (( segid " 1SG" and resid 76   and name HN  ))
   (( segid " 1SG" and resid 75   and name HB1 ))
      4.000     2.000     2.000 peak   683 spectrum    1 weight  0.10000E+01 volume  0.13511E-02 ppm1      8.925 ppm2      2.891 CV     1
 OR {  683}
   (( segid " 1SG" and resid 76   and name HN  ))
   (( segid " 1SG" and resid 75   and name HB2 ))
 ASSI {  684}
   (( segid " 1SG" and resid 102  and name HN  ))
   (( segid " 1SG" and resid 102  and name HA  ))
      3.200     1.300     1.300 peak   684 spectrum    1 weight  0.10000E+01 volume  0.13499E-02 ppm1      8.557 ppm2      4.989 CV     1
 ASSI {  686}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 49   and name HB2 ))
      3.800     1.800     1.800 peak   686 spectrum    1 weight  0.10000E+01 volume  0.13482E-02 ppm1      7.786 ppm2      1.548 CV     1
 ASSI {  690}
   (( segid " 1SG" and resid 64   and name HN  ))
   (( segid " 1SG" and resid 69   and name HN  ))
      3.200     1.300     1.300 peak   690 spectrum    1 weight  0.10000E+01 volume  0.13376E-02 ppm1      7.751 ppm2      6.898 CV     1
 ASSI {  691}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 33   and name HA  ))
      4.300     2.300     1.700 peak   691 spectrum    1 weight  0.10000E+01 volume  0.13369E-02 ppm1      7.509 ppm2      4.450 CV     1
 ASSI {  694}
   (( segid " 1SG" and resid 74   and name HN  ))
   (  segid " 1SG" and resid 23   and name HG2%)
      3.400     1.500     1.500 peak   694 spectrum    1 weight  0.10000E+01 volume  0.13311E-02 ppm1      8.470 ppm2      0.765 CV     1
 ASSI {  696}
   (( segid " 1SG" and resid 68   and name HN  ))
   (( segid " 1SG" and resid 65   and name HA  ))
      3.100     1.200     1.200 peak   696 spectrum    1 weight  0.10000E+01 volume  0.13251E-02 ppm1      7.878 ppm2      3.451 CV     1
 ASSI {  698}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 45   and name HB2 ))
      3.200     1.300     1.300 peak   698 spectrum    1 weight  0.10000E+01 volume  0.13169E-02 ppm1     10.115 ppm2      0.595 CV     1
 ASSI {  699}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 38   and name HB  ))
      4.100     2.100     1.900 peak   699 spectrum    1 weight  0.10000E+01 volume  0.13136E-02 ppm1      7.893 ppm2      1.891 CV     1
 ASSI {  700}
   (( segid " 1SG" and resid 26   and name HN  ))
   (( segid " 1SG" and resid 26   and name HA  ))
      3.100     1.200     1.200 peak   700 spectrum    1 weight  0.10000E+01 volume  0.13107E-02 ppm1      9.494 ppm2      4.916 CV     1
 ASSI {  701}
   (( segid " 1SG" and resid 106  and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      4.100     2.100     1.900 peak   701 spectrum    1 weight  0.10000E+01 volume  0.13102E-02 ppm1      8.148 ppm2      0.372 CV     1
 ASSI {  702}
   (( segid " 1SG" and resid 50   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD1%)
      3.500     1.600     1.600 peak   702 spectrum    1 weight  0.10000E+01 volume  0.13100E-02 ppm1      8.941 ppm2      0.855 CV     1
 ASSI {  703}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 21   and name HA  ))
      2.700     0.900     0.900 peak   703 spectrum    1 weight  0.10000E+01 volume  0.13099E-02 ppm1      8.053 ppm2      5.494 CV     1
 ASSI {  704}
   (( segid " 1SG" and resid 38   and name HN  ))
   (  segid " 1SG" and resid 93   and name HG2%)
      4.200     2.200     1.800 peak   704 spectrum    1 weight  0.10000E+01 volume  0.13079E-02 ppm1      8.372 ppm2      1.022 CV     1
 ASSI {  706}
   (( segid " 1SG" and resid 87   and name HN  ))
   (( segid " 1SG" and resid 103  and name HA  ))
      3.200     1.300     1.300 peak   706 spectrum    1 weight  0.10000E+01 volume  0.13059E-02 ppm1      9.115 ppm2      5.535 CV     1
 ASSI {  707}
   (( segid " 1SG" and resid 33   and name HN  ))
   (( segid " 1SG" and resid 33   and name HB2 ))
      3.800     1.800     1.800 peak   707 spectrum    1 weight  0.10000E+01 volume  0.13035E-02 ppm1      7.611 ppm2      1.718 CV     1
 ASSI {  708}
   (( segid " 1SG" and resid 71   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD2%)
      4.400     2.400     1.600 peak   708 spectrum    1 weight  0.10000E+01 volume  0.13019E-02 ppm1      8.723 ppm2      0.733 CV     1
 ASSI {  709}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 27   and name HB2 ))
      3.200     1.300     1.300 peak   709 spectrum    1 weight  0.10000E+01 volume  0.13012E-02 ppm1      7.888 ppm2      1.570 CV     1
 OR {  709}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 27   and name HB1 ))
 ASSI {  710}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 72   and name HA  ))
      3.600     1.600     1.600 peak   710 spectrum    1 weight  0.10000E+01 volume  0.12980E-02 ppm1      8.849 ppm2      5.367 CV     1
 ASSI {  711}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 24   and name HB2 ))
      3.000     1.100     1.100 peak   711 spectrum    1 weight  0.10000E+01 volume  0.12967E-02 ppm1      9.240 ppm2      2.394 CV     1
 ASSI {  712}
   (( segid " 1SG" and resid 19   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      4.000     2.000     2.000 peak   712 spectrum    1 weight  0.10000E+01 volume  0.12946E-02 ppm1      9.827 ppm2      0.372 CV     1
 ASSI {  713}
   (( segid " 1SG" and resid 72   and name HN  ))
   (( segid " 1SG" and resid 72   and name HB2 ))
      2.800     1.000     1.000 peak   713 spectrum    1 weight  0.10000E+01 volume  0.12933E-02 ppm1      9.295 ppm2      2.892 CV     1
 ASSI {  715}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 49   and name HA  ))
      3.300     1.400     1.400 peak   715 spectrum    1 weight  0.10000E+01 volume  0.12928E-02 ppm1      8.940 ppm2      3.867 CV     1
 ASSI {  716}
   (( segid " 1SG" and resid 42   and name HN  ))
   (  segid " 1SG" and resid 42   and name HD% )
      4.100     2.100     1.900 peak   716 spectrum    1 weight  0.10000E+01 volume  0.12924E-02 ppm1      9.448 ppm2      6.695 CV     1
 ASSI {  718}
   (( segid " 1SG" and resid 85   and name HN  ))
   (( segid " 1SG" and resid 104  and name HN  ))
      3.200     1.300     1.300 peak   718 spectrum    1 weight  0.10000E+01 volume  0.12891E-02 ppm1      9.408 ppm2      8.792 CV     1
 ASSI {  720}
   (( segid " 1SG" and resid 54   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
      3.600     1.600     1.600 peak   720 spectrum    1 weight  0.10000E+01 volume  0.12808E-02 ppm1      9.023 ppm2      0.598 CV     1
 OR {  720}
   (( segid " 1SG" and resid 54   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI {  725}
   (( segid " 1SG" and resid 74   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD2%)
      3.400     1.400     1.400 peak   725 spectrum    1 weight  0.10000E+01 volume  0.12769E-02 ppm1      8.471 ppm2      0.409 CV     1
 OR {  725}
   (( segid " 1SG" and resid 74   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI {  728}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (  segid " 1SG" and resid 72   and name HD% )
      3.300     1.400     1.400 peak   728 spectrum    1 weight  0.10000E+01 volume  0.12644E-02 ppm1     10.780 ppm2      7.306 CV     1
 ASSI {  729}
   (( segid " 1SG" and resid 44   and name HN  ))
   (  segid " 1SG" and resid 47   and name HG1%)
      4.500     2.500     1.500 peak   729 spectrum    1 weight  0.10000E+01 volume  0.12602E-02 ppm1      8.212 ppm2      0.992 CV     1
 ASSI {  730}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 107  and name HN  ))
      3.800     1.800     1.800 peak   730 spectrum    1 weight  0.10000E+01 volume  0.12566E-02 ppm1      8.563 ppm2      8.822 CV     1
 ASSI {  731}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (  segid " 1SG" and resid 59   and name HD1%)
      3.900     1.900     1.900 peak   731 spectrum    1 weight  0.10000E+01 volume  0.12559E-02 ppm1     10.780 ppm2      0.855 CV     1
 ASSI {  732}
   (( segid " 1SG" and resid 6    and name HN  ))
   (( segid " 1SG" and resid 7    and name HN  ))
      3.200     1.300     1.300 peak   732 spectrum    1 weight  0.10000E+01 volume  0.12542E-02 ppm1      8.450 ppm2      8.878 CV     1
 ASSI {  733}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 103  and name HB2 ))
      3.800     1.800     1.800 peak   733 spectrum    1 weight  0.10000E+01 volume  0.12532E-02 ppm1      8.794 ppm2      2.502 CV     1
 ASSI {  734}
   (( segid " 1SG" and resid 49   and name HN  ))
   (  segid " 1SG" and resid 49   and name HD2%)
      4.200     2.200     1.800 peak   734 spectrum    1 weight  0.10000E+01 volume  0.12451E-02 ppm1      9.288 ppm2      1.014 CV     1
 ASSI {  735}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (( segid " 1SG" and resid 72   and name HB2 ))
      3.300     1.400     1.400 peak   735 spectrum    1 weight  0.10000E+01 volume  0.12445E-02 ppm1     10.779 ppm2      2.895 CV     1
 ASSI {  736}
   (( segid " 1SG" and resid 19   and name HN  ))
   (( segid " 1SG" and resid 18   and name HB  ))
      4.000     2.000     2.000 peak   736 spectrum    1 weight  0.10000E+01 volume  0.12428E-02 ppm1      9.827 ppm2      1.919 CV     1
 ASSI {  737}
   (( segid " 1SG" and resid 63   and name HN  ))
   (  segid " 1SG" and resid 63   and name HD% )
      4.100     2.100     1.900 peak   737 spectrum    1 weight  0.10000E+01 volume  0.12375E-02 ppm1      8.518 ppm2      5.900 CV     1
 ASSI {  742}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 15   and name HG1 ))
      4.400     2.500     1.600 peak   742 spectrum    1 weight  0.10000E+01 volume  0.12276E-02 ppm1      8.593 ppm2      2.271 CV     1
 OR {  742}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 15   and name HG2 ))
 ASSI {  745}
   (( segid " 1SG" and resid 53   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
      3.100     1.200     1.200 peak   745 spectrum    1 weight  0.10000E+01 volume  0.12157E-02 ppm1      6.764 ppm2      0.597 CV     1
 OR {  745}
   (( segid " 1SG" and resid 53   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI {  746}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 3    and name HB1 ))
      4.200     2.300     1.800 peak   746 spectrum    1 weight  0.10000E+01 volume  0.12151E-02 ppm1      8.263 ppm2      2.285 CV     1
 OR {  746}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 3    and name HB2 ))
 ASSI {  747}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 49   and name HA  ))
      3.200     1.200     1.200 peak   747 spectrum    1 weight  0.10000E+01 volume  0.12142E-02 ppm1      7.785 ppm2      3.862 CV     1
 ASSI {  748}
   (( segid " 1SG" and resid 73   and name HN  ))
   (  segid " 1SG" and resid 72   and name HD% )
      4.200     2.200     1.800 peak   748 spectrum    1 weight  0.10000E+01 volume  0.12142E-02 ppm1      9.449 ppm2      7.306 CV     1
 ASSI {  751}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 18   and name HN  ))
      3.600     1.600     1.600 peak   751 spectrum    1 weight  0.10000E+01 volume  0.12099E-02 ppm1      8.821 ppm2      8.005 CV     1
 ASSI {  753}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 25   and name HA  ))
      3.100     1.200     1.200 peak   753 spectrum    1 weight  0.10000E+01 volume  0.12056E-02 ppm1      8.399 ppm2      5.688 CV     1
 ASSI {  754}
   (( segid " 1SG" and resid 31   and name HN  ))
   (( segid " 1SG" and resid 31   and name HA  ))
      3.100     1.200     1.200 peak   754 spectrum    1 weight  0.10000E+01 volume  0.12052E-02 ppm1      8.418 ppm2      4.164 CV     1
 ASSI {  755}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 22   and name HB  ))
      3.400     1.400     1.400 peak   755 spectrum    1 weight  0.10000E+01 volume  0.12041E-02 ppm1      8.887 ppm2      1.514 CV     1
 ASSI {  758}
   (( segid " 1SG" and resid 57   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
      3.900     1.900     1.900 peak   758 spectrum    1 weight  0.10000E+01 volume  0.12010E-02 ppm1      7.199 ppm2      0.601 CV     1
 OR {  758}
   (( segid " 1SG" and resid 57   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI {  759}
   (( segid " 1SG" and resid 83   and name HN  ))
   (  segid " 1SG" and resid 104  and name HD2%)
      4.000     2.000     2.000 peak   759 spectrum    1 weight  0.10000E+01 volume  0.11980E-02 ppm1      8.256 ppm2      0.808 CV     1
 ASSI {  760}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 9    and name HB2 ))
      3.900     1.900     1.900 peak   760 spectrum    1 weight  0.10000E+01 volume  0.11949E-02 ppm1      8.888 ppm2      1.892 CV     1
 ASSI {  762}
   (( segid " 1SG" and resid 68   and name HN  ))
   (  segid " 1SG" and resid 66   and name HB% )
      4.700     2.800     1.300 peak   762 spectrum    1 weight  0.10000E+01 volume  0.11870E-02 ppm1      7.875 ppm2      1.403 CV     1
 ASSI {  763}
   (( segid " 1SG" and resid 61   and name HN  ))
   (( segid " 1SG" and resid 60   and name HN  ))
      4.100     2.100     1.900 peak   763 spectrum    1 weight  0.10000E+01 volume  0.11859E-02 ppm1      8.177 ppm2      8.689 CV     1
 ASSI {  764}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 74   and name HB2 ))
      2.700     0.900     0.900 peak   764 spectrum    1 weight  0.10000E+01 volume  0.11835E-02 ppm1      8.470 ppm2     -0.840 CV     1
 ASSI {  765}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 8    and name HA  ))
      3.500     1.600     1.600 peak   765 spectrum    1 weight  0.10000E+01 volume  0.11834E-02 ppm1      7.888 ppm2      4.174 CV     1
 ASSI {  767}
   (( segid " 1SG" and resid 91   and name HN  ))
   (( segid " 1SG" and resid 91   and name HB  ))
      3.300     1.300     1.300 peak   767 spectrum    1 weight  0.10000E+01 volume  0.11769E-02 ppm1      8.474 ppm2      1.131 CV     1
 ASSI {  770}
   (( segid " 1SG" and resid 102  and name HN  ))
   (( segid " 1SG" and resid 88   and name HA  ))
      3.600     1.600     1.600 peak   770 spectrum    1 weight  0.10000E+01 volume  0.11690E-02 ppm1      8.557 ppm2      5.305 CV     1
 ASSI {  771}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 57   and name HG  ))
      4.300     2.300     1.700 peak   771 spectrum    1 weight  0.10000E+01 volume  0.11684E-02 ppm1      7.198 ppm2      0.750 CV     1
 ASSI {  772}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 73   and name HA  ))
      3.100     1.200     1.200 peak   772 spectrum    1 weight  0.10000E+01 volume  0.11682E-02 ppm1      9.448 ppm2      5.466 CV     1
 ASSI {  773}
   (( segid " 1SG" and resid 6    and name HN  ))
   (( segid " 1SG" and resid 6    and name HA  ))
      3.100     1.200     1.200 peak   773 spectrum    1 weight  0.10000E+01 volume  0.11667E-02 ppm1      8.450 ppm2      4.448 CV     1
 ASSI {  774}
   (( segid " 1SG" and resid 12   and name HE21))
   (( segid " 1SG" and resid 12   and name HA  ))
      3.200     1.300     1.300 peak   774 spectrum    1 weight  0.10000E+01 volume  0.11667E-02 ppm1      7.451 ppm2      4.687 CV     1
 ASSI {  775}
   (( segid " 1SG" and resid 10   and name HN  ))
   (( segid " 1SG" and resid 10   and name HB2 ))
      3.500     1.500     1.500 peak   775 spectrum    1 weight  0.10000E+01 volume  0.11652E-02 ppm1      8.853 ppm2      1.250 CV     1
 ASSI {  776}
   (( segid " 1SG" and resid 102  and name HN  ))
   (( segid " 1SG" and resid 87   and name HN  ))
      3.100     1.200     1.200 peak   776 spectrum    1 weight  0.10000E+01 volume  0.11637E-02 ppm1      8.557 ppm2      9.117 CV     1
 ASSI {  777}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 94   and name HG2 ))
      3.100     1.200     1.200 peak   777 spectrum    1 weight  0.10000E+01 volume  0.11623E-02 ppm1      7.971 ppm2      1.402 CV     1
 OR {  777}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 94   and name HG1 ))
 ASSI {  778}
   (( segid " 1SG" and resid 75   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
      3.400     1.500     1.500 peak   778 spectrum    1 weight  0.10000E+01 volume  0.11605E-02 ppm1      9.152 ppm2      0.609 CV     1
 OR {  778}
   (( segid " 1SG" and resid 75   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI {  779}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 49   and name HA  ))
      3.100     1.200     1.200 peak   779 spectrum    1 weight  0.10000E+01 volume  0.11582E-02 ppm1      9.288 ppm2      3.859 CV     1
 ASSI {  783}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 56   and name HB2 ))
      3.600     1.600     1.600 peak   783 spectrum    1 weight  0.10000E+01 volume  0.11557E-02 ppm1      7.198 ppm2      3.101 CV     1
 ASSI {  790}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 104  and name HA  ))
      3.200     1.300     1.300 peak   790 spectrum    1 weight  0.10000E+01 volume  0.11433E-02 ppm1      8.792 ppm2      5.431 CV     1
 ASSI {  791}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 53   and name HN  ))
      3.800     1.800     1.800 peak   791 spectrum    1 weight  0.10000E+01 volume  0.11424E-02 ppm1      9.018 ppm2      6.764 CV     1
 ASSI {  792}
   (( segid " 1SG" and resid 104  and name HN  ))
   (  segid " 1SG" and resid 87   and name HE% )
      3.600     1.600     1.600 peak   792 spectrum    1 weight  0.10000E+01 volume  0.11413E-02 ppm1      8.791 ppm2      6.590 CV     1
 ASSI {  794}
   (( segid " 1SG" and resid 84   and name HN  ))
   (( segid " 1SG" and resid 85   and name HN  ))
      3.600     1.600     1.600 peak   794 spectrum    1 weight  0.10000E+01 volume  0.11386E-02 ppm1      7.865 ppm2      9.407 CV     1
 ASSI {  799}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (  segid " 1SG" and resid 39   and name HG2%)
      3.800     1.800     1.800 peak   799 spectrum    1 weight  0.10000E+01 volume  0.11278E-02 ppm1     10.779 ppm2     -0.462 CV     1
 ASSI {  802}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 103  and name HA  ))
      3.100     1.200     1.200 peak   802 spectrum    1 weight  0.10000E+01 volume  0.11213E-02 ppm1      9.242 ppm2      5.536 CV     1
 ASSI {  803}
   (( segid " 1SG" and resid 8    and name HN  ))
   (( segid " 1SG" and resid 8    and name HA  ))
      3.300     1.400     1.400 peak   803 spectrum    1 weight  0.10000E+01 volume  0.11156E-02 ppm1      9.052 ppm2      4.174 CV     1
 ASSI {  805}
   (( segid " 1SG" and resid 30   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG1%)
      4.300     2.300     1.700 peak   805 spectrum    1 weight  0.10000E+01 volume  0.11129E-02 ppm1      8.593 ppm2      0.934 CV     1
 OR {  805}
   (( segid " 1SG" and resid 30   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG2%)
 ASSI {  807}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 57   and name HG  ))
      4.200     2.200     1.800 peak   807 spectrum    1 weight  0.10000E+01 volume  0.11059E-02 ppm1      8.941 ppm2      0.750 CV     1
 ASSI {  808}
   (( segid " 1SG" and resid 80   and name HE22))
   (  segid " 1SG" and resid 18   and name HG1%)
      4.800     2.900     1.200 peak   808 spectrum    1 weight  0.10000E+01 volume  0.11053E-02 ppm1      6.644 ppm2      0.986 CV     1
 ASSI {  810}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 59   and name HA  ))
      3.800     1.800     1.800 peak   810 spectrum    1 weight  0.10000E+01 volume  0.10999E-02 ppm1      9.150 ppm2      5.181 CV     1
 ASSI {  811}
   (( segid " 1SG" and resid 93   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.300     1.400     1.400 peak   811 spectrum    1 weight  0.10000E+01 volume  0.10988E-02 ppm1      8.558 ppm2      0.475 CV     1
 ASSI {  812}
   (( segid " 1SG" and resid 19   and name HN  ))
   (( segid " 1SG" and resid 78   and name HA  ))
      3.300     1.300     1.300 peak   812 spectrum    1 weight  0.10000E+01 volume  0.10981E-02 ppm1      9.829 ppm2      4.106 CV     1
 ASSI {  813}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 38   and name HB  ))
      3.400     1.500     1.500 peak   813 spectrum    1 weight  0.10000E+01 volume  0.10967E-02 ppm1      8.735 ppm2      1.891 CV     1
 ASSI {  814}
   (( segid " 1SG" and resid 43   and name HN  ))
   (  segid " 1SG" and resid 49   and name HD1%)
      3.500     1.500     1.500 peak   814 spectrum    1 weight  0.10000E+01 volume  0.10965E-02 ppm1      8.631 ppm2      1.759 CV     1
 ASSI {  815}
   (( segid " 1SG" and resid 6    and name HN  ))
   (( segid " 1SG" and resid 5    and name HA2 ))
      3.400     1.500     1.500 peak   815 spectrum    1 weight  0.10000E+01 volume  0.10954E-02 ppm1      8.450 ppm2      3.861 CV     1
 OR {  815}
   (( segid " 1SG" and resid 6    and name HN  ))
   (( segid " 1SG" and resid 5    and name HA1 ))
 ASSI {  816}
   (( segid " 1SG" and resid 26   and name HN  ))
   (( segid " 1SG" and resid 72   and name HN  ))
      3.200     1.300     1.300 peak   816 spectrum    1 weight  0.10000E+01 volume  0.10938E-02 ppm1      9.497 ppm2      9.294 CV     1
 ASSI {  817}
   (( segid " 1SG" and resid 46   and name HN  ))
   (( segid " 1SG" and resid 45   and name HA  ))
      3.200     1.300     1.300 peak   817 spectrum    1 weight  0.10000E+01 volume  0.10936E-02 ppm1      8.215 ppm2      3.494 CV     1
 ASSI {  819}
   (( segid " 1SG" and resid 47   and name HN  ))
   (  segid " 1SG" and resid 42   and name HD% )
      3.500     1.500     1.500 peak   819 spectrum    1 weight  0.10000E+01 volume  0.10917E-02 ppm1      7.293 ppm2      6.695 CV     1
 ASSI {  820}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 49   and name HB2 ))
      2.900     1.000     1.000 peak   820 spectrum    1 weight  0.10000E+01 volume  0.10894E-02 ppm1      9.288 ppm2      1.557 CV     1
 ASSI {  822}
   (( segid " 1SG" and resid 29   and name HN  ))
   (( segid " 1SG" and resid 7    and name HA  ))
      3.800     1.800     1.800 peak   822 spectrum    1 weight  0.10000E+01 volume  0.10815E-02 ppm1      8.855 ppm2      4.626 CV     1
 ASSI {  823}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 74   and name HN  ))
      3.400     1.400     1.400 peak   823 spectrum    1 weight  0.10000E+01 volume  0.10813E-02 ppm1      9.240 ppm2      8.469 CV     1
 ASSI {  825}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 40   and name HG1 ))
      4.600     2.600     1.400 peak   825 spectrum    1 weight  0.10000E+01 volume  0.10801E-02 ppm1      9.308 ppm2      1.241 CV     1
 OR {  825}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 40   and name HG2 ))
 ASSI {  826}
   (( segid " 1SG" and resid 64   and name HN  ))
   (  segid " 1SG" and resid 69   and name HG2%)
      4.000     2.000     2.000 peak   826 spectrum    1 weight  0.10000E+01 volume  0.10792E-02 ppm1      7.752 ppm2      0.845 CV     1
 OR {  826}
   (( segid " 1SG" and resid 64   and name HN  ))
   (  segid " 1SG" and resid 69   and name HG1%)
 ASSI {  828}
   (( segid " 1SG" and resid 58   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD1%)
      4.300     2.300     1.700 peak   828 spectrum    1 weight  0.10000E+01 volume  0.10768E-02 ppm1      8.945 ppm2      0.402 CV     1
 OR {  828}
   (( segid " 1SG" and resid 58   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD2%)
 ASSI {  829}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 42   and name HA  ))
      3.300     1.300     1.300 peak   829 spectrum    1 weight  0.10000E+01 volume  0.10758E-02 ppm1      9.289 ppm2      5.784 CV     1
 ASSI {  830}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 78   and name HB2 ))
      4.400     2.400     1.600 peak   830 spectrum    1 weight  0.10000E+01 volume  0.10729E-02 ppm1      8.973 ppm2      2.375 CV     1
 ASSI {  831}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB1 ))
      3.900     1.900     1.900 peak   831 spectrum    1 weight  0.10000E+01 volume  0.10728E-02 ppm1      8.941 ppm2      1.687 CV     1
 OR {  831}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB2 ))
 ASSI {  832}
   (( segid " 1SG" and resid 70   and name HN  ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      3.100     1.200     1.200 peak   832 spectrum    1 weight  0.10000E+01 volume  0.10720E-02 ppm1      9.273 ppm2      2.816 CV     1
 ASSI {  833}
   (( segid " 1SG" and resid 87   and name HN  ))
   (( segid " 1SG" and resid 87   and name HB2 ))
      3.200     1.200     1.200 peak   833 spectrum    1 weight  0.10000E+01 volume  0.10694E-02 ppm1      9.112 ppm2      0.700 CV     1
 ASSI {  838}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 64   and name HB2 ))
      4.300     2.300     1.700 peak   838 spectrum    1 weight  0.10000E+01 volume  0.10638E-02 ppm1      8.307 ppm2      2.338 CV     1
 ASSI {  839}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 90   and name HN  ))
      3.200     1.300     1.300 peak   839 spectrum    1 weight  0.10000E+01 volume  0.10626E-02 ppm1      8.694 ppm2      9.477 CV     1
 ASSI {  840}
   (( segid " 1SG" and resid 92   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG2%)
      3.800     1.800     1.800 peak   840 spectrum    1 weight  0.10000E+01 volume  0.10616E-02 ppm1      8.735 ppm2     -0.459 CV     1
 ASSI {  841}
   (( segid " 1SG" and resid 68   and name HN  ))
   (( segid " 1SG" and resid 66   and name HN  ))
      4.300     2.300     1.700 peak   841 spectrum    1 weight  0.10000E+01 volume  0.10580E-02 ppm1      7.875 ppm2      8.104 CV     1
 ASSI {  843}
   (( segid " 1SG" and resid 7    and name HN  ))
   (( segid " 1SG" and resid 7    and name HB2 ))
      3.100     1.200     1.200 peak   843 spectrum    1 weight  0.10000E+01 volume  0.10573E-02 ppm1      8.878 ppm2      2.581 CV     1
 ASSI {  844}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 69   and name HN  ))
      3.700     1.700     1.700 peak   844 spectrum    1 weight  0.10000E+01 volume  0.10560E-02 ppm1      7.422 ppm2      6.897 CV     1
 ASSI {  847}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 4    and name HN  ))
      3.600     1.600     1.600 peak   847 spectrum    1 weight  0.10000E+01 volume  0.10514E-02 ppm1      8.112 ppm2      8.269 CV     1
 ASSI {  848}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 39   and name HB  ))
      3.800     1.800     1.800 peak   848 spectrum    1 weight  0.10000E+01 volume  0.10486E-02 ppm1      8.696 ppm2      0.582 CV     1
 ASSI {  852}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 71   and name HA  ))
      3.100     1.200     1.200 peak   852 spectrum    1 weight  0.10000E+01 volume  0.10395E-02 ppm1      8.722 ppm2      5.068 CV     1
 ASSI {  853}
   (( segid " 1SG" and resid 31   and name HN  ))
   (( segid " 1SG" and resid 30   and name HN  ))
      3.300     1.300     1.300 peak   853 spectrum    1 weight  0.10000E+01 volume  0.10393E-02 ppm1      8.414 ppm2      8.590 CV     1
 ASSI {  854}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 80   and name HN  ))
      3.900     1.900     1.900 peak   854 spectrum    1 weight  0.10000E+01 volume  0.10385E-02 ppm1      8.971 ppm2      5.576 CV     1
 ASSI {  859}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 41   and name HA  ))
      3.200     1.300     1.300 peak   859 spectrum    1 weight  0.10000E+01 volume  0.10304E-02 ppm1      9.309 ppm2      5.470 CV     1
 ASSI {  860}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 73   and name HB2 ))
      3.300     1.400     1.400 peak   860 spectrum    1 weight  0.10000E+01 volume  0.10281E-02 ppm1      9.449 ppm2      1.556 CV     1
 ASSI {  861}
   (( segid " 1SG" and resid 20   and name HN  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      2.800     2.800     3.200 peak   861 spectrum    1 weight  0.10000E+01 volume  0.10269E-02 ppm1      8.825 ppm2      1.280 CV     1
 ASSI {  863}
   (( segid " 1SG" and resid 16   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      4.100     2.100     1.900 peak   863 spectrum    1 weight  0.10000E+01 volume  0.10252E-02 ppm1      8.593 ppm2      0.375 CV     1
 ASSI {  864}
   (( segid " 1SG" and resid 26   and name HN  ))
   (( segid " 1SG" and resid 73   and name HA  ))
      3.600     1.600     1.600 peak   864 spectrum    1 weight  0.10000E+01 volume  0.10230E-02 ppm1      9.497 ppm2      5.471 CV     1
 ASSI {  865}
   (( segid " 1SG" and resid 46   and name HN  ))
   (  segid " 1SG" and resid 47   and name HG1%)
      4.900     3.000     1.100 peak   865 spectrum    1 weight  0.10000E+01 volume  0.10225E-02 ppm1      8.216 ppm2      0.967 CV     1
 ASSI {  866}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 46   and name HA  ))
      3.500     1.500     1.500 peak   866 spectrum    1 weight  0.10000E+01 volume  0.10210E-02 ppm1      7.291 ppm2      4.989 CV     1
 ASSI {  872}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 52   and name HB2 ))
      3.600     1.600     1.600 peak   872 spectrum    1 weight  0.10000E+01 volume  0.10153E-02 ppm1      6.764 ppm2      1.716 CV     1
 ASSI {  873}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 76   and name HG12))
      4.200     2.200     1.800 peak   873 spectrum    1 weight  0.10000E+01 volume  0.10144E-02 ppm1      7.198 ppm2      1.092 CV     1
 ASSI {  874}
   (( segid " 1SG" and resid 71   and name HN  ))
   (  segid " 1SG" and resid 63   and name HD% )
      2.800     2.800     3.200 peak   874 spectrum    1 weight  0.10000E+01 volume  0.10119E-02 ppm1      8.724 ppm2      5.900 CV     1
 ASSI {  875}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 104  and name HB2 ))
      3.800     1.800     1.800 peak   875 spectrum    1 weight  0.10000E+01 volume  0.10113E-02 ppm1      8.793 ppm2      1.229 CV     1
 ASSI {  877}
   (( segid " 1SG" and resid 24   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD1%)
      4.400     2.400     1.600 peak   877 spectrum    1 weight  0.10000E+01 volume  0.10087E-02 ppm1      9.239 ppm2      0.410 CV     1
 OR {  877}
   (( segid " 1SG" and resid 24   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD2%)
 ASSI {  879}
   (( segid " 1SG" and resid 96   and name HN  ))
   (  segid " 1SG" and resid 93   and name HG2%)
      4.000     2.000     2.000 peak   879 spectrum    1 weight  0.10000E+01 volume  0.10059E-02 ppm1      7.548 ppm2      1.025 CV     1
 ASSI {  880}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 78   and name HA  ))
      3.400     1.500     1.500 peak   880 spectrum    1 weight  0.10000E+01 volume  0.10050E-02 ppm1      8.826 ppm2      4.088 CV     1
 ASSI {  881}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 41   and name HB2 ))
      2.900     1.100     1.100 peak   881 spectrum    1 weight  0.10000E+01 volume  0.10043E-02 ppm1      9.312 ppm2      3.155 CV     1
 ASSI {  885}
   (( segid " 1SG" and resid 86   and name HN  ))
   (( segid " 1SG" and resid 87   and name HN  ))
      3.500     1.600     1.600 peak   885 spectrum    1 weight  0.10000E+01 volume  0.99849E-03 ppm1      7.947 ppm2      9.112 CV     1
 ASSI {  886}
   (( segid " 1SG" and resid 24   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
      4.800     2.800     1.200 peak   886 spectrum    1 weight  0.10000E+01 volume  0.99779E-03 ppm1      9.239 ppm2      0.619 CV     1
 OR {  886}
   (( segid " 1SG" and resid 24   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI {  888}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 105  and name HA  ))
      3.300     1.300     1.300 peak   888 spectrum    1 weight  0.10000E+01 volume  0.99610E-03 ppm1      8.397 ppm2      4.536 CV     1
 ASSI {  889}
   (( segid " 1SG" and resid 58   and name HE22))
   (  segid " 1SG" and resid 77   and name HG2%)
      3.400     1.500     1.500 peak   889 spectrum    1 weight  0.10000E+01 volume  0.99314E-03 ppm1      6.684 ppm2      1.034 CV     1
 ASSI {  890}
   (( segid " 1SG" and resid 58   and name HN  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      4.100     2.100     1.900 peak   890 spectrum    1 weight  0.10000E+01 volume  0.99233E-03 ppm1      8.939 ppm2      1.056 CV     1
 ASSI {  891}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 38   and name HN  ))
      3.900     1.900     1.900 peak   891 spectrum    1 weight  0.10000E+01 volume  0.99120E-03 ppm1      7.893 ppm2      8.374 CV     1
 ASSI {  892}
   (( segid " 1SG" and resid 14   and name HN  ))
   (  segid " 1SG" and resid 22   and name HD1%)
      4.000     2.000     2.000 peak   892 spectrum    1 weight  0.10000E+01 volume  0.99076E-03 ppm1      9.186 ppm2      0.528 CV     1
 ASSI {  894}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 28   and name HA  ))
      3.300     1.300     1.300 peak   894 spectrum    1 weight  0.10000E+01 volume  0.98818E-03 ppm1      9.673 ppm2      4.901 CV     1
 ASSI {  896}
   (( segid " 1SG" and resid 98   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.600     1.600     1.600 peak   896 spectrum    1 weight  0.10000E+01 volume  0.98780E-03 ppm1      8.417 ppm2      0.476 CV     1
 ASSI {  897}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 45   and name HA  ))
      4.300     2.300     1.700 peak   897 spectrum    1 weight  0.10000E+01 volume  0.98737E-03 ppm1      7.291 ppm2      3.498 CV     1
 ASSI {  899}
   (( segid " 1SG" and resid 80   and name HE21))
   (  segid " 1SG" and resid 18   and name HG1%)
      4.300     2.400     1.700 peak   899 spectrum    1 weight  0.10000E+01 volume  0.98636E-03 ppm1      6.984 ppm2      0.990 CV     1
 ASSI {  900}
   (( segid " 1SG" and resid 85   and name HN  ))
   (  segid " 1SG" and resid 87   and name HE% )
      3.800     1.800     1.800 peak   900 spectrum    1 weight  0.10000E+01 volume  0.98579E-03 ppm1      9.408 ppm2      6.590 CV     1
 ASSI {  902}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 14   and name HN  ))
      4.000     2.000     2.000 peak   902 spectrum    1 weight  0.10000E+01 volume  0.98485E-03 ppm1      8.503 ppm2      9.185 CV     1
 ASSI {  905}
   (( segid " 1SG" and resid 8    and name HN  ))
   (( segid " 1SG" and resid 28   and name HA  ))
      3.400     1.400     1.400 peak   905 spectrum    1 weight  0.10000E+01 volume  0.98184E-03 ppm1      9.051 ppm2      4.900 CV     1
 ASSI {  906}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 61   and name HN  ))
      4.100     2.100     1.900 peak   906 spectrum    1 weight  0.10000E+01 volume  0.98071E-03 ppm1      8.846 ppm2      8.182 CV     1
 ASSI {  907}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 68   and name HG1 ))
      3.800     1.800     1.800 peak   907 spectrum    1 weight  0.10000E+01 volume  0.98071E-03 ppm1      6.897 ppm2      1.262 CV     1
 OR {  907}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 68   and name HG2 ))
 ASSI {  911}
   (( segid " 1SG" and resid 7    and name HN  ))
   (( segid " 1SG" and resid 7    and name HA  ))
      3.400     1.500     1.500 peak   911 spectrum    1 weight  0.10000E+01 volume  0.97354E-03 ppm1      8.874 ppm2      4.632 CV     1
 ASSI {  913}
   (( segid " 1SG" and resid 100  and name HN  ))
   (( segid " 1SG" and resid 90   and name HB2 ))
      2.900     2.900     3.100 peak   913 spectrum    1 weight  0.10000E+01 volume  0.97059E-03 ppm1      8.888 ppm2      2.040 CV     1
 ASSI {  914}
   (( segid " 1SG" and resid 100  and name HN  ))
   (( segid " 1SG" and resid 99   and name HB2 ))
      3.500     1.600     1.600 peak   914 spectrum    1 weight  0.10000E+01 volume  0.96827E-03 ppm1      8.896 ppm2      2.735 CV     1
 ASSI {  915}
   (( segid " 1SG" and resid 68   and name HN  ))
   (( segid " 1SG" and resid 67   and name HB2 ))
      4.100     2.100     1.900 peak   915 spectrum    1 weight  0.10000E+01 volume  0.96569E-03 ppm1      7.872 ppm2      3.727 CV     1
 OR {  915}
   (( segid " 1SG" and resid 68   and name HN  ))
   (( segid " 1SG" and resid 67   and name HB1 ))
 ASSI {  916}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 36   and name HD2 ))
      4.300     2.300     1.700 peak   916 spectrum    1 weight  0.10000E+01 volume  0.96418E-03 ppm1      7.511 ppm2      3.495 CV     1
 ASSI {  919}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 103  and name HD22))
      3.800     1.800     1.800 peak   919 spectrum    1 weight  0.10000E+01 volume  0.96085E-03 ppm1      9.241 ppm2      6.759 CV     1
 ASSI {  920}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 16   and name HN  ))
      4.000     2.000     2.000 peak   920 spectrum    1 weight  0.10000E+01 volume  0.96066E-03 ppm1      8.401 ppm2      8.591 CV     1
 ASSI {  922}
   (( segid " 1SG" and resid 84   and name HN  ))
   (( segid " 1SG" and resid 106  and name HB  ))
      4.300     2.300     1.700 peak   922 spectrum    1 weight  0.10000E+01 volume  0.95834E-03 ppm1      7.867 ppm2      1.848 CV     1
 ASSI {  929}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 62   and name HB2 ))
      3.400     1.400     1.400 peak   929 spectrum    1 weight  0.10000E+01 volume  0.95262E-03 ppm1      8.847 ppm2      3.809 CV     1
 ASSI {  930}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 43   and name HN  ))
      3.300     1.400     1.400 peak   930 spectrum    1 weight  0.10000E+01 volume  0.95174E-03 ppm1      7.291 ppm2      8.632 CV     1
 ASSI {  931}
   (( segid " 1SG" and resid 59   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
      3.400     1.500     1.500 peak   931 spectrum    1 weight  0.10000E+01 volume  0.95149E-03 ppm1      8.380 ppm2      0.601 CV     1
 OR {  931}
   (( segid " 1SG" and resid 59   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI {  936}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (( segid " 1SG" and resid 39   and name HB  ))
      3.500     1.600     1.600 peak   936 spectrum    1 weight  0.10000E+01 volume  0.94778E-03 ppm1     10.779 ppm2      0.593 CV     1
 ASSI {  939}
   (( segid " 1SG" and resid 84   and name HN  ))
   (( segid " 1SG" and resid 81   and name HA  ))
      4.500     2.500     1.500 peak   939 spectrum    1 weight  0.10000E+01 volume  0.94408E-03 ppm1      7.866 ppm2      3.996 CV     1
 ASSI {  940}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 96   and name HG1 ))
      3.300     1.300     1.300 peak   940 spectrum    1 weight  0.10000E+01 volume  0.94402E-03 ppm1      8.106 ppm2      1.324 CV     1
 OR {  940}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 96   and name HG2 ))
 ASSI {  941}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 25   and name HA  ))
      3.700     1.700     1.700 peak   941 spectrum    1 weight  0.10000E+01 volume  0.94326E-03 ppm1      8.472 ppm2      5.686 CV     1
 ASSI {  943}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 43   and name HG2 ))
      3.000     1.200     1.200 peak   943 spectrum    1 weight  0.10000E+01 volume  0.93780E-03 ppm1      8.211 ppm2      0.071 CV     1
 ASSI {  944}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 59   and name HN  ))
      3.700     1.700     1.700 peak   944 spectrum    1 weight  0.10000E+01 volume  0.93233E-03 ppm1      8.685 ppm2      8.389 CV     1
 ASSI {  946}
   (( segid " 1SG" and resid 90   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG2%)
      4.300     2.300     1.700 peak   946 spectrum    1 weight  0.10000E+01 volume  0.92630E-03 ppm1      9.489 ppm2     -0.473 CV     1
 ASSI {  947}
   (( segid " 1SG" and resid 23   and name HN  ))
   (( segid " 1SG" and resid 22   and name HN  ))
      3.900     1.900     1.900 peak   947 spectrum    1 weight  0.10000E+01 volume  0.92416E-03 ppm1      7.911 ppm2      8.899 CV     1
 ASSI {  951}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 73   and name HB2 ))
      4.100     2.100     1.900 peak   951 spectrum    1 weight  0.10000E+01 volume  0.91901E-03 ppm1      8.467 ppm2      1.552 CV     1
 ASSI {  952}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 72   and name HB2 ))
      4.100     2.100     1.900 peak   952 spectrum    1 weight  0.10000E+01 volume  0.91801E-03 ppm1      8.896 ppm2      2.884 CV     1
 ASSI {  953}
   (( segid " 1SG" and resid 82   and name HN  ))
   (( segid " 1SG" and resid 82   and name HA  ))
      3.500     1.500     1.500 peak   953 spectrum    1 weight  0.10000E+01 volume  0.91757E-03 ppm1      8.017 ppm2      4.202 CV     1
 ASSI {  955}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 91   and name HB  ))
      4.000     2.000     2.000 peak   955 spectrum    1 weight  0.10000E+01 volume  0.91650E-03 ppm1      8.733 ppm2      1.128 CV     1
 ASSI {  963}
   (( segid " 1SG" and resid 72   and name HN  ))
   (( segid " 1SG" and resid 72   and name HA  ))
      3.200     1.300     1.300 peak   963 spectrum    1 weight  0.10000E+01 volume  0.90663E-03 ppm1      9.295 ppm2      5.368 CV     1
 ASSI {  964}
   (( segid " 1SG" and resid 87   and name HN  ))
   (( segid " 1SG" and resid 87   and name HA  ))
      3.300     1.300     1.300 peak   964 spectrum    1 weight  0.10000E+01 volume  0.90531E-03 ppm1      9.110 ppm2      4.975 CV     1
 ASSI {  967}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 17   and name HN  ))
      4.100     2.100     1.900 peak   967 spectrum    1 weight  0.10000E+01 volume  0.90186E-03 ppm1      8.592 ppm2      7.900 CV     1
 ASSI {  968}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 40   and name HN  ))
      4.000     2.000     2.000 peak   968 spectrum    1 weight  0.10000E+01 volume  0.89954E-03 ppm1      7.893 ppm2      8.706 CV     1
 ASSI {  971}
   (( segid " 1SG" and resid 33   and name HN  ))
   (  segid " 1SG" and resid 33   and name HD1%)
      3.700     1.700     1.700 peak   971 spectrum    1 weight  0.10000E+01 volume  0.89683E-03 ppm1      7.611 ppm2      0.876 CV     1
 OR {  971}
   (( segid " 1SG" and resid 33   and name HN  ))
   (  segid " 1SG" and resid 33   and name HD2%)
 ASSI {  972}
   (( segid " 1SG" and resid 72   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD2%)
      4.400     2.400     1.600 peak   972 spectrum    1 weight  0.10000E+01 volume  0.89658E-03 ppm1      9.295 ppm2      0.738 CV     1
 ASSI {  973}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 104  and name HG  ))
      3.500     1.500     1.500 peak   973 spectrum    1 weight  0.10000E+01 volume  0.89621E-03 ppm1      8.401 ppm2      1.329 CV     1
 ASSI {  975}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 42   and name HN  ))
      3.300     1.400     1.400 peak   975 spectrum    1 weight  0.10000E+01 volume  0.89407E-03 ppm1      9.108 ppm2      9.450 CV     1
 ASSI {  976}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 74   and name HB2 ))
      4.000     2.000     2.000 peak   976 spectrum    1 weight  0.10000E+01 volume  0.89244E-03 ppm1      9.150 ppm2     -0.838 CV     1
 ASSI {  977}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 87   and name HB2 ))
      4.000     2.000     2.000 peak   977 spectrum    1 weight  0.10000E+01 volume  0.88785E-03 ppm1      9.107 ppm2      0.710 CV     1
 ASSI {  979}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 46   and name HB2 ))
      3.800     1.800     1.800 peak   979 spectrum    1 weight  0.10000E+01 volume  0.88358E-03 ppm1      7.292 ppm2      3.055 CV     1
 ASSI {  980}
   (( segid " 1SG" and resid 10   and name HN  ))
   (( segid " 1SG" and resid 9    and name HG2 ))
      3.800     1.800     1.800 peak   980 spectrum    1 weight  0.10000E+01 volume  0.88339E-03 ppm1      8.851 ppm2      2.507 CV     1
 ASSI {  984}
   (( segid " 1SG" and resid 107  and name HN  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      4.300     2.300     1.700 peak   984 spectrum    1 weight  0.10000E+01 volume  0.87667E-03 ppm1      8.820 ppm2      1.285 CV     1
 ASSI {  986}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 52   and name HG2 ))
      4.300     2.400     1.700 peak   986 spectrum    1 weight  0.10000E+01 volume  0.87397E-03 ppm1      6.765 ppm2      1.329 CV     1
 OR {  986}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 52   and name HG1 ))
 ASSI {  990}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 77   and name HN  ))
      4.000     2.000     2.000 peak   990 spectrum    1 weight  0.10000E+01 volume  0.87057E-03 ppm1      8.053 ppm2      8.718 CV     1
 ASSI {  991}
   (( segid " 1SG" and resid 97   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.700     1.700     1.700 peak   991 spectrum    1 weight  0.10000E+01 volume  0.87026E-03 ppm1      8.063 ppm2      0.474 CV     1
 ASSI {  992}
   (( segid " 1SG" and resid 90   and name HN  ))
   (( segid " 1SG" and resid 90   and name HB2 ))
      3.400     1.400     1.400 peak   992 spectrum    1 weight  0.10000E+01 volume  0.86994E-03 ppm1      9.489 ppm2      2.034 CV     1
 ASSI {  993}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 49   and name HG  ))
      4.200     2.200     1.800 peak   993 spectrum    1 weight  0.10000E+01 volume  0.86957E-03 ppm1      8.941 ppm2      0.789 CV     1
 ASSI {  994}
   (( segid " 1SG" and resid 22   and name HN  ))
   (  segid " 1SG" and resid 77   and name HG2%)
      3.900     1.900     1.900 peak   994 spectrum    1 weight  0.10000E+01 volume  0.86762E-03 ppm1      8.888 ppm2      1.018 CV     1
 ASSI {  996}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 43   and name HB2 ))
      3.500     1.600     1.600 peak   996 spectrum    1 weight  0.10000E+01 volume  0.86611E-03 ppm1      8.628 ppm2      1.216 CV     1
 ASSI {  998}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 18   and name HA  ))
      3.900     1.900     1.900 peak   998 spectrum    1 weight  0.10000E+01 volume  0.85914E-03 ppm1      8.973 ppm2      3.481 CV     1
 ASSI { 1001}
   (( segid " 1SG" and resid 28   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG1%)
      3.800     1.800     1.800 peak  1001 spectrum    1 weight  0.10000E+01 volume  0.85612E-03 ppm1      9.673 ppm2      0.941 CV     1
 OR { 1001}
   (( segid " 1SG" and resid 28   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG2%)
 ASSI { 1002}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 2    and name HA  ))
      3.800     1.800     1.800 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.85480E-03 ppm1      8.264 ppm2      4.901 CV     1
 ASSI { 1003}
   (( segid " 1SG" and resid 105  and name HN  ))
   (  segid " 1SG" and resid 104  and name HD2%)
      4.100     2.100     1.900 peak  1003 spectrum    1 weight  0.10000E+01 volume  0.84802E-03 ppm1      8.399 ppm2      0.818 CV     1
 ASSI { 1004}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 57   and name HG  ))
      4.200     2.200     1.800 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.84739E-03 ppm1      6.764 ppm2      0.753 CV     1
 ASSI { 1008}
   (( segid " 1SG" and resid 78   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      4.100     2.100     1.900 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.84494E-03 ppm1      8.053 ppm2      1.176 CV     1
 ASSI { 1009}
   (( segid " 1SG" and resid 27   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG1%)
      4.400     2.400     1.600 peak  1009 spectrum    1 weight  0.10000E+01 volume  0.84475E-03 ppm1      8.893 ppm2      0.948 CV     1
 OR { 1009}
   (( segid " 1SG" and resid 27   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG2%)
 ASSI { 1013}
   (( segid " 1SG" and resid 46   and name HN  ))
   (( segid " 1SG" and resid 46   and name HA  ))
      3.400     1.400     1.400 peak  1013 spectrum    1 weight  0.10000E+01 volume  0.84280E-03 ppm1      8.217 ppm2      4.976 CV     1
 ASSI { 1014}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 21   and name HN  ))
      4.000     2.000     2.000 peak  1014 spectrum    1 weight  0.10000E+01 volume  0.84236E-03 ppm1      8.891 ppm2      8.169 CV     1
 ASSI { 1015}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 74   and name HA  ))
      3.200     1.300     1.300 peak  1015 spectrum    1 weight  0.10000E+01 volume  0.84186E-03 ppm1      8.470 ppm2      4.333 CV     1
 ASSI { 1016}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (  segid " 1SG" and resid 47   and name HG1%)
      4.200     2.200     1.800 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.84054E-03 ppm1     10.115 ppm2      0.962 CV     1
 ASSI { 1017}
   (( segid " 1SG" and resid 38   and name HN  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      3.700     1.800     1.800 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.83771E-03 ppm1      8.375 ppm2      0.173 CV     1
 ASSI { 1018}
   (( segid " 1SG" and resid 98   and name HN  ))
   (  segid " 1SG" and resid 97   and name HD% )
      3.700     1.700     1.700 peak  1018 spectrum    1 weight  0.10000E+01 volume  0.83589E-03 ppm1      8.417 ppm2      7.087 CV     1
 ASSI { 1019}
   (( segid " 1SG" and resid 104  and name HN  ))
   (  segid " 1SG" and resid 104  and name HD2%)
      4.200     2.200     1.800 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.83338E-03 ppm1      8.795 ppm2      0.813 CV     1
 ASSI { 1020}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 57   and name HN  ))
      3.200     1.200     1.200 peak  1020 spectrum    1 weight  0.10000E+01 volume  0.83288E-03 ppm1      7.433 ppm2      7.207 CV     1
 ASSI { 1022}
   (( segid " 1SG" and resid 101  and name HN  ))
   (( segid " 1SG" and resid 101  and name HB2 ))
      4.100     2.100     1.900 peak  1022 spectrum    1 weight  0.10000E+01 volume  0.83124E-03 ppm1      9.044 ppm2      2.699 CV     1
 ASSI { 1023}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 58   and name HN  ))
      4.000     2.000     2.000 peak  1023 spectrum    1 weight  0.10000E+01 volume  0.83080E-03 ppm1      8.380 ppm2      8.945 CV     1
 ASSI { 1026}
   (( segid " 1SG" and resid 91   and name HN  ))
   (( segid " 1SG" and resid 99   and name HA  ))
      3.800     1.800     1.800 peak  1026 spectrum    1 weight  0.10000E+01 volume  0.82672E-03 ppm1      8.474 ppm2      5.702 CV     1
 ASSI { 1027}
   (( segid " 1SG" and resid 18   and name HN  ))
   (( segid " 1SG" and resid 107  and name HB1 ))
      4.100     2.100     1.900 peak  1027 spectrum    1 weight  0.10000E+01 volume  0.82622E-03 ppm1      8.006 ppm2      3.075 CV     1
 OR { 1027}
   (( segid " 1SG" and resid 18   and name HN  ))
   (( segid " 1SG" and resid 107  and name HB2 ))
 ASSI { 1028}
   (( segid " 1SG" and resid 12   and name HN  ))
   (( segid " 1SG" and resid 11   and name HB2 ))
      3.500     1.600     1.600 peak  1028 spectrum    1 weight  0.10000E+01 volume  0.82465E-03 ppm1      8.345 ppm2      0.920 CV     1
 ASSI { 1029}
   (( segid " 1SG" and resid 42   and name HN  ))
   (( segid " 1SG" and resid 42   and name HB2 ))
      3.500     1.600     1.600 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.82458E-03 ppm1      9.448 ppm2      2.466 CV     1
 ASSI { 1031}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 70   and name HN  ))
      3.900     1.900     1.900 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.82333E-03 ppm1      6.898 ppm2      9.268 CV     1
 ASSI { 1035}
   (( segid " 1SG" and resid 84   and name HN  ))
   (( segid " 1SG" and resid 106  and name HN  ))
      4.100     2.100     1.900 peak  1035 spectrum    1 weight  0.10000E+01 volume  0.81849E-03 ppm1      7.865 ppm2      8.160 CV     1
 ASSI { 1036}
   (( segid " 1SG" and resid 51   and name HN  ))
   (( segid " 1SG" and resid 49   and name HA  ))
      3.700     1.700     1.700 peak  1036 spectrum    1 weight  0.10000E+01 volume  0.81604E-03 ppm1      7.877 ppm2      3.864 CV     1
 ASSI { 1039}
   (( segid " 1SG" and resid 65   and name HN  ))
   (  segid " 1SG" and resid 66   and name HB% )
      4.400     2.500     1.600 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.81246E-03 ppm1      8.306 ppm2      1.408 CV     1
 ASSI { 1040}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      4.300     2.400     1.700 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.81183E-03 ppm1      8.721 ppm2      2.808 CV     1
 ASSI { 1041}
   (( segid " 1SG" and resid 70   and name HN  ))
   (( segid " 1SG" and resid 69   and name HB  ))
      3.900     1.900     1.900 peak  1041 spectrum    1 weight  0.10000E+01 volume  0.80938E-03 ppm1      9.274 ppm2      1.751 CV     1
 ASSI { 1042}
   (( segid " 1SG" and resid 84   and name HN  ))
   (( segid " 1SG" and resid 83   and name HB2 ))
      4.100     2.100     1.900 peak  1042 spectrum    1 weight  0.10000E+01 volume  0.80894E-03 ppm1      7.868 ppm2      3.172 CV     1
 ASSI { 1043}
   (( segid " 1SG" and resid 30   and name HN  ))
   (  segid " 1SG" and resid 70   and name HD% )
      3.600     1.600     1.600 peak  1043 spectrum    1 weight  0.10000E+01 volume  0.80781E-03 ppm1      8.592 ppm2      7.062 CV     1
 ASSI { 1045}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 81   and name HA  ))
      3.600     1.700     1.700 peak  1045 spectrum    1 weight  0.10000E+01 volume  0.80347E-03 ppm1      8.255 ppm2      3.992 CV     1
 ASSI { 1046}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 99   and name HA  ))
      3.500     1.500     1.500 peak  1046 spectrum    1 weight  0.10000E+01 volume  0.80046E-03 ppm1      9.230 ppm2      5.702 CV     1
 ASSI { 1047}
   (( segid " 1SG" and resid 84   and name HN  ))
   (  segid " 1SG" and resid 104  and name HD2%)
      3.900     1.900     1.900 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.80021E-03 ppm1      7.867 ppm2      0.812 CV     1
 ASSI { 1049}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 54   and name HN  ))
      3.600     1.600     1.600 peak  1049 spectrum    1 weight  0.10000E+01 volume  0.79776E-03 ppm1      7.434 ppm2      9.012 CV     1
 ASSI { 1051}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 19   and name HA1 ))
      4.700     2.700     1.300 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.79606E-03 ppm1      8.051 ppm2      4.254 CV     1
 ASSI { 1052}
   (( segid " 1SG" and resid 46   and name HN  ))
   (( segid " 1SG" and resid 46   and name HB2 ))
      3.900     1.900     1.900 peak  1052 spectrum    1 weight  0.10000E+01 volume  0.79474E-03 ppm1      8.216 ppm2      3.056 CV     1
 ASSI { 1054}
   (( segid " 1SG" and resid 62   and name HN  ))
   (  segid " 1SG" and resid 72   and name HD% )
      4.100     2.100     1.900 peak  1054 spectrum    1 weight  0.10000E+01 volume  0.79223E-03 ppm1      8.848 ppm2      7.306 CV     1
 ASSI { 1055}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HD1 ))
      4.400     2.400     1.600 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.79179E-03 ppm1      8.305 ppm2      3.228 CV     1
 OR { 1055}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HD2 ))
 ASSI { 1057}
   (( segid " 1SG" and resid 72   and name HN  ))
   (  segid " 1SG" and resid 26   and name HB% )
      3.900     1.900     1.900 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.79016E-03 ppm1      9.293 ppm2      1.455 CV     1
 ASSI { 1059}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 23   and name HB  ))
      4.200     2.300     1.800 peak  1059 spectrum    1 weight  0.10000E+01 volume  0.78689E-03 ppm1      9.239 ppm2      3.585 CV     1
 ASSI { 1060}
   (( segid " 1SG" and resid 70   and name HN  ))
   (( segid " 1SG" and resid 28   and name HN  ))
      3.400     1.400     1.400 peak  1060 spectrum    1 weight  0.10000E+01 volume  0.78651E-03 ppm1      9.269 ppm2      9.678 CV     1
 ASSI { 1061}
   (( segid " 1SG" and resid 46   and name HN  ))
   (( segid " 1SG" and resid 45   and name HB2 ))
      3.500     1.500     1.500 peak  1061 spectrum    1 weight  0.10000E+01 volume  0.78544E-03 ppm1      8.213 ppm2      0.596 CV     1
 ASSI { 1062}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 74   and name HA  ))
      3.700     1.700     1.700 peak  1062 spectrum    1 weight  0.10000E+01 volume  0.78431E-03 ppm1      8.687 ppm2      4.333 CV     1
 ASSI { 1065}
   (( segid " 1SG" and resid 85   and name HN  ))
   (( segid " 1SG" and resid 104  and name HG  ))
      3.800     1.800     1.800 peak  1065 spectrum    1 weight  0.10000E+01 volume  0.78017E-03 ppm1      9.407 ppm2      1.334 CV     1
 ASSI { 1071}
   (( segid " 1SG" and resid 7    and name HN  ))
   (( segid " 1SG" and resid 6    and name HA  ))
      3.700     1.700     1.700 peak  1071 spectrum    1 weight  0.10000E+01 volume  0.77376E-03 ppm1      8.878 ppm2      4.443 CV     1
 ASSI { 1073}
   (( segid " 1SG" and resid 19   and name HN  ))
   (( segid " 1SG" and resid 18   and name HN  ))
      4.300     2.300     1.700 peak  1073 spectrum    1 weight  0.10000E+01 volume  0.76986E-03 ppm1      9.828 ppm2      8.006 CV     1
 ASSI { 1077}
   (( segid " 1SG" and resid 62   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD2%)
      4.100     2.100     1.900 peak  1077 spectrum    1 weight  0.10000E+01 volume  0.76509E-03 ppm1      8.848 ppm2      0.735 CV     1
 ASSI { 1078}
   (( segid " 1SG" and resid 72   and name HN  ))
   (( segid " 1SG" and resid 27   and name HA  ))
      3.900     1.900     1.900 peak  1078 spectrum    1 weight  0.10000E+01 volume  0.76446E-03 ppm1      9.296 ppm2      5.831 CV     1
 ASSI { 1079}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 67   and name HB2 ))
      4.400     2.400     1.600 peak  1079 spectrum    1 weight  0.10000E+01 volume  0.76333E-03 ppm1      6.900 ppm2      3.732 CV     1
 OR { 1079}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 67   and name HB1 ))
 ASSI { 1080}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 55   and name HA  ))
      3.500     1.600     1.600 peak  1080 spectrum    1 weight  0.10000E+01 volume  0.76258E-03 ppm1      7.434 ppm2      3.988 CV     1
 ASSI { 1081}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 105  and name HB  ))
      4.100     2.100     1.900 peak  1081 spectrum    1 weight  0.10000E+01 volume  0.76220E-03 ppm1      8.593 ppm2      3.930 CV     1
 ASSI { 1082}
   (( segid " 1SG" and resid 77   and name HN  ))
   (( segid " 1SG" and resid 76   and name HB  ))
      4.200     2.200     1.800 peak  1082 spectrum    1 weight  0.10000E+01 volume  0.76201E-03 ppm1      8.711 ppm2      1.910 CV     1
 ASSI { 1083}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 21   and name HA  ))
      4.000     2.000     2.000 peak  1083 spectrum    1 weight  0.10000E+01 volume  0.76138E-03 ppm1      8.972 ppm2      5.495 CV     1
 ASSI { 1084}
   (( segid " 1SG" and resid 80   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      4.000     2.000     2.000 peak  1084 spectrum    1 weight  0.10000E+01 volume  0.76113E-03 ppm1      5.579 ppm2      1.174 CV     1
 ASSI { 1086}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 58   and name HA  ))
      3.500     1.600     1.600 peak  1086 spectrum    1 weight  0.10000E+01 volume  0.76013E-03 ppm1      9.017 ppm2      4.624 CV     1
 ASSI { 1088}
   (( segid " 1SG" and resid 85   and name HN  ))
   (  segid " 1SG" and resid 104  and name HD2%)
      3.500     1.500     1.500 peak  1088 spectrum    1 weight  0.10000E+01 volume  0.75837E-03 ppm1      9.407 ppm2      0.814 CV     1
 ASSI { 1092}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 72   and name HB2 ))
      4.400     2.400     1.600 peak  1092 spectrum    1 weight  0.10000E+01 volume  0.75409E-03 ppm1      9.451 ppm2      2.893 CV     1
 ASSI { 1095}
   (( segid " 1SG" and resid 90   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG1%)
      2.800     1.000     1.000 peak  1095 spectrum    1 weight  0.10000E+01 volume  0.35089E-02 ppm1      9.489 ppm2     -0.081 CV     1
 ASSI { 1099}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 46   and name HD1 ))
      4.200     2.200     1.800 peak  1099 spectrum    1 weight  0.10000E+01 volume  0.74348E-03 ppm1      7.291 ppm2      7.129 CV     1
 ASSI { 1101}
   (( segid " 1SG" and resid 43   and name HN  ))
   (  segid " 1SG" and resid 42   and name HD% )
      3.500     1.500     1.500 peak  1101 spectrum    1 weight  0.10000E+01 volume  0.74203E-03 ppm1      8.628 ppm2      6.700 CV     1
 ASSI { 1102}
   (( segid " 1SG" and resid 93   and name HN  ))
   (( segid " 1SG" and resid 92   and name HN  ))
      4.000     2.000     2.000 peak  1102 spectrum    1 weight  0.10000E+01 volume  0.74159E-03 ppm1      8.556 ppm2      8.734 CV     1
 ASSI { 1103}
   (( segid " 1SG" and resid 76   and name HN  ))
   (( segid " 1SG" and resid 24   and name HN  ))
      4.200     2.200     1.800 peak  1103 spectrum    1 weight  0.10000E+01 volume  0.73506E-03 ppm1      8.925 ppm2      9.242 CV     1
 ASSI { 1105}
   (( segid " 1SG" and resid 48   and name HN  ))
   (  segid " 1SG" and resid 42   and name HD% )
      4.100     2.100     1.900 peak  1105 spectrum    1 weight  0.10000E+01 volume  0.73418E-03 ppm1      8.396 ppm2      6.693 CV     1
 ASSI { 1106}
   (( segid " 1SG" and resid 90   and name HN  ))
   (( segid " 1SG" and resid 89   and name HB2 ))
      4.500     2.600     1.500 peak  1106 spectrum    1 weight  0.10000E+01 volume  0.73412E-03 ppm1      9.488 ppm2      2.324 CV     1
 ASSI { 1109}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 89   and name HB2 ))
      3.400     1.400     1.400 peak  1109 spectrum    1 weight  0.10000E+01 volume  0.73204E-03 ppm1      8.977 ppm2      2.309 CV     1
 ASSI { 1114}
   (( segid " 1SG" and resid 40   and name HN  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      4.600     2.700     1.400 peak  1114 spectrum    1 weight  0.10000E+01 volume  0.72538E-03 ppm1      8.695 ppm2      0.172 CV     1
 ASSI { 1115}
   (( segid " 1SG" and resid 96   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.700     1.700     1.700 peak  1115 spectrum    1 weight  0.10000E+01 volume  0.72199E-03 ppm1      7.545 ppm2      0.466 CV     1
 ASSI { 1116}
   (( segid " 1SG" and resid 78   and name HN  ))
   (  segid " 1SG" and resid 76   and name HG2%)
      4.000     2.000     2.000 peak  1116 spectrum    1 weight  0.10000E+01 volume  0.71860E-03 ppm1      8.055 ppm2      0.789 CV     1
 ASSI { 1117}
   (( segid " 1SG" and resid 64   and name HN  ))
   (( segid " 1SG" and resid 63   and name HB2 ))
      4.900     3.000     1.100 peak  1117 spectrum    1 weight  0.10000E+01 volume  0.71715E-03 ppm1      7.754 ppm2      2.540 CV     1
 ASSI { 1118}
   (( segid " 1SG" and resid 33   and name HN  ))
   (( segid " 1SG" and resid 32   and name HA  ))
      3.700     1.700     1.700 peak  1118 spectrum    1 weight  0.10000E+01 volume  0.71608E-03 ppm1      7.614 ppm2      4.515 CV     1
 ASSI { 1119}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 72   and name HN  ))
      4.300     2.300     1.700 peak  1119 spectrum    1 weight  0.10000E+01 volume  0.71527E-03 ppm1      9.450 ppm2      9.298 CV     1
 ASSI { 1120}
   (( segid " 1SG" and resid 50   and name HN  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      3.900     1.900     1.900 peak  1120 spectrum    1 weight  0.10000E+01 volume  0.71294E-03 ppm1      8.939 ppm2      1.056 CV     1
 ASSI { 1122}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 40   and name HD1 ))
      4.000     2.000     2.000 peak  1122 spectrum    1 weight  0.10000E+01 volume  0.71112E-03 ppm1      8.978 ppm2      1.704 CV     1
 OR { 1122}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 40   and name HD2 ))
 ASSI { 1124}
   (( segid " 1SG" and resid 84   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      5.100     3.200     0.900 peak  1124 spectrum    1 weight  0.10000E+01 volume  0.71037E-03 ppm1      7.861 ppm2      0.372 CV     1
 ASSI { 1127}
   (( segid " 1SG" and resid 30   and name HN  ))
   (  segid " 1SG" and resid 70   and name HE% )
      3.900     1.900     1.900 peak  1127 spectrum    1 weight  0.10000E+01 volume  0.70691E-03 ppm1      8.590 ppm2      6.626 CV     1
 ASSI { 1128}
   (( segid " 1SG" and resid 6    and name HN  ))
   (  segid " 1SG" and resid 6    and name HD1%)
      4.400     2.400     1.600 peak  1128 spectrum    1 weight  0.10000E+01 volume  0.70578E-03 ppm1      8.452 ppm2      0.650 CV     1
 ASSI { 1130}
   (( segid " 1SG" and resid 52   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
      4.500     2.600     1.500 peak  1130 spectrum    1 weight  0.10000E+01 volume  0.70471E-03 ppm1      7.782 ppm2      0.598 CV     1
 OR { 1130}
   (( segid " 1SG" and resid 52   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI { 1134}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 43   and name HA  ))
      3.400     1.400     1.400 peak  1134 spectrum    1 weight  0.10000E+01 volume  0.70264E-03 ppm1      8.628 ppm2      4.137 CV     1
 ASSI { 1135}
   (( segid " 1SG" and resid 102  and name HN  ))
   (  segid " 1SG" and resid 102  and name HD% )
      3.600     1.600     1.600 peak  1135 spectrum    1 weight  0.10000E+01 volume  0.70251E-03 ppm1      8.559 ppm2      6.774 CV     1
 ASSI { 1136}
   (( segid " 1SG" and resid 85   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG1%)
      4.200     2.200     1.800 peak  1136 spectrum    1 weight  0.10000E+01 volume  0.70163E-03 ppm1      9.402 ppm2      0.679 CV     1
 ASSI { 1139}
   (( segid " 1SG" and resid 97   and name HN  ))
   (  segid " 1SG" and resid 97   and name HD% )
      4.400     2.500     1.600 peak  1139 spectrum    1 weight  0.10000E+01 volume  0.70044E-03 ppm1      8.059 ppm2      7.095 CV     1
 ASSI { 1147}
   (( segid " 1SG" and resid 6    and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      4.700     2.700     1.300 peak  1147 spectrum    1 weight  0.10000E+01 volume  0.69516E-03 ppm1      8.450 ppm2      0.473 CV     1
 ASSI { 1148}
   (( segid " 1SG" and resid 100  and name HN  ))
   (( segid " 1SG" and resid 100  and name HB2 ))
      4.000     2.000     2.000 peak  1148 spectrum    1 weight  0.10000E+01 volume  0.69447E-03 ppm1      8.896 ppm2      2.949 CV     1
 ASSI { 1149}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 94   and name HD2 ))
      3.700     3.700     2.300 peak  1149 spectrum    1 weight  0.10000E+01 volume  0.69315E-03 ppm1      7.966 ppm2      1.675 CV     1
 OR { 1149}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 94   and name HD1 ))
 ASSI { 1150}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 7    and name HB2 ))
      3.000     3.000     3.000 peak  1150 spectrum    1 weight  0.10000E+01 volume  0.69290E-03 ppm1      7.886 ppm2      2.575 CV     1
 ASSI { 1151}
   (( segid " 1SG" and resid 105  and name HN  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      4.100     2.100     1.900 peak  1151 spectrum    1 weight  0.10000E+01 volume  0.69227E-03 ppm1      8.397 ppm2      0.598 CV     1
 ASSI { 1153}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 49   and name HB2 ))
      4.300     2.300     1.700 peak  1153 spectrum    1 weight  0.10000E+01 volume  0.68838E-03 ppm1      6.765 ppm2      1.541 CV     1
 ASSI { 1154}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 104  and name HG  ))
      4.100     2.100     1.900 peak  1154 spectrum    1 weight  0.10000E+01 volume  0.68794E-03 ppm1      8.795 ppm2      1.331 CV     1
 ASSI { 1155}
   (( segid " 1SG" and resid 17   and name HN  ))
   (( segid " 1SG" and resid 20   and name HA1 ))
      3.600     1.600     1.600 peak  1155 spectrum    1 weight  0.10000E+01 volume  0.68568E-03 ppm1      7.901 ppm2      3.729 CV     1
 ASSI { 1156}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 94   and name HA  ))
      4.700     2.700     1.300 peak  1156 spectrum    1 weight  0.10000E+01 volume  0.68561E-03 ppm1      7.545 ppm2      4.046 CV     1
 ASSI { 1159}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (  segid " 1SG" and resid 47   and name HG2%)
      4.300     2.300     1.700 peak  1159 spectrum    1 weight  0.10000E+01 volume  0.68480E-03 ppm1     10.119 ppm2      0.784 CV     1
 ASSI { 1160}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 29   and name HN  ))
      4.100     2.100     1.900 peak  1160 spectrum    1 weight  0.10000E+01 volume  0.68373E-03 ppm1      9.673 ppm2      8.869 CV     1
 ASSI { 1161}
   (( segid " 1SG" and resid 21   and name HN  ))
   (( segid " 1SG" and resid 77   and name HA  ))
      4.800     2.800     1.200 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.68316E-03 ppm1      8.164 ppm2      4.654 CV     1
 ASSI { 1162}
   (( segid " 1SG" and resid 64   and name HN  ))
   (( segid " 1SG" and resid 68   and name HN  ))
      4.200     2.200     1.800 peak  1162 spectrum    1 weight  0.10000E+01 volume  0.68247E-03 ppm1      7.762 ppm2      7.885 CV     1
 ASSI { 1163}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 48   and name HB2 ))
      4.500     2.600     1.500 peak  1163 spectrum    1 weight  0.10000E+01 volume  0.68210E-03 ppm1      9.289 ppm2      2.942 CV     1
 ASSI { 1166}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 104  and name HB2 ))
      4.600     2.600     1.400 peak  1166 spectrum    1 weight  0.10000E+01 volume  0.68015E-03 ppm1      8.397 ppm2      1.239 CV     1
 ASSI { 1167}
   (( segid " 1SG" and resid 8    and name HN  ))
   (  segid " 1SG" and resid 7    and name HD% )
      4.700     2.700     1.300 peak  1167 spectrum    1 weight  0.10000E+01 volume  0.67870E-03 ppm1      9.051 ppm2      7.309 CV     1
 ASSI { 1168}
   (( segid " 1SG" and resid 67   and name HN  ))
   (  segid " 1SG" and resid 69   and name HG2%)
      3.700     1.700     1.700 peak  1168 spectrum    1 weight  0.10000E+01 volume  0.67864E-03 ppm1      7.424 ppm2      0.850 CV     1
 OR { 1168}
   (( segid " 1SG" and resid 67   and name HN  ))
   (  segid " 1SG" and resid 69   and name HG1%)
 ASSI { 1170}
   (( segid " 1SG" and resid 12   and name HE21))
   (  segid " 1SG" and resid 102  and name HE% )
      3.900     3.900     2.100 peak  1170 spectrum    1 weight  0.10000E+01 volume  0.67795E-03 ppm1      7.462 ppm2      7.083 CV     1
 ASSI { 1173}
   (( segid " 1SG" and resid 90   and name HN  ))
   (( segid " 1SG" and resid 41   and name HA  ))
      4.200     2.200     1.800 peak  1173 spectrum    1 weight  0.10000E+01 volume  0.67594E-03 ppm1      9.490 ppm2      5.471 CV     1
 ASSI { 1174}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB1 ))
      4.700     2.800     1.300 peak  1174 spectrum    1 weight  0.10000E+01 volume  0.67588E-03 ppm1      7.198 ppm2      2.395 CV     1
 OR { 1174}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB2 ))
 ASSI { 1175}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 73   and name HB2 ))
      3.600     1.600     1.600 peak  1175 spectrum    1 weight  0.10000E+01 volume  0.67581E-03 ppm1      8.688 ppm2      1.552 CV     1
 ASSI { 1177}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 43   and name HD1 ))
      4.600     2.700     1.400 peak  1177 spectrum    1 weight  0.10000E+01 volume  0.67512E-03 ppm1      8.632 ppm2      1.317 CV     1
 OR { 1177}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 43   and name HD2 ))
 ASSI { 1181}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 99   and name HB2 ))
      3.900     1.900     1.900 peak  1181 spectrum    1 weight  0.10000E+01 volume  0.67179E-03 ppm1      9.230 ppm2      2.737 CV     1
 ASSI { 1183}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HA  ))
      3.400     1.400     1.400 peak  1183 spectrum    1 weight  0.10000E+01 volume  0.67154E-03 ppm1      8.888 ppm2      5.828 CV     1
 ASSI { 1184}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 105  and name HN  ))
      3.800     1.800     1.800 peak  1184 spectrum    1 weight  0.10000E+01 volume  0.67142E-03 ppm1      9.178 ppm2      8.396 CV     1
 ASSI { 1187}
   (( segid " 1SG" and resid 17   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      4.500     2.500     1.500 peak  1187 spectrum    1 weight  0.10000E+01 volume  0.67054E-03 ppm1      7.900 ppm2      1.179 CV     1
 ASSI { 1191}
   (( segid " 1SG" and resid 85   and name HN  ))
   (( segid " 1SG" and resid 86   and name HN  ))
      4.300     2.300     1.700 peak  1191 spectrum    1 weight  0.10000E+01 volume  0.66897E-03 ppm1      9.407 ppm2      7.944 CV     1
 ASSI { 1192}
   (( segid " 1SG" and resid 9    and name HN  ))
   (  segid " 1SG" and resid 7    and name HD% )
      4.000     2.000     2.000 peak  1192 spectrum    1 weight  0.10000E+01 volume  0.66834E-03 ppm1      7.892 ppm2      7.309 CV     1
 ASSI { 1193}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 96   and name HG1 ))
      4.600     2.600     1.400 peak  1193 spectrum    1 weight  0.10000E+01 volume  0.66570E-03 ppm1      7.973 ppm2      1.317 CV     1
 OR { 1193}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 96   and name HG2 ))
 ASSI { 1194}
   (( segid " 1SG" and resid 60   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD2%)
      4.500     2.500     1.500 peak  1194 spectrum    1 weight  0.10000E+01 volume  0.66375E-03 ppm1      8.688 ppm2      0.407 CV     1
 OR { 1194}
   (( segid " 1SG" and resid 60   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI { 1199}
   (( segid " 1SG" and resid 70   and name HN  ))
   (( segid " 1SG" and resid 29   and name HA  ))
      4.100     2.100     1.900 peak  1199 spectrum    1 weight  0.10000E+01 volume  0.66306E-03 ppm1      9.269 ppm2      4.385 CV     1
 ASSI { 1201}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 81   and name HA  ))
      5.300     3.500     0.700 peak  1201 spectrum    1 weight  0.10000E+01 volume  0.66174E-03 ppm1      8.150 ppm2      3.988 CV     1
 ASSI { 1205}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (  segid " 1SG" and resid 74   and name HD2%)
      4.300     2.300     1.700 peak  1205 spectrum    1 weight  0.10000E+01 volume  0.66055E-03 ppm1     10.782 ppm2      0.402 CV     1
 OR { 1205}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI { 1207}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 49   and name HB2 ))
      3.300     1.400     1.400 peak  1207 spectrum    1 weight  0.10000E+01 volume  0.65916E-03 ppm1      8.941 ppm2      1.554 CV     1
 ASSI { 1210}
   (( segid " 1SG" and resid 29   and name HN  ))
   (( segid " 1SG" and resid 28   and name HB  ))
      4.200     2.200     1.800 peak  1210 spectrum    1 weight  0.10000E+01 volume  0.65602E-03 ppm1      8.854 ppm2      1.961 CV     1
 ASSI { 1211}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 82   and name HN  ))
      3.400     1.400     1.400 peak  1211 spectrum    1 weight  0.10000E+01 volume  0.65584E-03 ppm1      8.254 ppm2      8.025 CV     1
 ASSI { 1214}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 15   and name HB1 ))
      4.800     2.900     1.200 peak  1214 spectrum    1 weight  0.10000E+01 volume  0.65200E-03 ppm1      8.404 ppm2      2.024 CV     1
 OR { 1214}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 15   and name HB2 ))
 ASSI { 1217}
   (( segid " 1SG" and resid 76   and name HN  ))
   (( segid " 1SG" and resid 77   and name HN  ))
      4.100     2.100     1.900 peak  1217 spectrum    1 weight  0.10000E+01 volume  0.65006E-03 ppm1      8.925 ppm2      8.720 CV     1
 ASSI { 1218}
   (( segid " 1SG" and resid 80   and name HE21))
   (( segid " 1SG" and resid 80   and name HA  ))
      3.800     1.800     1.800 peak  1218 spectrum    1 weight  0.10000E+01 volume  0.64886E-03 ppm1      6.979 ppm2      4.637 CV     1
 ASSI { 1219}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 26   and name HN  ))
      4.300     2.300     1.700 peak  1219 spectrum    1 weight  0.10000E+01 volume  0.64874E-03 ppm1      8.401 ppm2      9.500 CV     1
 ASSI { 1222}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 93   and name HB  ))
      3.600     1.700     1.700 peak  1222 spectrum    1 weight  0.10000E+01 volume  0.64629E-03 ppm1      7.972 ppm2      4.556 CV     1
 ASSI { 1223}
   (( segid " 1SG" and resid 98   and name HN  ))
   (( segid " 1SG" and resid 97   and name HB2 ))
      4.500     2.500     1.500 peak  1223 spectrum    1 weight  0.10000E+01 volume  0.64585E-03 ppm1      8.414 ppm2      2.674 CV     1
 ASSI { 1224}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 68   and name HG1 ))
      4.800     2.900     1.200 peak  1224 spectrum    1 weight  0.10000E+01 volume  0.64547E-03 ppm1      7.423 ppm2      1.256 CV     1
 OR { 1224}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 68   and name HG2 ))
 ASSI { 1225}
   (( segid " 1SG" and resid 96   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD1%)
      4.100     2.100     1.900 peak  1225 spectrum    1 weight  0.10000E+01 volume  0.64497E-03 ppm1      7.544 ppm2      0.653 CV     1
 ASSI { 1226}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 60   and name HB2 ))
      3.700     1.700     1.700 peak  1226 spectrum    1 weight  0.10000E+01 volume  0.64358E-03 ppm1      9.449 ppm2      2.977 CV     1
 ASSI { 1228}
   (( segid " 1SG" and resid 108  and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.700     1.800     1.800 peak  1228 spectrum    1 weight  0.10000E+01 volume  0.64095E-03 ppm1      8.564 ppm2      0.370 CV     1
 ASSI { 1230}
   (( segid " 1SG" and resid 30   and name HN  ))
   (( segid " 1SG" and resid 70   and name HN  ))
      4.000     2.000     2.000 peak  1230 spectrum    1 weight  0.10000E+01 volume  0.63818E-03 ppm1      8.593 ppm2      9.275 CV     1
 ASSI { 1231}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 24   and name HN  ))
      4.400     2.400     1.600 peak  1231 spectrum    1 weight  0.10000E+01 volume  0.63806E-03 ppm1      8.400 ppm2      9.240 CV     1
 ASSI { 1232}
   (( segid " 1SG" and resid 83   and name HN  ))
   (  segid " 1SG" and resid 83   and name HE% )
      4.900     3.000     1.100 peak  1232 spectrum    1 weight  0.10000E+01 volume  0.63793E-03 ppm1      8.256 ppm2      7.263 CV     1
 ASSI { 1238}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 58   and name HG2 ))
      4.600     2.600     1.400 peak  1238 spectrum    1 weight  0.10000E+01 volume  0.63391E-03 ppm1      9.148 ppm2      1.803 CV     1
 ASSI { 1239}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 40   and name HD2 ))
      4.300     2.300     1.700 peak  1239 spectrum    1 weight  0.10000E+01 volume  0.63234E-03 ppm1      9.110 ppm2      1.698 CV     1
 OR { 1239}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 40   and name HD1 ))
 ASSI { 1241}
   (( segid " 1SG" and resid 108  and name HN  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      4.300     2.300     1.700 peak  1241 spectrum    1 weight  0.10000E+01 volume  0.63196E-03 ppm1      8.565 ppm2      1.285 CV     1
 ASSI { 1245}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 41   and name HD1 ))
      4.000     2.000     2.000 peak  1245 spectrum    1 weight  0.10000E+01 volume  0.63014E-03 ppm1      8.690 ppm2      7.122 CV     1
 ASSI { 1247}
   (( segid " 1SG" and resid 58   and name HE22))
   (( segid " 1SG" and resid 77   and name HB  ))
      4.400     2.400     1.600 peak  1247 spectrum    1 weight  0.10000E+01 volume  0.62945E-03 ppm1      6.686 ppm2      4.009 CV     1
 ASSI { 1249}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 7    and name HB2 ))
      3.100     3.100     2.900 peak  1249 spectrum    1 weight  0.10000E+01 volume  0.62869E-03 ppm1      9.229 ppm2      2.578 CV     1
 ASSI { 1250}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 77   and name HN  ))
      5.100     3.300     0.900 peak  1250 spectrum    1 weight  0.10000E+01 volume  0.62838E-03 ppm1      8.944 ppm2      8.717 CV     1
 ASSI { 1258}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 74   and name HN  ))
      4.400     2.400     1.600 peak  1258 spectrum    1 weight  0.10000E+01 volume  0.62374E-03 ppm1      9.450 ppm2      8.472 CV     1
 ASSI { 1260}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 42   and name HB2 ))
      4.600     2.700     1.400 peak  1260 spectrum    1 weight  0.10000E+01 volume  0.62268E-03 ppm1      9.287 ppm2      2.479 CV     1
 ASSI { 1263}
   (( segid " 1SG" and resid 73   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD2%)
      4.400     2.400     1.600 peak  1263 spectrum    1 weight  0.10000E+01 volume  0.61998E-03 ppm1      9.448 ppm2      0.742 CV     1
 ASSI { 1264}
   (( segid " 1SG" and resid 80   and name HE22))
   (( segid " 1SG" and resid 80   and name HA  ))
      5.200     3.400     0.800 peak  1264 spectrum    1 weight  0.10000E+01 volume  0.61887E-03 ppm1      6.643 ppm2      4.635 CV     1
 ASSI { 1268}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 89   and name HA  ))
      3.600     1.600     1.600 peak  1268 spectrum    1 weight  0.10000E+01 volume  0.61789E-03 ppm1      8.977 ppm2      4.944 CV     1
 ASSI { 1269}
   (( segid " 1SG" and resid 73   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD1%)
      4.000     2.000     2.000 peak  1269 spectrum    1 weight  0.10000E+01 volume  0.61781E-03 ppm1      9.452 ppm2      0.839 CV     1
 ASSI { 1270}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 57   and name HG  ))
      4.800     2.800     1.200 peak  1270 spectrum    1 weight  0.10000E+01 volume  0.61760E-03 ppm1      9.018 ppm2      0.750 CV     1
 ASSI { 1272}
   (( segid " 1SG" and resid 53   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD1%)
      4.900     3.000     1.100 peak  1272 spectrum    1 weight  0.10000E+01 volume  0.61680E-03 ppm1      6.765 ppm2      0.861 CV     1
 ASSI { 1273}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 98   and name HB2 ))
      4.400     2.500     1.600 peak  1273 spectrum    1 weight  0.10000E+01 volume  0.61636E-03 ppm1      9.229 ppm2      2.289 CV     1
 ASSI { 1274}
   (( segid " 1SG" and resid 16   and name HN  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      4.500     2.500     1.500 peak  1274 spectrum    1 weight  0.10000E+01 volume  0.61602E-03 ppm1      8.594 ppm2      1.286 CV     1
 ASSI { 1276}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 71   and name HA  ))
      4.100     2.100     1.900 peak  1276 spectrum    1 weight  0.10000E+01 volume  0.61545E-03 ppm1      9.674 ppm2      5.062 CV     1
 ASSI { 1277}
   (( segid " 1SG" and resid 76   and name HN  ))
   (( segid " 1SG" and resid 75   and name HN  ))
      4.100     2.100     1.900 peak  1277 spectrum    1 weight  0.10000E+01 volume  0.61533E-03 ppm1      8.928 ppm2      9.150 CV     1
 ASSI { 1285}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 17   and name HN  ))
      3.800     1.800     1.800 peak  1285 spectrum    1 weight  0.10000E+01 volume  0.60723E-03 ppm1      8.829 ppm2      7.897 CV     1
 ASSI { 1286}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 65   and name HA  ))
      4.000     2.000     2.000 peak  1286 spectrum    1 weight  0.10000E+01 volume  0.60720E-03 ppm1      7.422 ppm2      3.445 CV     1
 ASSI { 1287}
   (( segid " 1SG" and resid 22   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      4.400     2.400     1.600 peak  1287 spectrum    1 weight  0.10000E+01 volume  0.60717E-03 ppm1      8.892 ppm2      1.182 CV     1
 ASSI { 1288}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 67   and name HA  ))
      5.000     3.100     1.000 peak  1288 spectrum    1 weight  0.10000E+01 volume  0.60680E-03 ppm1      8.107 ppm2      4.299 CV     1
 ASSI { 1290}
   (( segid " 1SG" and resid 70   and name HN  ))
   (( segid " 1SG" and resid 28   and name HB  ))
      3.800     1.800     1.800 peak  1290 spectrum    1 weight  0.10000E+01 volume  0.60661E-03 ppm1      9.273 ppm2      1.954 CV     1
 ASSI { 1292}
   (( segid " 1SG" and resid 101  and name HD22))
   (( segid " 1SG" and resid 101  and name HB2 ))
      4.400     2.400     1.600 peak  1292 spectrum    1 weight  0.10000E+01 volume  0.60456E-03 ppm1      6.724 ppm2      2.692 CV     1
 ASSI { 1295}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 83   and name HA  ))
      3.800     1.800     1.800 peak  1295 spectrum    1 weight  0.10000E+01 volume  0.60211E-03 ppm1     10.109 ppm2      4.613 CV     1
 ASSI { 1296}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB1 ))
      4.500     2.600     1.500 peak  1296 spectrum    1 weight  0.10000E+01 volume  0.60202E-03 ppm1      9.024 ppm2      2.399 CV     1
 OR { 1296}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB2 ))
 ASSI { 1298}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 37   and name HB2 ))
      4.300     2.300     1.700 peak  1298 spectrum    1 weight  0.10000E+01 volume  0.60154E-03 ppm1      8.737 ppm2      1.365 CV     1
 OR { 1298}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 37   and name HG2 ))
 ASSI { 1299}
   (( segid " 1SG" and resid 7    and name HN  ))
   (  segid " 1SG" and resid 6    and name HD1%)
      4.700     2.800     1.300 peak  1299 spectrum    1 weight  0.10000E+01 volume  0.60137E-03 ppm1      8.875 ppm2      0.650 CV     1
 ASSI { 1301}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 106  and name HN  ))
      4.400     2.400     1.600 peak  1301 spectrum    1 weight  0.10000E+01 volume  0.60121E-03 ppm1      8.826 ppm2      8.159 CV     1
 ASSI { 1302}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 84   and name HA  ))
      4.100     2.200     1.900 peak  1302 spectrum    1 weight  0.10000E+01 volume  0.59998E-03 ppm1      8.799 ppm2      4.230 CV     1
 OR { 1302}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 84   and name HB  ))
 ASSI { 1309}
   (( segid " 1SG" and resid 48   and name HN  ))
   (( segid " 1SG" and resid 47   and name HN  ))
      4.300     2.300     1.700 peak  1309 spectrum    1 weight  0.10000E+01 volume  0.59464E-03 ppm1      8.396 ppm2      7.292 CV     1
 ASSI { 1310}
   (( segid " 1SG" and resid 93   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD1%)
      4.300     2.300     1.700 peak  1310 spectrum    1 weight  0.10000E+01 volume  0.59450E-03 ppm1      8.555 ppm2      0.652 CV     1
 ASSI { 1311}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 46   and name HB2 ))
      4.400     2.400     1.600 peak  1311 spectrum    1 weight  0.10000E+01 volume  0.59419E-03 ppm1     10.115 ppm2      3.057 CV     1
 ASSI { 1312}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      4.300     2.300     1.700 peak  1312 spectrum    1 weight  0.10000E+01 volume  0.59295E-03 ppm1      9.149 ppm2      1.436 CV     1
 ASSI { 1314}
   (( segid " 1SG" and resid 42   and name HN  ))
   (( segid " 1SG" and resid 41   and name HN  ))
      4.600     2.700     1.400 peak  1314 spectrum    1 weight  0.10000E+01 volume  0.59153E-03 ppm1      9.445 ppm2      9.310 CV     1
 ASSI { 1315}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 101  and name HA  ))
      4.000     2.000     2.000 peak  1315 spectrum    1 weight  0.10000E+01 volume  0.59143E-03 ppm1      8.979 ppm2      5.507 CV     1
 ASSI { 1317}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 45   and name HA  ))
      4.600     2.600     1.400 peak  1317 spectrum    1 weight  0.10000E+01 volume  0.58927E-03 ppm1     10.118 ppm2      3.497 CV     1
 ASSI { 1319}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 57   and name HA  ))
      4.100     2.100     1.900 peak  1319 spectrum    1 weight  0.10000E+01 volume  0.58841E-03 ppm1      9.150 ppm2      5.401 CV     1
 ASSI { 1320}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 45   and name HE2 ))
      4.200     2.200     1.800 peak  1320 spectrum    1 weight  0.10000E+01 volume  0.58816E-03 ppm1     10.108 ppm2      2.594 CV     1
 ASSI { 1323}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 58   and name HA  ))
      4.000     2.000     2.000 peak  1323 spectrum    1 weight  0.10000E+01 volume  0.58658E-03 ppm1      7.436 ppm2      4.650 CV     1
 ASSI { 1325}
   (( segid " 1SG" and resid 10   and name HN  ))
   (( segid " 1SG" and resid 10   and name HA  ))
      3.600     1.600     1.600 peak  1325 spectrum    1 weight  0.10000E+01 volume  0.58479E-03 ppm1      8.852 ppm2      4.315 CV     1
 ASSI { 1332}
   (( segid " 1SG" and resid 80   and name HN  ))
   (( segid " 1SG" and resid 80   and name HG2 ))
      4.600     2.700     1.400 peak  1332 spectrum    1 weight  0.10000E+01 volume  0.58110E-03 ppm1      5.579 ppm2      2.159 CV     1
 OR { 1332}
   (( segid " 1SG" and resid 80   and name HN  ))
   (( segid " 1SG" and resid 80   and name HG1 ))
 ASSI { 1333}
   (( segid " 1SG" and resid 21   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      4.100     2.100     1.900 peak  1333 spectrum    1 weight  0.10000E+01 volume  0.58038E-03 ppm1      8.168 ppm2      1.177 CV     1
 ASSI { 1335}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 89   and name HA  ))
      4.400     2.400     1.600 peak  1335 spectrum    1 weight  0.10000E+01 volume  0.57897E-03 ppm1      8.689 ppm2      4.943 CV     1
 ASSI { 1341}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 88   and name HA  ))
      3.500     1.500     1.500 peak  1341 spectrum    1 weight  0.10000E+01 volume  0.57336E-03 ppm1      9.108 ppm2      5.308 CV     1
 ASSI { 1347}
   (( segid " 1SG" and resid 29   and name HN  ))
   (( segid " 1SG" and resid 30   and name HN  ))
      3.300     1.400     1.400 peak  1347 spectrum    1 weight  0.10000E+01 volume  0.34998E-02 ppm1      8.854 ppm2      8.595 CV     1
 ASSI { 1348}
   (( segid " 1SG" and resid 102  and name HN  ))
   (( segid " 1SG" and resid 103  and name HN  ))
      3.200     1.200     1.200 peak  1348 spectrum    1 weight  0.10000E+01 volume  0.35017E-02 ppm1      8.557 ppm2      9.245 CV     1
 ASSI { 1349}
   (( segid " 1SG" and resid 42   and name HN  ))
   (( segid " 1SG" and resid 42   and name HA  ))
      2.700     0.900     0.900 peak  1349 spectrum    1 weight  0.10000E+01 volume  0.34998E-02 ppm1      9.447 ppm2      5.780 CV     1
 ASSI { 1351}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 14   and name HN  ))
      3.300     1.400     1.400 peak  1351 spectrum    1 weight  0.10000E+01 volume  0.34998E-02 ppm1      8.317 ppm2      9.191 CV     1
 ASSI { 1352}
   (( segid " 1SG" and resid 94   and name HN  ))
   (( segid " 1SG" and resid 94   and name HB2 ))
      3.200     1.300     1.300 peak  1352 spectrum    1 weight  0.10000E+01 volume  0.34998E-02 ppm1      8.330 ppm2      1.778 CV     1
 ASSI { 1353}
   (( segid " 1SG" and resid 93   and name HN  ))
   (( segid " 1SG" and resid 93   and name HB  ))
      2.700     0.900     0.900 peak  1353 spectrum    1 weight  0.10000E+01 volume  0.34998E-02 ppm1      8.558 ppm2      4.550 CV     1
 ASSI { 1356}
   (( segid " 1SG" and resid 56   and name HN  ))
   (( segid " 1SG" and resid 56   and name HA  ))
      2.800     1.000     1.000 peak  1356 spectrum    1 weight  0.10000E+01 volume  0.34998E-02 ppm1      8.385 ppm2      4.970 CV     1
 ASSI { 1360}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 98   and name HN  ))
      3.400     1.400     1.400 peak  1360 spectrum    1 weight  0.10000E+01 volume  0.34998E-02 ppm1      8.056 ppm2      8.423 CV     1
 ASSI { 1361}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 104  and name HN  ))
      3.300     1.300     1.300 peak  1361 spectrum    1 weight  0.10000E+01 volume  0.35017E-02 ppm1      9.242 ppm2      8.788 CV     1
 ASSI { 1362}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 96   and name HN  ))
      3.100     1.200     1.200 peak  1362 spectrum    1 weight  0.10000E+01 volume  0.34998E-02 ppm1      8.059 ppm2      7.543 CV     1
 ASSI { 1363}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB2 ))
      3.500     3.500     2.500 peak  1363 spectrum    1 weight  0.10000E+01 volume  0.35035E-02 ppm1      9.288 ppm2      1.696 CV     1
 OR { 1363}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB1 ))
 ASSI { 1365}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 35   and name HB1 ))
      3.100     1.200     1.200 peak  1365 spectrum    1 weight  0.10000E+01 volume  0.35035E-02 ppm1      7.510 ppm2      1.779 CV     1
 OR { 1365}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 35   and name HB2 ))
 ASSI { 1366}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 35   and name HE1 ))
      3.600     1.600     1.600 peak  1366 spectrum    1 weight  0.10000E+01 volume  0.35035E-02 ppm1      7.510 ppm2      2.950 CV     1
 OR { 1366}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 35   and name HE2 ))
 ASSI { 1367}
   (( segid " 1SG" and resid 45   and name HN  ))
   (( segid " 1SG" and resid 45   and name HA  ))
      2.800     1.000     1.000 peak  1367 spectrum    1 weight  0.10000E+01 volume  0.35035E-02 ppm1      8.196 ppm2      3.486 CV     1
 ASSI { 1369}
   (( segid " 1SG" and resid 45   and name HN  ))
   (( segid " 1SG" and resid 45   and name HB2 ))
      2.600     0.800     0.800 peak  1369 spectrum    1 weight  0.10000E+01 volume  0.35035E-02 ppm1      8.195 ppm2      0.606 CV     1
 OR { 1369}
   (( segid " 1SG" and resid 45   and name HN  ))
   (( segid " 1SG" and resid 45   and name HG2 ))
 ASSI { 1371}
   (( segid " 1SG" and resid 94   and name HN  ))
   (( segid " 1SG" and resid 94   and name HA  ))
      2.600     0.800     0.800 peak  1371 spectrum    1 weight  0.10000E+01 volume  0.35035E-02 ppm1      8.337 ppm2      4.042 CV     1
 ASSI { 1373}
   (( segid " 1SG" and resid 18   and name HN  ))
   (  segid " 1SG" and resid 18   and name HG1%)
      3.300     1.400     1.400 peak  1373 spectrum    1 weight  0.10000E+01 volume  0.35035E-02 ppm1      8.005 ppm2      0.992 CV     1
 ASSI { 1374}
   (( segid " 1SG" and resid 53   and name HN  ))
   (  segid " 1SG" and resid 53   and name HG1%)
      3.500     1.500     1.500 peak  1374 spectrum    1 weight  0.10000E+01 volume  0.35035E-02 ppm1      6.764 ppm2      1.120 CV     1
 ASSI { 1376}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 21   and name HB2 ))
      3.700     1.700     1.700 peak  1376 spectrum    1 weight  0.10000E+01 volume  0.35017E-02 ppm1      8.053 ppm2      3.751 CV     1
 ASSI { 1379}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 62   and name HN  ))
      3.600     1.600     1.600 peak  1379 spectrum    1 weight  0.10000E+01 volume  0.34998E-02 ppm1      9.447 ppm2      8.851 CV     1
 ASSI { 1380}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 64   and name HN  ))
      3.200     1.200     1.200 peak  1380 spectrum    1 weight  0.10000E+01 volume  0.34998E-02 ppm1      8.721 ppm2      7.751 CV     1
 ASSI { 1381}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 87   and name HN  ))
      3.200     1.200     1.200 peak  1381 spectrum    1 weight  0.10000E+01 volume  0.34998E-02 ppm1      8.792 ppm2      9.113 CV     1
 ASSI { 1384}
   (( segid " 1SG" and resid 98   and name HN  ))
   (( segid " 1SG" and resid 98   and name HA  ))
      2.800     1.000     1.000 peak  1384 spectrum    1 weight  0.10000E+01 volume  0.34998E-02 ppm1      8.417 ppm2      4.696 CV     1
 ASSI { 1385}
   (( segid " 1SG" and resid 80   and name HN  ))
   (( segid " 1SG" and resid 80   and name HA  ))
      2.600     0.900     0.900 peak  1385 spectrum    1 weight  0.10000E+01 volume  0.34998E-02 ppm1      5.581 ppm2      4.644 CV     1
 ASSI { 1386}
   (( segid " 1SG" and resid 12   and name HN  ))
   (( segid " 1SG" and resid 12   and name HA  ))
      2.800     1.000     1.000 peak  1386 spectrum    1 weight  0.10000E+01 volume  0.34998E-02 ppm1      8.345 ppm2      4.679 CV     1
 ASSI { 1391}
   (( segid " 1SG" and resid 101  and name HN  ))
   (( segid " 1SG" and resid 101  and name HA  ))
      2.700     0.900     0.900 peak  1391 spectrum    1 weight  0.10000E+01 volume  0.34998E-02 ppm1      9.044 ppm2      5.506 CV     1
 ASSI { 1393}
   (( segid " 1SG" and resid 91   and name HN  ))
   (( segid " 1SG" and resid 90   and name HA  ))
      2.600     0.800     0.800 peak  1393 spectrum    1 weight  0.10000E+01 volume  0.34998E-02 ppm1      8.474 ppm2      4.789 CV     1
 ASSI { 1395}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 49   and name HN  ))
      2.900     1.000     1.000 peak  1395 spectrum    1 weight  0.10000E+01 volume  0.34998E-02 ppm1      8.632 ppm2      9.291 CV     1
 ASSI { 1397}
   (( segid " 1SG" and resid 33   and name HN  ))
   (( segid " 1SG" and resid 33   and name HA  ))
      2.800     1.000     1.000 peak  1397 spectrum    1 weight  0.10000E+01 volume  0.34998E-02 ppm1      7.614 ppm2      4.456 CV     1
 ASSI { 1398}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 40   and name HN  ))
      3.300     1.300     1.300 peak  1398 spectrum    1 weight  0.10000E+01 volume  0.34998E-02 ppm1      9.308 ppm2      8.696 CV     1
 ASSI { 1399}
   (( segid " 1SG" and resid 6    and name HN  ))
   (( segid " 1SG" and resid 5    and name HN  ))
      2.500     0.800     0.800 peak  1399 spectrum    1 weight  0.10000E+01 volume  0.35017E-02 ppm1      8.450 ppm2      8.143 CV     1
 ASSI { 1400}
   (( segid " 1SG" and resid 8    and name HN  ))
   (( segid " 1SG" and resid 29   and name HN  ))
      2.800     1.000     1.000 peak  1400 spectrum    1 weight  0.10000E+01 volume  0.35017E-02 ppm1      9.053 ppm2      8.853 CV     1
 ASSI { 1401}
   (( segid " 1SG" and resid 7    and name HN  ))
   (( segid " 1SG" and resid 8    and name HN  ))
      3.000     1.100     1.100 peak  1401 spectrum    1 weight  0.10000E+01 volume  0.35017E-02 ppm1      8.874 ppm2      9.052 CV     1
 ASSI { 1403}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 103  and name HN  ))
      3.200     1.300     1.300 peak  1403 spectrum    1 weight  0.10000E+01 volume  0.35017E-02 ppm1      8.312 ppm2      9.240 CV     1
 ASSI { 1406}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 48   and name HN  ))
      3.200     1.300     1.300 peak  1406 spectrum    1 weight  0.10000E+01 volume  0.35017E-02 ppm1      9.290 ppm2      8.397 CV     1
 ASSI { 1407}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 50   and name HN  ))
      3.300     1.400     1.400 peak  1407 spectrum    1 weight  0.10000E+01 volume  0.35017E-02 ppm1      7.786 ppm2      8.941 CV     1
 ASSI { 1408}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 51   and name HN  ))
      3.500     1.500     1.500 peak  1408 spectrum    1 weight  0.10000E+01 volume  0.35017E-02 ppm1      6.764 ppm2      7.881 CV     1
 ASSI { 1409}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 51   and name HA  ))
      3.000     1.100     1.100 peak  1409 spectrum    1 weight  0.10000E+01 volume  0.35017E-02 ppm1      7.784 ppm2      4.557 CV     1
 ASSI { 1411}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 58   and name HN  ))
      3.200     1.300     1.300 peak  1411 spectrum    1 weight  0.10000E+01 volume  0.35017E-02 ppm1      7.198 ppm2      8.954 CV     1
 ASSI { 1412}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 60   and name HN  ))
      3.200     1.300     1.300 peak  1412 spectrum    1 weight  0.10000E+01 volume  0.35017E-02 ppm1      9.151 ppm2      8.693 CV     1
 ASSI { 1413}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 64   and name HN  ))
      3.400     1.500     1.500 peak  1413 spectrum    1 weight  0.10000E+01 volume  0.35017E-02 ppm1      8.305 ppm2      7.754 CV     1
 ASSI { 1414}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 70   and name HN  ))
      3.200     1.300     1.300 peak  1414 spectrum    1 weight  0.10000E+01 volume  0.35017E-02 ppm1      8.724 ppm2      9.271 CV     1
 ASSI { 1417}
   (( segid " 1SG" and resid 72   and name HN  ))
   (( segid " 1SG" and resid 28   and name HN  ))
      3.300     1.400     1.400 peak  1417 spectrum    1 weight  0.10000E+01 volume  0.35017E-02 ppm1      9.295 ppm2      9.670 CV     1
 ASSI { 1419}
   (( segid " 1SG" and resid 76   and name HN  ))
   (( segid " 1SG" and resid 76   and name HA  ))
      2.600     0.800     0.800 peak  1419 spectrum    1 weight  0.10000E+01 volume  0.35017E-02 ppm1      8.925 ppm2      4.988 CV     1
 ASSI { 1420}
   (( segid " 1SG" and resid 84   and name HN  ))
   (( segid " 1SG" and resid 83   and name HA  ))
      2.800     1.000     1.000 peak  1420 spectrum    1 weight  0.10000E+01 volume  0.35017E-02 ppm1      7.866 ppm2      4.601 CV     1
 ASSI { 1422}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 100  and name HN  ))
      2.700     0.900     0.900 peak  1422 spectrum    1 weight  0.10000E+01 volume  0.35017E-02 ppm1      8.979 ppm2      8.906 CV     1
 ASSI { 1423}
   (( segid " 1SG" and resid 91   and name HN  ))
   (( segid " 1SG" and resid 91   and name HA  ))
      2.600     0.900     0.900 peak  1423 spectrum    1 weight  0.10000E+01 volume  0.35017E-02 ppm1      8.474 ppm2      4.739 CV     1
 ASSI { 1426}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 15   and name HA  ))
      2.500     0.800     0.800 peak  1426 spectrum    1 weight  0.10000E+01 volume  0.35017E-02 ppm1      8.399 ppm2      5.489 CV     1
 ASSI { 1428}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 104  and name HN  ))
      3.200     1.300     1.300 peak  1428 spectrum    1 weight  0.10000E+01 volume  0.35017E-02 ppm1      8.400 ppm2      8.792 CV     1
 ASSI { 1429}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 105  and name HN  ))
      2.900     1.100     1.100 peak  1429 spectrum    1 weight  0.10000E+01 volume  0.35017E-02 ppm1      8.150 ppm2      8.402 CV     1
 ASSI { 1430}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 85   and name HN  ))
      3.100     1.200     1.200 peak  1430 spectrum    1 weight  0.10000E+01 volume  0.35017E-02 ppm1      8.149 ppm2      9.408 CV     1
 ASSI { 1433}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 106  and name HA  ))
      2.600     0.800     0.800 peak  1433 spectrum    1 weight  0.10000E+01 volume  0.35017E-02 ppm1      8.151 ppm2      4.725 CV     1
 ASSI { 1434}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 65   and name HA  ))
      3.000     1.100     1.100 peak  1434 spectrum    1 weight  0.10000E+01 volume  0.35017E-02 ppm1      6.900 ppm2      3.449 CV     1
 ASSI { 1435}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 78   and name HN  ))
      3.800     1.800     1.800 peak  1435 spectrum    1 weight  0.10000E+01 volume  0.35017E-02 ppm1      8.889 ppm2      8.054 CV     1
 ASSI { 1437}
   (( segid " 1SG" and resid 19   and name HN  ))
   (( segid " 1SG" and resid 20   and name HA1 ))
      3.800     1.800     1.800 peak  1437 spectrum    1 weight  0.10000E+01 volume  0.35017E-02 ppm1      9.827 ppm2      3.729 CV     1
 ASSI { 1438}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 37   and name HA  ))
      3.300     1.300     1.300 peak  1438 spectrum    1 weight  0.10000E+01 volume  0.35017E-02 ppm1      8.735 ppm2      4.487 CV     1
 ASSI { 1439}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 39   and name HA  ))
      3.300     1.300     1.300 peak  1439 spectrum    1 weight  0.10000E+01 volume  0.35017E-02 ppm1      8.735 ppm2      4.801 CV     1
 ASSI { 1440}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 43   and name HA  ))
      3.200     1.200     1.200 peak  1440 spectrum    1 weight  0.10000E+01 volume  0.35017E-02 ppm1      9.108 ppm2      4.132 CV     1
 ASSI { 1441}
   (( segid " 1SG" and resid 86   and name HN  ))
   (( segid " 1SG" and resid 103  and name HA  ))
      3.200     1.300     1.300 peak  1441 spectrum    1 weight  0.10000E+01 volume  0.35017E-02 ppm1      7.948 ppm2      5.544 CV     1
 ASSI { 1442}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 48   and name HA  ))
      2.700     0.900     0.900 peak  1442 spectrum    1 weight  0.10000E+01 volume  0.35017E-02 ppm1      8.628 ppm2      4.192 CV     1
 ASSI { 1443}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 86   and name HA2 ))
      3.000     1.100     1.100 peak  1443 spectrum    1 weight  0.10000E+01 volume  0.35017E-02 ppm1      8.796 ppm2      4.658 CV     1
 ASSI { 1445}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 102  and name HA  ))
      3.000     1.100     1.100 peak  1445 spectrum    1 weight  0.10000E+01 volume  0.35017E-02 ppm1      8.313 ppm2      4.987 CV     1
 ASSI { 1446}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 9    and name HB2 ))
      2.900     1.000     1.000 peak  1446 spectrum    1 weight  0.10000E+01 volume  0.35035E-02 ppm1      7.887 ppm2      1.892 CV     1
 ASSI { 1447}
   (( segid " 1SG" and resid 80   and name HN  ))
   (( segid " 1SG" and resid 80   and name HB2 ))
      2.600     0.800     0.800 peak  1447 spectrum    1 weight  0.10000E+01 volume  0.35035E-02 ppm1      5.579 ppm2      1.960 CV     1
 OR { 1447}
   (( segid " 1SG" and resid 80   and name HN  ))
   (( segid " 1SG" and resid 80   and name HB1 ))
 ASSI { 1448}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 23   and name HN  ))
      3.200     1.300     1.300 peak  1448 spectrum    1 weight  0.10000E+01 volume  0.35035E-02 ppm1      9.239 ppm2      7.917 CV     1
 ASSI { 1449}
   (( segid " 1SG" and resid 42   and name HN  ))
   (( segid " 1SG" and resid 41   and name HD1 ))
      3.700     3.700     2.300 peak  1449 spectrum    1 weight  0.10000E+01 volume  0.35035E-02 ppm1      9.447 ppm2      7.131 CV     1
 ASSI { 1450}
   (( segid " 1SG" and resid 46   and name HN  ))
   (( segid " 1SG" and resid 46   and name HD1 ))
      2.600     0.900     0.900 peak  1450 spectrum    1 weight  0.10000E+01 volume  0.35035E-02 ppm1      8.216 ppm2      7.132 CV     1
 ASSI { 1452}
   (( segid " 1SG" and resid 56   and name HN  ))
   (( segid " 1SG" and resid 56   and name HB2 ))
      3.300     1.400     1.400 peak  1452 spectrum    1 weight  0.10000E+01 volume  0.35035E-02 ppm1      8.383 ppm2      3.101 CV     1
 ASSI { 1453}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 103  and name HB2 ))
      3.100     3.100     2.900 peak  1453 spectrum    1 weight  0.10000E+01 volume  0.35035E-02 ppm1      9.184 ppm2      2.498 CV     1
 ASSI { 1455}
   (( segid " 1SG" and resid 86   and name HN  ))
   (  segid " 1SG" and resid 87   and name HD% )
      2.900     1.100     1.100 peak  1455 spectrum    1 weight  0.10000E+01 volume  0.35035E-02 ppm1      7.948 ppm2      6.794 CV     1
 ASSI { 1456}
   (( segid " 1SG" and resid 86   and name HN  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      3.100     3.100     2.900 peak  1456 spectrum    1 weight  0.10000E+01 volume  0.35035E-02 ppm1      7.946 ppm2      1.498 CV     1
 ASSI { 1458}
   (( segid " 1SG" and resid 5    and name HN  ))
   (( segid " 1SG" and resid 96   and name HB2 ))
      3.300     1.300     1.300 peak  1458 spectrum    1 weight  0.10000E+01 volume  0.35035E-02 ppm1      8.144 ppm2      1.572 CV     1
 ASSI { 1459}
   (( segid " 1SG" and resid 5    and name HN  ))
   (( segid " 1SG" and resid 4    and name HG12))
      3.700     1.700     1.700 peak  1459 spectrum    1 weight  0.10000E+01 volume  0.35035E-02 ppm1      8.143 ppm2      1.230 CV     1
 ASSI { 1460}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 64   and name HB2 ))
      3.500     1.500     1.500 peak  1460 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      7.421 ppm2      2.339 CV     1
 ASSI { 1461}
   (( segid " 1SG" and resid 20   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.500     1.500     1.500 peak  1461 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      8.824 ppm2      0.376 CV     1
 ASSI { 1462}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 18   and name HN  ))
      3.200     3.200     2.800 peak  1462 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      8.828 ppm2      8.005 CV     1
 ASSI { 1463}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 63   and name HN  ))
      3.300     1.400     1.400 peak  1463 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      8.848 ppm2      8.521 CV     1
 ASSI { 1465}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 95   and name HB2 ))
      2.600     0.900     0.900 peak  1465 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      7.971 ppm2      2.631 CV     1
 ASSI { 1466}
   (( segid " 1SG" and resid 95   and name HN  ))
   (  segid " 1SG" and resid 93   and name HG2%)
      3.100     1.200     1.200 peak  1466 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      7.969 ppm2      1.024 CV     1
 ASSI { 1468}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 80   and name HG1 ))
      2.900     1.000     1.000 peak  1468 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      8.254 ppm2      2.168 CV     1
 OR { 1468}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 80   and name HG2 ))
 ASSI { 1469}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 106  and name HB  ))
      3.300     1.400     1.400 peak  1469 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      8.253 ppm2      1.861 CV     1
 ASSI { 1471}
   (( segid " 1SG" and resid 83   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.200     1.300     1.300 peak  1471 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      8.254 ppm2      0.372 CV     1
 ASSI { 1472}
   (( segid " 1SG" and resid 93   and name HN  ))
   (  segid " 1SG" and resid 97   and name HD% )
      3.200     1.300     1.300 peak  1472 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      8.557 ppm2      7.094 CV     1
 ASSI { 1473}
   (( segid " 1SG" and resid 93   and name HN  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      3.100     1.200     1.200 peak  1473 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      8.557 ppm2      0.177 CV     1
 ASSI { 1476}
   (( segid " 1SG" and resid 85   and name HN  ))
   (( segid " 1SG" and resid 104  and name HB2 ))
      3.300     1.400     1.400 peak  1476 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      9.406 ppm2      1.227 CV     1
 ASSI { 1477}
   (( segid " 1SG" and resid 85   and name HN  ))
   (( segid " 1SG" and resid 103  and name HA  ))
      3.500     3.500     2.500 peak  1477 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      9.405 ppm2      5.536 CV     1
 ASSI { 1478}
   (( segid " 1SG" and resid 25   and name HN  ))
   (  segid " 1SG" and resid 23   and name HG2%)
      3.200     3.200     2.800 peak  1478 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      8.401 ppm2      0.771 CV     1
 ASSI { 1480}
   (( segid " 1SG" and resid 44   and name HN  ))
   (  segid " 1SG" and resid 87   and name HD% )
      2.600     0.900     0.900 peak  1480 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      8.211 ppm2      6.801 CV     1
 ASSI { 1482}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 43   and name HD2 ))
      3.500     1.600     1.600 peak  1482 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      8.212 ppm2      1.314 CV     1
 OR { 1482}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 43   and name HD1 ))
 ASSI { 1484}
   (( segid " 1SG" and resid 51   and name HN  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      3.100     1.200     1.200 peak  1484 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      7.879 ppm2      1.071 CV     1
 ASSI { 1485}
   (( segid " 1SG" and resid 51   and name HN  ))
   (( segid " 1SG" and resid 52   and name HB2 ))
      3.500     1.500     1.500 peak  1485 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      7.881 ppm2      1.710 CV     1
 ASSI { 1486}
   (( segid " 1SG" and resid 7    and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.600     1.600     1.600 peak  1486 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      8.875 ppm2      0.469 CV     1
 ASSI { 1488}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 48   and name HB2 ))
      3.200     1.200     1.200 peak  1488 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      8.940 ppm2      2.935 CV     1
 ASSI { 1490}
   (( segid " 1SG" and resid 69   and name HN  ))
   (  segid " 1SG" and resid 63   and name HD% )
      2.800     2.800     3.200 peak  1490 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      6.899 ppm2      5.903 CV     1
 ASSI { 1491}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 67   and name HA  ))
      3.500     1.500     1.500 peak  1491 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      6.897 ppm2      4.292 CV     1
 ASSI { 1494}
   (( segid " 1SG" and resid 83   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      3.300     1.400     1.400 peak  1494 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      8.257 ppm2      1.183 CV     1
 ASSI { 1495}
   (( segid " 1SG" and resid 70   and name HN  ))
   (  segid " 1SG" and resid 28   and name HG2%)
      3.200     1.300     1.300 peak  1495 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      9.272 ppm2      0.629 CV     1
 ASSI { 1496}
   (( segid " 1SG" and resid 70   and name HN  ))
   (  segid " 1SG" and resid 29   and name HB% )
      2.300     2.300     3.700 peak  1496 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      9.273 ppm2      1.513 CV     1
 ASSI { 1497}
   (( segid " 1SG" and resid 70   and name HN  ))
   (  segid " 1SG" and resid 70   and name HE% )
      3.400     1.500     1.500 peak  1497 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      9.270 ppm2      6.632 CV     1
 ASSI { 1498}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 100  and name HN  ))
      3.300     1.400     1.400 peak  1498 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      9.228 ppm2      8.896 CV     1
 ASSI { 1499}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 98   and name HN  ))
      3.300     1.300     1.300 peak  1499 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      9.228 ppm2      8.427 CV     1
 ASSI { 1501}
   (( segid " 1SG" and resid 80   and name HN  ))
   (  segid " 1SG" and resid 83   and name HE% )
      3.000     1.100     1.100 peak  1501 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      5.580 ppm2      7.264 CV     1
 ASSI { 1503}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 34   and name HN  ))
      2.500     0.800     0.800 peak  1503 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      7.510 ppm2      8.687 CV     1
 ASSI { 1504}
   (( segid " 1SG" and resid 92   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      2.900     1.100     1.100 peak  1504 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      8.734 ppm2      0.473 CV     1
 ASSI { 1505}
   (( segid " 1SG" and resid 92   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG1%)
      2.300     2.300     3.700 peak  1505 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      8.735 ppm2     -0.083 CV     1
 ASSI { 1507}
   (( segid " 1SG" and resid 42   and name HN  ))
   (  segid " 1SG" and resid 49   and name HD2%)
      3.300     1.400     1.400 peak  1507 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      9.445 ppm2      1.011 CV     1
 ASSI { 1510}
   (( segid " 1SG" and resid 42   and name HN  ))
   (( segid " 1SG" and resid 41   and name HB2 ))
      3.400     1.500     1.500 peak  1510 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      9.448 ppm2      3.149 CV     1
 ASSI { 1511}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 103  and name HD21))
      2.900     1.000     1.000 peak  1511 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      9.241 ppm2      7.722 CV     1
 ASSI { 1513}
   (( segid " 1SG" and resid 79   and name HN  ))
   (  segid " 1SG" and resid 83   and name HE% )
      3.400     3.400     2.600 peak  1513 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      8.973 ppm2      7.265 CV     1
 ASSI { 1514}
   (( segid " 1SG" and resid 79   and name HN  ))
   (  segid " 1SG" and resid 83   and name HD% )
      3.700     1.700     1.700 peak  1514 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      8.973 ppm2      7.109 CV     1
 ASSI { 1515}
   (( segid " 1SG" and resid 79   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.100     1.200     1.200 peak  1515 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      8.973 ppm2      0.382 CV     1
 ASSI { 1518}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HD2 ))
      3.300     1.300     1.300 peak  1518 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      8.896 ppm2      3.106 CV     1
 OR { 1518}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HD1 ))
 ASSI { 1519}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 9    and name HG2 ))
      3.000     3.000     3.000 peak  1519 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      8.892 ppm2      2.504 CV     1
 ASSI { 1520}
   (( segid " 1SG" and resid 100  and name HN  ))
   (( segid " 1SG" and resid 89   and name HB2 ))
      2.800     1.000     1.000 peak  1520 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      8.895 ppm2      2.307 CV     1
 ASSI { 1521}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HG1 ))
      2.700     0.900     0.900 peak  1521 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      8.890 ppm2      1.675 CV     1
 OR { 1521}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HG2 ))
 ASSI { 1522}
   (( segid " 1SG" and resid 27   and name HN  ))
   (  segid " 1SG" and resid 28   and name HG2%)
      3.000     1.100     1.100 peak  1522 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      8.891 ppm2      0.632 CV     1
 ASSI { 1523}
   (( segid " 1SG" and resid 94   and name HN  ))
   (( segid " 1SG" and resid 93   and name HB  ))
      2.700     0.900     0.900 peak  1523 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      8.338 ppm2      4.555 CV     1
 ASSI { 1526}
   (( segid " 1SG" and resid 17   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.100     3.100     2.900 peak  1526 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      7.898 ppm2      0.371 CV     1
 ASSI { 1527}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 61   and name HB2 ))
      3.600     3.600     2.400 peak  1527 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      9.450 ppm2      2.295 CV     1
 ASSI { 1530}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 60   and name HA  ))
      3.000     3.000     3.000 peak  1530 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      9.450 ppm2      5.073 CV     1
 ASSI { 1534}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 16   and name HB  ))
      3.400     3.400     2.600 peak  1534 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      8.502 ppm2      1.802 CV     1
 ASSI { 1535}
   (( segid " 1SG" and resid 38   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG2%)
      3.000     1.100     1.100 peak  1535 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      8.374 ppm2     -0.453 CV     1
 ASSI { 1537}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 68   and name HA  ))
      3.800     1.800     1.800 peak  1537 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      8.106 ppm2      3.600 CV     1
 ASSI { 1538}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 65   and name HD1 ))
      2.300     2.300     3.700 peak  1538 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      8.106 ppm2      3.228 CV     1
 OR { 1538}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 65   and name HD2 ))
 ASSI { 1539}
   (( segid " 1SG" and resid 84   and name HN  ))
   (  segid " 1SG" and resid 83   and name HD% )
      3.500     1.600     1.600 peak  1539 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      7.866 ppm2      7.112 CV     1
 ASSI { 1540}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 74   and name HA  ))
      3.200     1.300     1.300 peak  1540 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      8.940 ppm2      4.324 CV     1
 ASSI { 1542}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 22   and name HG12))
      3.500     1.600     1.600 peak  1542 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      8.888 ppm2      0.075 CV     1
 ASSI { 1543}
   (( segid " 1SG" and resid 104  and name HN  ))
   (  segid " 1SG" and resid 106  and name HG1%)
      3.200     3.200     2.800 peak  1543 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      8.793 ppm2      0.667 CV     1
 ASSI { 1549}
   (( segid " 1SG" and resid 26   and name HN  ))
   (( segid " 1SG" and resid 27   and name HN  ))
      3.300     1.300     1.300 peak  1549 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      9.498 ppm2      8.892 CV     1
 ASSI { 1550}
   (( segid " 1SG" and resid 26   and name HN  ))
   (  segid " 1SG" and resid 72   and name HD% )
      3.400     3.400     2.600 peak  1550 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      9.498 ppm2      7.311 CV     1
 ASSI { 1552}
   (( segid " 1SG" and resid 41   and name HN  ))
   (  segid " 1SG" and resid 49   and name HD2%)
      3.500     1.600     1.600 peak  1552 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      9.306 ppm2      1.018 CV     1
 ASSI { 1553}
   (( segid " 1SG" and resid 41   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD1%)
      3.100     1.200     1.200 peak  1553 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      9.307 ppm2      0.856 CV     1
 ASSI { 1554}
   (( segid " 1SG" and resid 41   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD2%)
      3.500     1.500     1.500 peak  1554 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      9.307 ppm2      0.688 CV     1
 ASSI { 1555}
   (( segid " 1SG" and resid 41   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG1%)
      3.100     1.200     1.200 peak  1555 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      9.308 ppm2     -0.081 CV     1
 ASSI { 1557}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 74   and name HB2 ))
      2.300     0.700     0.700 peak  1557 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      9.237 ppm2     -0.838 CV     1
 ASSI { 1560}
   (( segid " 1SG" and resid 76   and name HN  ))
   (  segid " 1SG" and resid 76   and name HD1%)
      3.400     1.400     1.400 peak  1560 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      8.926 ppm2      0.649 CV     1
 ASSI { 1561}
   (( segid " 1SG" and resid 76   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD1%)
      3.700     1.700     1.700 peak  1561 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      8.926 ppm2      0.405 CV     1
 OR { 1561}
   (( segid " 1SG" and resid 76   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD2%)
 ASSI { 1563}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 90   and name HB2 ))
      3.200     1.300     1.300 peak  1563 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      8.696 ppm2      2.025 CV     1
 ASSI { 1564}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 40   and name HD1 ))
      3.400     1.400     1.400 peak  1564 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      8.694 ppm2      1.685 CV     1
 OR { 1564}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 40   and name HD2 ))
 ASSI { 1565}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 40   and name HG1 ))
      2.400     0.700     0.700 peak  1565 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      8.694 ppm2      1.238 CV     1
 OR { 1565}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 40   and name HG2 ))
 ASSI { 1566}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 41   and name HH2 ))
      2.800     2.800     3.200 peak  1566 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      8.470 ppm2      6.611 CV     1
 ASSI { 1568}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 24   and name HB2 ))
      2.900     2.900     3.100 peak  1568 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      8.469 ppm2      2.408 CV     1
 ASSI { 1570}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 75   and name HN  ))
      3.200     1.300     1.300 peak  1570 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      8.471 ppm2      9.160 CV     1
 ASSI { 1572}
   (( segid " 1SG" and resid 8    and name HN  ))
   (  segid " 1SG" and resid 28   and name HG1%)
      3.200     1.300     1.300 peak  1572 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      9.052 ppm2      0.818 CV     1
 ASSI { 1573}
   (( segid " 1SG" and resid 8    and name HN  ))
   (  segid " 1SG" and resid 29   and name HB% )
      3.500     1.500     1.500 peak  1573 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      9.052 ppm2      1.513 CV     1
 ASSI { 1574}
   (( segid " 1SG" and resid 8    and name HN  ))
   (( segid " 1SG" and resid 7    and name HB2 ))
      3.500     1.600     1.600 peak  1574 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      9.052 ppm2      2.577 CV     1
 ASSI { 1576}
   (( segid " 1SG" and resid 87   and name HN  ))
   (  segid " 1SG" and resid 87   and name HE% )
      3.600     1.600     1.600 peak  1576 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      9.114 ppm2      6.589 CV     1
 ASSI { 1577}
   (( segid " 1SG" and resid 31   and name HN  ))
   (( segid " 1SG" and resid 29   and name HA  ))
      3.000     1.200     1.200 peak  1577 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      8.417 ppm2      4.392 CV     1
 ASSI { 1578}
   (( segid " 1SG" and resid 31   and name HN  ))
   (( segid " 1SG" and resid 30   and name HA1 ))
      2.600     0.900     0.900 peak  1578 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      8.418 ppm2      3.945 CV     1
 ASSI { 1579}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 62   and name HA  ))
      2.900     2.900     3.100 peak  1579 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      8.722 ppm2      4.598 CV     1
 ASSI { 1582}
   (( segid " 1SG" and resid 10   and name HN  ))
   (( segid " 1SG" and resid 9    and name HB2 ))
      3.500     1.500     1.500 peak  1582 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      8.852 ppm2      1.895 CV     1
 ASSI { 1583}
   (( segid " 1SG" and resid 10   and name HN  ))
   (( segid " 1SG" and resid 100  and name HB2 ))
      3.300     3.300     2.700 peak  1583 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      8.852 ppm2      2.963 CV     1
 ASSI { 1584}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (( segid " 1SG" and resid 41   and name HH2 ))
      3.500     1.600     1.600 peak  1584 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1     10.779 ppm2      6.612 CV     1
 ASSI { 1585}
   (( segid " 1SG" and resid 21   and name HN  ))
   (( segid " 1SG" and resid 21   and name HB2 ))
      3.000     1.100     1.100 peak  1585 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      8.170 ppm2      3.751 CV     1
 ASSI { 1587}
   (( segid " 1SG" and resid 23   and name HN  ))
   (  segid " 1SG" and resid 22   and name HG2%)
      3.500     1.500     1.500 peak  1587 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      7.913 ppm2      0.580 CV     1
 ASSI { 1588}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      2.600     2.600     3.400 peak  1588 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      9.673 ppm2      2.815 CV     1
 ASSI { 1589}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 37   and name HB2 ))
      2.900     2.900     3.100 peak  1589 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      7.892 ppm2      1.363 CV     1
 OR { 1589}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 37   and name HG2 ))
 ASSI { 1590}
   (( segid " 1SG" and resid 39   and name HN  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      3.300     1.400     1.400 peak  1590 spectrum    1 weight  0.10000E+01 volume  0.35036E-02 ppm1      7.893 ppm2      0.175 CV     1
 ASSI { 1592}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 93   and name HB  ))
      2.600     0.900     0.900 peak  1592 spectrum    1 weight  0.10000E+01 volume  0.35089E-02 ppm1      7.547 ppm2      4.555 CV     1
 ASSI { 1593}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 95   and name HB2 ))
      3.400     1.500     1.500 peak  1593 spectrum    1 weight  0.10000E+01 volume  0.35089E-02 ppm1      7.546 ppm2      2.632 CV     1
 ASSI { 1595}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 95   and name HA  ))
      2.900     1.100     1.100 peak  1595 spectrum    1 weight  0.10000E+01 volume  0.35089E-02 ppm1      7.548 ppm2      4.750 CV     1
 ASSI { 1596}
   (( segid " 1SG" and resid 98   and name HN  ))
   (( segid " 1SG" and resid 7    and name HB2 ))
      3.100     3.100     2.900 peak  1596 spectrum    1 weight  0.10000E+01 volume  0.35089E-02 ppm1      8.415 ppm2      2.581 CV     1
 ASSI { 1597}
   (( segid " 1SG" and resid 101  and name HN  ))
   (( segid " 1SG" and resid 100  and name HB2 ))
      3.000     1.200     1.200 peak  1597 spectrum    1 weight  0.10000E+01 volume  0.35089E-02 ppm1      9.044 ppm2      2.950 CV     1
 ASSI { 1598}
   (( segid " 1SG" and resid 105  and name HN  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      3.200     3.200     2.800 peak  1598 spectrum    1 weight  0.10000E+01 volume  0.35089E-02 ppm1      8.401 ppm2      1.492 CV     1
 ASSI { 1599}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 15   and name HG1 ))
      3.100     1.200     1.200 peak  1599 spectrum    1 weight  0.10000E+01 volume  0.35089E-02 ppm1      8.404 ppm2      2.261 CV     1
 OR { 1599}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 15   and name HG2 ))
 ASSI { 1600}
   (( segid " 1SG" and resid 98   and name HN  ))
   (( segid " 1SG" and resid 91   and name HA  ))
      2.300     2.300     3.700 peak  1600 spectrum    1 weight  0.10000E+01 volume  0.35089E-02 ppm1      8.399 ppm2      4.758 CV     1
 ASSI { 1602}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 105  and name HB  ))
      3.100     1.200     1.200 peak  1602 spectrum    1 weight  0.10000E+01 volume  0.35089E-02 ppm1      8.150 ppm2      3.935 CV     1
 ASSI { 1603}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 106  and name HB  ))
      3.700     1.800     1.800 peak  1603 spectrum    1 weight  0.10000E+01 volume  0.35089E-02 ppm1      8.820 ppm2      1.850 CV     1
 ASSI { 1605}
   (( segid " 1SG" and resid 38   and name HN  ))
   (  segid " 1SG" and resid 38   and name HG2%)
      2.900     1.000     1.000 peak  1605 spectrum    1 weight  0.10000E+01 volume  0.35089E-02 ppm1      8.373 ppm2      0.790 CV     1
 ASSI { 1606}
   (( segid " 1SG" and resid 19   and name HN  ))
   (( segid " 1SG" and resid 19   and name HA2 ))
      2.600     0.800     0.800 peak  1606 spectrum    1 weight  0.10000E+01 volume  0.35089E-02 ppm1      9.828 ppm2      4.311 CV     1
 ASSI { 1608}
   (( segid " 1SG" and resid 85   and name HN  ))
   (  segid " 1SG" and resid 87   and name HD% )
      3.300     3.300     2.700 peak  1608 spectrum    1 weight  0.10000E+01 volume  0.35089E-02 ppm1      9.409 ppm2      6.792 CV     1
 ASSI { 1609}
   (( segid " 1SG" and resid 101  and name HD21))
   (( segid " 1SG" and resid 101  and name HB2 ))
      2.800     1.000     1.000 peak  1609 spectrum    1 weight  0.10000E+01 volume  0.35089E-02 ppm1      7.436 ppm2      2.696 CV     1
 ASSI { 1613}
   (( segid " 1SG" and resid 28   and name HN  ))
   (  segid " 1SG" and resid 72   and name HD% )
      3.000     1.100     1.100 peak  1613 spectrum    1 weight  0.10000E+01 volume  0.35106E-02 ppm1      9.673 ppm2      7.309 CV     1
 ASSI { 1614}
   (( segid " 1SG" and resid 68   and name HN  ))
   (( segid " 1SG" and resid 66   and name HA  ))
      3.600     1.600     1.600 peak  1614 spectrum    1 weight  0.10000E+01 volume  0.35089E-02 ppm1      7.876 ppm2      4.125 CV     1
 ASSI {    1}
   (( segid " 1SG" and resid 43   and name HD2 ))
   (( segid " 1SG" and resid 43   and name HG2 ))
      2.100     0.500     0.500 peak     1 spectrum    1 weight  0.10000E+01 volume  0.84607E-02 ppm1      1.317 ppm2      0.086 CV     1
 OR {    1}
   (( segid " 1SG" and resid 43   and name HD1 ))
   (( segid " 1SG" and resid 43   and name HG2 ))
 ASSI {    2}
   (( segid " 1SG" and resid 41   and name HA  ))
   (( segid " 1SG" and resid 89   and name HA  ))
      2.100     0.500     0.500 peak     2 spectrum    1 weight  0.10000E+01 volume  0.84632E-02 ppm1      5.478 ppm2      4.971 CV     1
 ASSI {   16}
   (( segid " 1SG" and resid 65   and name HG1 ))
   (( segid " 1SG" and resid 65   and name HB2 ))
      2.100     0.600     0.600 peak    16 spectrum    1 weight  0.10000E+01 volume  0.84670E-02 ppm1      1.688 ppm2      1.765 CV     1
 OR {   16}
   (( segid " 1SG" and resid 65   and name HG2 ))
   (( segid " 1SG" and resid 65   and name HB1 ))
 OR {   16}
   (( segid " 1SG" and resid 65   and name HG1 ))
   (( segid " 1SG" and resid 65   and name HB1 ))
 OR {   16}
   (( segid " 1SG" and resid 65   and name HG2 ))
   (( segid " 1SG" and resid 65   and name HB2 ))
 ASSI {   41}
   (( segid " 1SG" and resid 41   and name HA  ))
   (( segid " 1SG" and resid 90   and name HB2 ))
      2.400     2.400     3.600 peak    41 spectrum    1 weight  0.10000E+01 volume  0.83476E-02 ppm1      5.495 ppm2      2.057 CV     1
 ASSI {   98}
   (( segid " 1SG" and resid 87   and name HA  ))
   (( segid " 1SG" and resid 43   and name HA  ))
      2.000     0.500     0.500 peak    98 spectrum    1 weight  0.10000E+01 volume  0.83476E-02 ppm1      4.980 ppm2      4.145 CV     1
 ASSI {  113}
   (( segid " 1SG" and resid 61   and name HA  ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      2.500     2.500     3.500 peak   113 spectrum    1 weight  0.10000E+01 volume  0.83476E-02 ppm1      5.518 ppm2      2.821 CV     1
 ASSI {  155}
   (( segid " 1SG" and resid 9    and name HA  ))
   (( segid " 1SG" and resid 9    and name HG2 ))
      2.300     0.700     0.700 peak   155 spectrum    1 weight  0.10000E+01 volume  0.83614E-02 ppm1      4.653 ppm2      2.522 CV     1
 ASSI {  159}
   (  segid " 1SG" and resid 93   and name HG2%)
   (( segid " 1SG" and resid 37   and name HA  ))
      2.000     0.500     0.500 peak   159 spectrum    1 weight  0.10000E+01 volume  0.84469E-02 ppm1      1.041 ppm2      4.505 CV     1
 ASSI {  174}
   (( segid " 1SG" and resid 72   and name HB2 ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      2.000     2.000     4.000 peak   174 spectrum    1 weight  0.10000E+01 volume  0.23196E-01 ppm1      2.926 ppm2      2.791 CV     1
 ASSI {  175}
   (( segid " 1SG" and resid 32   and name HA  ))
   (( segid " 1SG" and resid 32   and name HB2 ))
      2.200     0.600     0.600 peak   175 spectrum    1 weight  0.10000E+01 volume  0.83614E-02 ppm1      4.518 ppm2      3.914 CV     1
 OR {  175}
   (( segid " 1SG" and resid 32   and name HA  ))
   (( segid " 1SG" and resid 32   and name HB1 ))
 ASSI {  183}
   (( segid " 1SG" and resid 74   and name HA  ))
   (( segid " 1SG" and resid 59   and name HA  ))
      1.900     0.500     0.500 peak   183 spectrum    1 weight  0.10000E+01 volume  0.83614E-02 ppm1      4.344 ppm2      5.189 CV     1
 ASSI {  185}
   (( segid " 1SG" and resid 74   and name HA  ))
   (  segid " 1SG" and resid 74   and name HD2%)
      2.000     0.500     0.500 peak   185 spectrum    1 weight  0.10000E+01 volume  0.83614E-02 ppm1      4.326 ppm2      0.405 CV     1
 OR {  185}
   (( segid " 1SG" and resid 74   and name HA  ))
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI {  218}
   (( segid " 1SG" and resid 94   and name HD1 ))
   (( segid " 1SG" and resid 94   and name HG1 ))
      1.800     0.400     0.400 peak   218 spectrum    1 weight  0.10000E+01 volume  0.19610E-01 ppm1      1.680 ppm2      1.415 CV     1
 OR {  218}
   (( segid " 1SG" and resid 94   and name HD2 ))
   (( segid " 1SG" and resid 94   and name HG2 ))
 OR {  218}
   (( segid " 1SG" and resid 94   and name HD2 ))
   (( segid " 1SG" and resid 94   and name HG1 ))
 OR {  218}
   (( segid " 1SG" and resid 94   and name HD1 ))
   (( segid " 1SG" and resid 94   and name HG2 ))
 ASSI {  253}
   (( segid " 1SG" and resid 55   and name HG1 ))
   (( segid " 1SG" and resid 55   and name HB2 ))
      2.000     0.500     0.500 peak   253 spectrum    1 weight  0.10000E+01 volume  0.16232E-01 ppm1      1.989 ppm2      1.788 CV     1
 OR {  253}
   (( segid " 1SG" and resid 55   and name HG2 ))
   (( segid " 1SG" and resid 55   and name HB2 ))
 ASSI {  275}
   (( segid " 1SG" and resid 81   and name HB2 ))
   (( segid " 1SG" and resid 81   and name HA  ))
      2.300     0.600     0.600 peak   275 spectrum    1 weight  0.10000E+01 volume  0.83759E-02 ppm1      1.927 ppm2      4.000 CV     1
 ASSI {  282}
   (  segid " 1SG" and resid 84   and name HG2%)
   (( segid " 1SG" and resid 84   and name HB  ))
      2.000     0.500     0.500 peak   282 spectrum    1 weight  0.10000E+01 volume  0.13817E-01 ppm1      1.497 ppm2      4.224 CV     1
 OR {  282}
   (  segid " 1SG" and resid 84   and name HG2%)
   (( segid " 1SG" and resid 84   and name HA  ))
 ASSI {  302}
   (  segid " 1SG" and resid 4    and name HD1%)
   (( segid " 1SG" and resid 4    and name HB  ))
      2.100     0.500     0.500 peak   302 spectrum    1 weight  0.10000E+01 volume  0.83790E-02 ppm1      0.966 ppm2      2.051 CV     1
 ASSI {  313}
   (  segid " 1SG" and resid 66   and name HB% )
   (( segid " 1SG" and resid 66   and name HA  ))
      2.100     0.500     0.500 peak   313 spectrum    1 weight  0.10000E+01 volume  0.11644E-01 ppm1      1.419 ppm2      4.132 CV     1
 ASSI {  316}
   (( segid " 1SG" and resid 35   and name HG2 ))
   (( segid " 1SG" and resid 35   and name HB1 ))
      2.100     0.500     0.500 peak   316 spectrum    1 weight  0.10000E+01 volume  0.83935E-02 ppm1      1.346 ppm2      1.779 CV     1
 OR {  316}
   (( segid " 1SG" and resid 35   and name HG2 ))
   (( segid " 1SG" and resid 35   and name HB2 ))
 OR {  316}
   (( segid " 1SG" and resid 35   and name HG1 ))
   (( segid " 1SG" and resid 35   and name HB1 ))
 OR {  316}
   (( segid " 1SG" and resid 35   and name HG1 ))
   (( segid " 1SG" and resid 35   and name HB2 ))
 ASSI {  318}
   (( segid " 1SG" and resid 52   and name HG2 ))
   (( segid " 1SG" and resid 52   and name HB2 ))
      2.100     0.600     0.600 peak   318 spectrum    1 weight  0.10000E+01 volume  0.83935E-02 ppm1      1.347 ppm2      1.689 CV     1
 OR {  318}
   (( segid " 1SG" and resid 52   and name HG1 ))
   (( segid " 1SG" and resid 52   and name HB2 ))
 ASSI {  323}
   (( segid " 1SG" and resid 94   and name HG1 ))
   (( segid " 1SG" and resid 94   and name HB2 ))
      2.200     0.600     0.600 peak   323 spectrum    1 weight  0.10000E+01 volume  0.83935E-02 ppm1      1.415 ppm2      1.794 CV     1
 OR {  323}
   (( segid " 1SG" and resid 94   and name HG2 ))
   (( segid " 1SG" and resid 94   and name HB2 ))
 ASSI {  328}
   (( segid " 1SG" and resid 34   and name HG  ))
   (  segid " 1SG" and resid 34   and name HD1%)
      2.100     0.600     0.600 peak   328 spectrum    1 weight  0.10000E+01 volume  0.83935E-02 ppm1      0.934 ppm2      0.862 CV     1
 OR {  328}
   (( segid " 1SG" and resid 34   and name HG  ))
   (  segid " 1SG" and resid 34   and name HD2%)
 ASSI {  335}
   (( segid " 1SG" and resid 3    and name HB2 ))
   (( segid " 1SG" and resid 4    and name HB  ))
      2.400     2.400     3.600 peak   335 spectrum    1 weight  0.10000E+01 volume  0.10605E-01 ppm1      2.299 ppm2      2.004 CV     1
 OR {  335}
   (( segid " 1SG" and resid 3    and name HB1 ))
   (( segid " 1SG" and resid 4    and name HB  ))
 ASSI {  336}
   (( segid " 1SG" and resid 68   and name HD1 ))
   (( segid " 1SG" and resid 68   and name HB2 ))
      2.300     0.600     0.600 peak   336 spectrum    1 weight  0.10000E+01 volume  0.83935E-02 ppm1      1.673 ppm2      1.771 CV     1
 OR {  336}
   (( segid " 1SG" and resid 68   and name HD2 ))
   (( segid " 1SG" and resid 68   and name HB2 ))
 ASSI {  342}
   (( segid " 1SG" and resid 36   and name HB2 ))
   (( segid " 1SG" and resid 36   and name HD2 ))
      2.300     0.700     0.700 peak   342 spectrum    1 weight  0.10000E+01 volume  0.83935E-02 ppm1      1.641 ppm2      3.510 CV     1
 ASSI {  345}
   (  segid " 1SG" and resid 69   and name HG1%)
   (( segid " 1SG" and resid 69   and name HB  ))
      2.000     0.500     0.500 peak   345 spectrum    1 weight  0.10000E+01 volume  0.10367E-01 ppm1      0.862 ppm2      1.752 CV     1
 OR {  345}
   (  segid " 1SG" and resid 69   and name HG2%)
   (( segid " 1SG" and resid 69   and name HB  ))
 ASSI {  349}
   (  segid " 1SG" and resid 82   and name HB% )
   (( segid " 1SG" and resid 82   and name HA  ))
      2.100     0.600     0.600 peak   349 spectrum    1 weight  0.10000E+01 volume  0.10151E-01 ppm1      1.321 ppm2      4.210 CV     1
 ASSI {  352}
   (( segid " 1SG" and resid 35   and name HG1 ))
   (( segid " 1SG" and resid 35   and name HD2 ))
      2.000     0.500     0.500 peak   352 spectrum    1 weight  0.10000E+01 volume  0.10095E-01 ppm1      1.368 ppm2      1.640 CV     1
 OR {  352}
   (( segid " 1SG" and resid 35   and name HG2 ))
   (( segid " 1SG" and resid 35   and name HD2 ))
 OR {  352}
   (( segid " 1SG" and resid 35   and name HG1 ))
   (( segid " 1SG" and resid 35   and name HD1 ))
 OR {  352}
   (( segid " 1SG" and resid 35   and name HG2 ))
   (( segid " 1SG" and resid 35   and name HD1 ))
 ASSI {  353}
   (  segid " 1SG" and resid 16   and name HG1%)
   (  segid " 1SG" and resid 16   and name HG2%)
      2.100     0.600     0.600 peak   353 spectrum    1 weight  0.10000E+01 volume  0.10082E-01 ppm1      0.980 ppm2      0.628 CV     1
 ASSI {  354}
   (( segid " 1SG" and resid 21   and name HB2 ))
   (( segid " 1SG" and resid 23   and name HB  ))
      2.200     2.200     3.800 peak   354 spectrum    1 weight  0.10000E+01 volume  0.10026E-01 ppm1      3.720 ppm2      3.604 CV     1
 ASSI {  356}
   (( segid " 1SG" and resid 104  and name HG  ))
   (( segid " 1SG" and resid 104  and name HB2 ))
      2.100     2.100     3.900 peak   356 spectrum    1 weight  0.10000E+01 volume  0.83935E-02 ppm1      1.339 ppm2      1.226 CV     1
 ASSI {  357}
   (( segid " 1SG" and resid 104  and name HG  ))
   (  segid " 1SG" and resid 104  and name HD1%)
      2.100     0.500     0.500 peak   357 spectrum    1 weight  0.10000E+01 volume  0.83935E-02 ppm1      1.341 ppm2      0.980 CV     1
 ASSI {  358}
   (( segid " 1SG" and resid 65   and name HD2 ))
   (( segid " 1SG" and resid 65   and name HG2 ))
      2.100     0.500     0.500 peak   358 spectrum    1 weight  0.10000E+01 volume  0.99176E-02 ppm1      3.238 ppm2      1.683 CV     1
 OR {  358}
   (( segid " 1SG" and resid 65   and name HD2 ))
   (( segid " 1SG" and resid 65   and name HG1 ))
 OR {  358}
   (( segid " 1SG" and resid 65   and name HD1 ))
   (( segid " 1SG" and resid 65   and name HG2 ))
 OR {  358}
   (( segid " 1SG" and resid 65   and name HD1 ))
   (( segid " 1SG" and resid 65   and name HG1 ))
 ASSI {  359}
   (( segid " 1SG" and resid 104  and name HG  ))
   (  segid " 1SG" and resid 104  and name HD2%)
      2.100     0.500     0.500 peak   359 spectrum    1 weight  0.10000E+01 volume  0.83935E-02 ppm1      1.342 ppm2      0.832 CV     1
 ASSI {  363}
   (  segid " 1SG" and resid 8    and name HG1%)
   (( segid " 1SG" and resid 8    and name HB  ))
      2.000     0.500     0.500 peak   363 spectrum    1 weight  0.10000E+01 volume  0.97970E-02 ppm1      0.979 ppm2      1.824 CV     1
 OR {  363}
   (  segid " 1SG" and resid 8    and name HG2%)
   (( segid " 1SG" and resid 8    and name HB  ))
 ASSI {  364}
   (( segid " 1SG" and resid 59   and name HG  ))
   (  segid " 1SG" and resid 59   and name HD2%)
      2.000     0.500     0.500 peak   364 spectrum    1 weight  0.10000E+01 volume  0.83935E-02 ppm1      1.424 ppm2      0.682 CV     1
 ASSI {  375}
   (( segid " 1SG" and resid 4    and name HG12))
   (  segid " 1SG" and resid 4    and name HG2%)
      2.000     0.500     0.500 peak   375 spectrum    1 weight  0.10000E+01 volume  0.83935E-02 ppm1      1.245 ppm2      0.917 CV     1
 ASSI {  377}
   (  segid " 1SG" and resid 71   and name HD2%)
   (  segid " 1SG" and resid 71   and name HD1%)
      2.200     0.600     0.600 peak   377 spectrum    1 weight  0.10000E+01 volume  0.94980E-02 ppm1      0.746 ppm2      0.857 CV     1
 ASSI {  384}
   (( segid " 1SG" and resid 81   and name HD2 ))
   (  segid " 1SG" and resid 18   and name HG1%)
      2.600     0.900     0.900 peak   384 spectrum    1 weight  0.10000E+01 volume  0.83966E-02 ppm1      3.587 ppm2      0.967 CV     1
 OR {  384}
   (( segid " 1SG" and resid 81   and name HD2 ))
   (  segid " 1SG" and resid 18   and name HG2%)
 ASSI {  388}
   (( segid " 1SG" and resid 34   and name HG  ))
   (( segid " 1SG" and resid 34   and name HB2 ))
      2.100     0.600     0.600 peak   388 spectrum    1 weight  0.10000E+01 volume  0.92077E-02 ppm1      0.935 ppm2      1.675 CV     1
 OR {  388}
   (( segid " 1SG" and resid 34   and name HG  ))
   (( segid " 1SG" and resid 34   and name HB1 ))
 ASSI {  403}
   (  segid " 1SG" and resid 34   and name HD1%)
   (( segid " 1SG" and resid 34   and name HB2 ))
      2.200     0.600     0.600 peak   403 spectrum    1 weight  0.10000E+01 volume  0.89765E-02 ppm1      0.863 ppm2      1.651 CV     1
 OR {  403}
   (  segid " 1SG" and resid 34   and name HD2%)
   (( segid " 1SG" and resid 34   and name HB1 ))
 OR {  403}
   (  segid " 1SG" and resid 34   and name HD1%)
   (( segid " 1SG" and resid 34   and name HB1 ))
 OR {  403}
   (  segid " 1SG" and resid 34   and name HD2%)
   (( segid " 1SG" and resid 34   and name HB2 ))
 ASSI {  404}
   (  segid " 1SG" and resid 33   and name HD2%)
   (( segid " 1SG" and resid 33   and name HB2 ))
      2.300     0.600     0.600 peak   404 spectrum    1 weight  0.10000E+01 volume  0.89325E-02 ppm1      0.873 ppm2      1.725 CV     1
 OR {  404}
   (  segid " 1SG" and resid 33   and name HD1%)
   (( segid " 1SG" and resid 33   and name HB2 ))
 ASSI {  405}
   (( segid " 1SG" and resid 96   and name HB2 ))
   (  segid " 1SG" and resid 6    and name HD2%)
      2.200     0.600     0.600 peak   405 spectrum    1 weight  0.10000E+01 volume  0.83966E-02 ppm1      1.583 ppm2      0.481 CV     1
 ASSI {  406}
   (( segid " 1SG" and resid 35   and name HB2 ))
   (( segid " 1SG" and resid 35   and name HD1 ))
      2.200     0.600     0.600 peak   406 spectrum    1 weight  0.10000E+01 volume  0.88892E-02 ppm1      1.791 ppm2      1.632 CV     1
 OR {  406}
   (( segid " 1SG" and resid 35   and name HB2 ))
   (( segid " 1SG" and resid 35   and name HD2 ))
 OR {  406}
   (( segid " 1SG" and resid 35   and name HB1 ))
   (( segid " 1SG" and resid 35   and name HD1 ))
 OR {  406}
   (( segid " 1SG" and resid 35   and name HB1 ))
   (( segid " 1SG" and resid 35   and name HD2 ))
 ASSI {  414}
   (( segid " 1SG" and resid 33   and name HB2 ))
   (( segid " 1SG" and resid 33   and name HG  ))
      2.000     0.500     0.500 peak   414 spectrum    1 weight  0.10000E+01 volume  0.84079E-02 ppm1      1.739 ppm2      0.923 CV     1
 ASSI {  415}
   (  segid " 1SG" and resid 31   and name HB% )
   (( segid " 1SG" and resid 31   and name HA  ))
      2.100     0.600     0.600 peak   415 spectrum    1 weight  0.10000E+01 volume  0.87667E-02 ppm1      1.537 ppm2      4.174 CV     1
 ASSI {  416}
   (( segid " 1SG" and resid 2    and name HB2 ))
   (( segid " 1SG" and resid 1    and name HB2 ))
      2.500     2.500     3.500 peak   416 spectrum    1 weight  0.10000E+01 volume  0.84079E-02 ppm1      2.691 ppm2      2.601 CV     1
 ASSI {  425}
   (  segid " 1SG" and resid 76   and name HD1%)
   (  segid " 1SG" and resid 76   and name HG2%)
      2.000     0.500     0.500 peak   425 spectrum    1 weight  0.10000E+01 volume  0.85210E-02 ppm1      0.678 ppm2      0.829 CV     1
 ASSI {  427}
   (  segid " 1SG" and resid 59   and name HD1%)
   (  segid " 1SG" and resid 59   and name HD2%)
      2.100     0.600     0.600 peak   427 spectrum    1 weight  0.10000E+01 volume  0.84557E-02 ppm1      0.863 ppm2      0.716 CV     1
 ASSI {  435}
   (( segid " 1SG" and resid 94   and name HE1 ))
   (( segid " 1SG" and resid 94   and name HD2 ))
      2.100     0.500     0.500 peak   435 spectrum    1 weight  0.10000E+01 volume  0.82942E-02 ppm1      2.967 ppm2      1.689 CV     1
 OR {  435}
   (( segid " 1SG" and resid 94   and name HE1 ))
   (( segid " 1SG" and resid 94   and name HD1 ))
 OR {  435}
   (( segid " 1SG" and resid 94   and name HE2 ))
   (( segid " 1SG" and resid 94   and name HD2 ))
 OR {  435}
   (( segid " 1SG" and resid 94   and name HE2 ))
   (( segid " 1SG" and resid 94   and name HD1 ))
 ASSI {  438}
   (( segid " 1SG" and resid 108  and name HG2 ))
   (  segid " 1SG" and resid 18   and name HG2%)
      2.300     0.600     0.600 peak   438 spectrum    1 weight  0.10000E+01 volume  0.84218E-02 ppm1      2.209 ppm2      0.961 CV     1
 OR {  438}
   (( segid " 1SG" and resid 108  and name HG1 ))
   (  segid " 1SG" and resid 18   and name HG2%)
 ASSI {  443}
   (  segid " 1SG" and resid 106  and name HG2%)
   (  segid " 1SG" and resid 106  and name HG1%)
      2.100     0.600     0.600 peak   443 spectrum    1 weight  0.10000E+01 volume  0.80787E-02 ppm1      0.390 ppm2      0.692 CV     1
 ASSI {  458}
   (  segid " 1SG" and resid 23   and name HG2%)
   (( segid " 1SG" and resid 23   and name HB  ))
      2.200     0.600     0.600 peak   458 spectrum    1 weight  0.10000E+01 volume  0.78274E-02 ppm1      0.783 ppm2      3.578 CV     1
 ASSI {  460}
   (( segid " 1SG" and resid 50   and name HB2 ))
   (( segid " 1SG" and resid 50   and name HA  ))
      2.100     0.600     0.600 peak   460 spectrum    1 weight  0.10000E+01 volume  0.84218E-02 ppm1      4.031 ppm2      3.944 CV     1
 ASSI {  463}
   (( segid " 1SG" and resid 35   and name HE2 ))
   (( segid " 1SG" and resid 35   and name HD2 ))
      2.100     0.600     0.600 peak   463 spectrum    1 weight  0.10000E+01 volume  0.76421E-02 ppm1      2.950 ppm2      1.649 CV     1
 OR {  463}
   (( segid " 1SG" and resid 35   and name HE1 ))
   (( segid " 1SG" and resid 35   and name HD1 ))
 OR {  463}
   (( segid " 1SG" and resid 35   and name HE2 ))
   (( segid " 1SG" and resid 35   and name HD1 ))
 OR {  463}
   (( segid " 1SG" and resid 35   and name HE1 ))
   (( segid " 1SG" and resid 35   and name HD2 ))
 ASSI {  464}
   (( segid " 1SG" and resid 4    and name HA  ))
   (  segid " 1SG" and resid 4    and name HG2%)
      2.200     0.600     0.600 peak   464 spectrum    1 weight  0.10000E+01 volume  0.84218E-02 ppm1      4.027 ppm2      0.915 CV     1
 ASSI {  478}
   (  segid " 1SG" and resid 84   and name HG2%)
   (( segid " 1SG" and resid 105  and name HA  ))
      2.200     0.600     0.600 peak   478 spectrum    1 weight  0.10000E+01 volume  0.73606E-02 ppm1      1.498 ppm2      4.518 CV     1
 ASSI {  480}
   (( segid " 1SG" and resid 17   and name HB  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      2.200     0.600     0.600 peak   480 spectrum    1 weight  0.10000E+01 volume  0.73349E-02 ppm1      4.089 ppm2      1.298 CV     1
 ASSI {  482}
   (  segid " 1SG" and resid 34   and name HD2%)
   (( segid " 1SG" and resid 34   and name HA  ))
      2.400     0.700     0.700 peak   482 spectrum    1 weight  0.10000E+01 volume  0.72865E-02 ppm1      0.863 ppm2      4.298 CV     1
 OR {  482}
   (  segid " 1SG" and resid 34   and name HD1%)
   (( segid " 1SG" and resid 34   and name HA  ))
 ASSI {  483}
   (  segid " 1SG" and resid 104  and name HD1%)
   (  segid " 1SG" and resid 16   and name HG2%)
      2.100     0.600     0.600 peak   483 spectrum    1 weight  0.10000E+01 volume  0.72808E-02 ppm1      0.982 ppm2      0.618 CV     1
 ASSI {  485}
   (  segid " 1SG" and resid 6    and name HD1%)
   (  segid " 1SG" and resid 6    and name HD2%)
      2.200     0.600     0.600 peak   485 spectrum    1 weight  0.10000E+01 volume  0.72193E-02 ppm1      0.674 ppm2      0.488 CV     1
 ASSI {  492}
   (  segid " 1SG" and resid 18   and name HG2%)
   (  segid " 1SG" and resid 106  and name HG2%)
      2.200     0.600     0.600 peak   492 spectrum    1 weight  0.10000E+01 volume  0.71389E-02 ppm1      0.966 ppm2      0.388 CV     1
 ASSI {  500}
   (( segid " 1SG" and resid 49   and name HG  ))
   (  segid " 1SG" and resid 49   and name HD1%)
      2.000     0.500     0.500 peak   500 spectrum    1 weight  0.10000E+01 volume  0.84632E-02 ppm1      0.799 ppm2      1.765 CV     1
 ASSI {  501}
   (  segid " 1SG" and resid 91   and name HG2%)
   (( segid " 1SG" and resid 37   and name HB2 ))
      2.300     0.700     0.700 peak   501 spectrum    1 weight  0.10000E+01 volume  0.84249E-02 ppm1      0.184 ppm2      1.380 CV     1
 OR {  501}
   (  segid " 1SG" and resid 91   and name HG1%)
   (( segid " 1SG" and resid 37   and name HB2 ))
 OR {  501}
   (  segid " 1SG" and resid 91   and name HG2%)
   (( segid " 1SG" and resid 37   and name HG2 ))
 ASSI {  504}
   (  segid " 1SG" and resid 69   and name HG1%)
   (( segid " 1SG" and resid 69   and name HA  ))
      2.100     0.600     0.600 peak   504 spectrum    1 weight  0.10000E+01 volume  0.69874E-02 ppm1      0.862 ppm2      4.593 CV     1
 OR {  504}
   (  segid " 1SG" and resid 69   and name HG2%)
   (( segid " 1SG" and resid 69   and name HA  ))
 ASSI {  507}
   (  segid " 1SG" and resid 38   and name HG2%)
   (( segid " 1SG" and resid 38   and name HB  ))
      2.200     0.600     0.600 peak   507 spectrum    1 weight  0.10000E+01 volume  0.69535E-02 ppm1      0.828 ppm2      1.896 CV     1
 OR {  507}
   (  segid " 1SG" and resid 38   and name HG1%)
   (( segid " 1SG" and resid 38   and name HB  ))
 ASSI {  511}
   (( segid " 1SG" and resid 77   and name HB  ))
   (  segid " 1SG" and resid 77   and name HG2%)
      2.200     0.600     0.600 peak   511 spectrum    1 weight  0.10000E+01 volume  0.69309E-02 ppm1      4.025 ppm2      1.045 CV     1
 ASSI {  515}
   (  segid " 1SG" and resid 47   and name HG2%)
   (  segid " 1SG" and resid 47   and name HG1%)
      2.200     0.600     0.600 peak   515 spectrum    1 weight  0.10000E+01 volume  0.69014E-02 ppm1      0.794 ppm2      0.992 CV     1
 ASSI {  522}
   (  segid " 1SG" and resid 39   and name HG1%)
   (  segid " 1SG" and resid 39   and name HG2%)
      2.200     0.600     0.600 peak   522 spectrum    1 weight  0.10000E+01 volume  0.68071E-02 ppm1     -0.062 ppm2     -0.447 CV     1
 ASSI {  524}
   (( segid " 1SG" and resid 52   and name HD2 ))
   (( segid " 1SG" and resid 52   and name HG2 ))
      2.200     0.600     0.600 peak   524 spectrum    1 weight  0.10000E+01 volume  0.67826E-02 ppm1      1.579 ppm2      1.341 CV     1
 OR {  524}
   (( segid " 1SG" and resid 52   and name HD1 ))
   (( segid " 1SG" and resid 52   and name HG1 ))
 OR {  524}
   (( segid " 1SG" and resid 52   and name HD1 ))
   (( segid " 1SG" and resid 52   and name HG2 ))
 OR {  524}
   (( segid " 1SG" and resid 52   and name HD2 ))
   (( segid " 1SG" and resid 52   and name HG1 ))
 ASSI {  527}
   (( segid " 1SG" and resid 49   and name HG  ))
   (  segid " 1SG" and resid 59   and name HD1%)
      2.600     2.600     3.400 peak   527 spectrum    1 weight  0.10000E+01 volume  0.84280E-02 ppm1      0.848 ppm2      0.850 CV     1
 ASSI {  536}
   (  segid " 1SG" and resid 38   and name HG1%)
   (( segid " 1SG" and resid 38   and name HA  ))
      2.300     0.600     0.600 peak   536 spectrum    1 weight  0.10000E+01 volume  0.66941E-02 ppm1      0.835 ppm2      3.900 CV     1
 OR {  536}
   (  segid " 1SG" and resid 38   and name HG2%)
   (( segid " 1SG" and resid 38   and name HA  ))
 ASSI {  541}
   (  segid " 1SG" and resid 59   and name HD2%)
   (  segid " 1SG" and resid 74   and name HD2%)
      2.300     0.700     0.700 peak   541 spectrum    1 weight  0.10000E+01 volume  0.66821E-02 ppm1      0.714 ppm2      0.412 CV     1
 OR {  541}
   (  segid " 1SG" and resid 59   and name HD2%)
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI {  544}
   (( segid " 1SG" and resid 54   and name HA1 ))
   (( segid " 1SG" and resid 54   and name HA2 ))
      2.000     0.500     0.500 peak   544 spectrum    1 weight  0.10000E+01 volume  0.66696E-02 ppm1      3.915 ppm2      4.302 CV     1
 ASSI {  547}
   (  segid " 1SG" and resid 33   and name HD1%)
   (( segid " 1SG" and resid 33   and name HA  ))
      2.500     0.800     0.800 peak   547 spectrum    1 weight  0.10000E+01 volume  0.66450E-02 ppm1      0.873 ppm2      4.455 CV     1
 OR {  547}
   (  segid " 1SG" and resid 33   and name HD2%)
   (( segid " 1SG" and resid 33   and name HA  ))
 ASSI {  548}
   (  segid " 1SG" and resid 28   and name HG1%)
   (  segid " 1SG" and resid 29   and name HB% )
      2.500     2.500     3.500 peak   548 spectrum    1 weight  0.10000E+01 volume  0.84280E-02 ppm1      0.819 ppm2      1.521 CV     1
 ASSI {  558}
   (  segid " 1SG" and resid 29   and name HB% )
   (( segid " 1SG" and resid 29   and name HA  ))
      2.200     0.600     0.600 peak   558 spectrum    1 weight  0.10000E+01 volume  0.64817E-02 ppm1      1.520 ppm2      4.393 CV     1
 ASSI {  563}
   (  segid " 1SG" and resid 104  and name HD2%)
   (  segid " 1SG" and resid 106  and name HG1%)
      2.300     0.700     0.700 peak   563 spectrum    1 weight  0.10000E+01 volume  0.63768E-02 ppm1      0.837 ppm2      0.684 CV     1
 ASSI {  571}
   (  segid " 1SG" and resid 93   and name HG2%)
   (( segid " 1SG" and resid 93   and name HB  ))
      2.200     0.600     0.600 peak   571 spectrum    1 weight  0.10000E+01 volume  0.63121E-02 ppm1      1.040 ppm2      4.557 CV     1
 ASSI {  572}
   (  segid " 1SG" and resid 104  and name HD2%)
   (  segid " 1SG" and resid 104  and name HD1%)
      2.200     0.600     0.600 peak   572 spectrum    1 weight  0.10000E+01 volume  0.62876E-02 ppm1      0.836 ppm2      0.981 CV     1
 ASSI {  574}
   (  segid " 1SG" and resid 53   and name HG2%)
   (( segid " 1SG" and resid 53   and name HB  ))
      2.200     0.600     0.600 peak   574 spectrum    1 weight  0.10000E+01 volume  0.62569E-02 ppm1      1.080 ppm2      2.129 CV     1
 OR {  574}
   (  segid " 1SG" and resid 53   and name HG1%)
   (( segid " 1SG" and resid 53   and name HB  ))
 ASSI {  581}
   (( segid " 1SG" and resid 67   and name HB1 ))
   (( segid " 1SG" and resid 67   and name HA  ))
      2.300     0.700     0.700 peak   581 spectrum    1 weight  0.10000E+01 volume  0.61771E-02 ppm1      3.729 ppm2      4.301 CV     1
 OR {  581}
   (( segid " 1SG" and resid 67   and name HB2 ))
   (( segid " 1SG" and resid 67   and name HA  ))
 ASSI {  582}
   (( segid " 1SG" and resid 53   and name HB  ))
   (  segid " 1SG" and resid 53   and name HG1%)
      2.200     0.600     0.600 peak   582 spectrum    1 weight  0.10000E+01 volume  0.61722E-02 ppm1      2.134 ppm2      1.116 CV     1
 ASSI {  589}
   (  segid " 1SG" and resid 76   and name HG2%)
   (  segid " 1SG" and resid 57   and name HD2%)
      2.700     0.900     0.900 peak   589 spectrum    1 weight  0.10000E+01 volume  0.84337E-02 ppm1      0.826 ppm2      0.616 CV     1
 OR {  589}
   (  segid " 1SG" and resid 76   and name HG2%)
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI {  592}
   (( segid " 1SG" and resid 53   and name HB  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      2.200     0.600     0.600 peak   592 spectrum    1 weight  0.10000E+01 volume  0.60761E-02 ppm1      2.134 ppm2      1.084 CV     1
 ASSI {  594}
   (  segid " 1SG" and resid 76   and name HD1%)
   (  segid " 1SG" and resid 74   and name HD1%)
      2.000     0.500     0.500 peak   594 spectrum    1 weight  0.10000E+01 volume  0.84337E-02 ppm1      0.676 ppm2      0.417 CV     1
 ASSI {  604}
   (( segid " 1SG" and resid 85   and name HA1 ))
   (( segid " 1SG" and resid 85   and name HA2 ))
      2.000     0.500     0.500 peak   604 spectrum    1 weight  0.10000E+01 volume  0.59906E-02 ppm1      3.939 ppm2      4.518 CV     1
 ASSI {  606}
   (( segid " 1SG" and resid 89   and name HA  ))
   (( segid " 1SG" and resid 99   and name HB2 ))
      2.400     2.400     3.600 peak   606 spectrum    1 weight  0.10000E+01 volume  0.84337E-02 ppm1      4.981 ppm2      2.748 CV     1
 ASSI {  611}
   (( segid " 1SG" and resid 20   and name HA2 ))
   (( segid " 1SG" and resid 20   and name HA1 ))
      2.000     0.500     0.500 peak   611 spectrum    1 weight  0.10000E+01 volume  0.59020E-02 ppm1      4.387 ppm2      3.737 CV     1
 ASSI {  612}
   (  segid " 1SG" and resid 18   and name HG1%)
   (( segid " 1SG" and resid 18   and name HB  ))
      2.300     0.600     0.600 peak   612 spectrum    1 weight  0.10000E+01 volume  0.58954E-02 ppm1      1.013 ppm2      1.941 CV     1
 ASSI {  613}
   (( segid " 1SG" and resid 3    and name HD1 ))
   (( segid " 1SG" and resid 2    and name HA  ))
      2.300     0.600     0.600 peak   613 spectrum    1 weight  0.10000E+01 volume  0.58777E-02 ppm1      3.854 ppm2      4.913 CV     1
 OR {  613}
   (( segid " 1SG" and resid 3    and name HD2 ))
   (( segid " 1SG" and resid 2    and name HA  ))
 ASSI {  617}
   (( segid " 1SG" and resid 84   and name HB  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      2.300     0.700     0.700 peak   617 spectrum    1 weight  0.10000E+01 volume  0.58265E-02 ppm1      4.220 ppm2      1.497 CV     1
 ASSI {  623}
   (( segid " 1SG" and resid 38   and name HB  ))
   (  segid " 1SG" and resid 38   and name HG2%)
      2.300     0.700     0.700 peak   623 spectrum    1 weight  0.10000E+01 volume  0.57730E-02 ppm1      1.893 ppm2      0.790 CV     1
 ASSI {  625}
   (( segid " 1SG" and resid 49   and name HG  ))
   (  segid " 1SG" and resid 49   and name HD2%)
      2.100     0.600     0.600 peak   625 spectrum    1 weight  0.10000E+01 volume  0.57302E-02 ppm1      0.805 ppm2      1.028 CV     1
 ASSI {  628}
   (  segid " 1SG" and resid 91   and name HG2%)
   (  segid " 1SG" and resid 39   and name HG2%)
      2.300     0.700     0.700 peak   628 spectrum    1 weight  0.10000E+01 volume  0.56762E-02 ppm1      0.172 ppm2     -0.446 CV     1
 OR {  628}
   (  segid " 1SG" and resid 91   and name HG1%)
   (  segid " 1SG" and resid 39   and name HG2%)
 ASSI {  629}
   (  segid " 1SG" and resid 106  and name HG2%)
   (  segid " 1SG" and resid 18   and name HG2%)
      2.300     0.700     0.700 peak   629 spectrum    1 weight  0.10000E+01 volume  0.55891E-02 ppm1      0.390 ppm2      0.968 CV     1
 OR {  629}
   (  segid " 1SG" and resid 106  and name HG2%)
   (  segid " 1SG" and resid 18   and name HG1%)
 ASSI {  638}
   (  segid " 1SG" and resid 74   and name HD2%)
   (  segid " 1SG" and resid 26   and name HB% )
      1.900     1.900     4.100 peak   638 spectrum    1 weight  0.10000E+01 volume  0.84337E-02 ppm1      0.410 ppm2      1.483 CV     1
 OR {  638}
   (  segid " 1SG" and resid 74   and name HD1%)
   (  segid " 1SG" and resid 26   and name HB% )
 ASSI {  647}
   (( segid " 1SG" and resid 15   and name HB1 ))
   (( segid " 1SG" and resid 15   and name HG1 ))
      2.300     0.700     0.700 peak   647 spectrum    1 weight  0.10000E+01 volume  0.54106E-02 ppm1      2.041 ppm2      2.277 CV     1
 OR {  647}
   (( segid " 1SG" and resid 15   and name HB2 ))
   (( segid " 1SG" and resid 15   and name HG2 ))
 OR {  647}
   (( segid " 1SG" and resid 15   and name HB2 ))
   (( segid " 1SG" and resid 15   and name HG1 ))
 OR {  647}
   (( segid " 1SG" and resid 15   and name HB1 ))
   (( segid " 1SG" and resid 15   and name HG2 ))
 ASSI {  649}
   (  segid " 1SG" and resid 105  and name HG2%)
   (( segid " 1SG" and resid 105  and name HA  ))
      2.300     0.700     0.700 peak   649 spectrum    1 weight  0.10000E+01 volume  0.53921E-02 ppm1      0.923 ppm2      4.518 CV     1
 ASSI {  650}
   (( segid " 1SG" and resid 4    and name HG12))
   (( segid " 1SG" and resid 96   and name HB2 ))
      2.500     2.500     3.500 peak   650 spectrum    1 weight  0.10000E+01 volume  0.53919E-02 ppm1      1.248 ppm2      1.588 CV     1
 ASSI {  651}
   (  segid " 1SG" and resid 8    and name HG2%)
   (( segid " 1SG" and resid 8    and name HA  ))
      2.400     0.700     0.700 peak   651 spectrum    1 weight  0.10000E+01 volume  0.53698E-02 ppm1      0.964 ppm2      4.174 CV     1
 OR {  651}
   (  segid " 1SG" and resid 8    and name HG1%)
   (( segid " 1SG" and resid 8    and name HA  ))
 ASSI {  653}
   (  segid " 1SG" and resid 57   and name HD2%)
   (  segid " 1SG" and resid 74   and name HD1%)
      2.200     0.600     0.600 peak   653 spectrum    1 weight  0.10000E+01 volume  0.53544E-02 ppm1      0.612 ppm2      0.416 CV     1
 OR {  653}
   (  segid " 1SG" and resid 57   and name HD2%)
   (  segid " 1SG" and resid 74   and name HD2%)
 OR {  653}
   (  segid " 1SG" and resid 57   and name HD1%)
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI {  655}
   (( segid " 1SG" and resid 92   and name HB1 ))
   (( segid " 1SG" and resid 92   and name HA  ))
      2.300     0.700     0.700 peak   655 spectrum    1 weight  0.10000E+01 volume  0.53409E-02 ppm1      3.943 ppm2      5.264 CV     1
 OR {  655}
   (( segid " 1SG" and resid 92   and name HB2 ))
   (( segid " 1SG" and resid 92   and name HA  ))
 ASSI {  656}
   (( segid " 1SG" and resid 38   and name HB  ))
   (  segid " 1SG" and resid 38   and name HG1%)
      2.300     0.700     0.700 peak   656 spectrum    1 weight  0.10000E+01 volume  0.53306E-02 ppm1      1.893 ppm2      0.842 CV     1
 ASSI {  667}
   (( segid " 1SG" and resid 94   and name HE2 ))
   (( segid " 1SG" and resid 94   and name HG2 ))
      2.400     0.700     0.700 peak   667 spectrum    1 weight  0.10000E+01 volume  0.51659E-02 ppm1      2.982 ppm2      1.410 CV     1
 OR {  667}
   (( segid " 1SG" and resid 94   and name HE1 ))
   (( segid " 1SG" and resid 94   and name HG2 ))
 OR {  667}
   (( segid " 1SG" and resid 94   and name HE2 ))
   (( segid " 1SG" and resid 94   and name HG1 ))
 OR {  667}
   (( segid " 1SG" and resid 94   and name HE1 ))
   (( segid " 1SG" and resid 94   and name HG1 ))
 ASSI {  669}
   (( segid " 1SG" and resid 18   and name HB  ))
   (  segid " 1SG" and resid 18   and name HG2%)
      2.300     0.700     0.700 peak   669 spectrum    1 weight  0.10000E+01 volume  0.51521E-02 ppm1      1.940 ppm2      0.968 CV     1
 OR {  669}
   (( segid " 1SG" and resid 18   and name HB  ))
   (  segid " 1SG" and resid 18   and name HG1%)
 ASSI {  676}
   (( segid " 1SG" and resid 32   and name HB1 ))
   (( segid " 1SG" and resid 33   and name HA  ))
      2.500     2.500     3.500 peak   676 spectrum    1 weight  0.10000E+01 volume  0.50968E-02 ppm1      3.910 ppm2      4.466 CV     1
 OR {  676}
   (( segid " 1SG" and resid 32   and name HB2 ))
   (( segid " 1SG" and resid 33   and name HA  ))
 ASSI {  677}
   (  segid " 1SG" and resid 104  and name HD1%)
   (  segid " 1SG" and resid 22   and name HD1%)
      2.500     0.800     0.800 peak   677 spectrum    1 weight  0.10000E+01 volume  0.50968E-02 ppm1      0.982 ppm2      0.547 CV     1
 ASSI {  679}
   (  segid " 1SG" and resid 47   and name HG1%)
   (( segid " 1SG" and resid 47   and name HA  ))
      2.300     0.700     0.700 peak   679 spectrum    1 weight  0.10000E+01 volume  0.50875E-02 ppm1      0.996 ppm2      4.076 CV     1
 ASSI {  681}
   (( segid " 1SG" and resid 68   and name HG1 ))
   (( segid " 1SG" and resid 68   and name HD2 ))
      2.300     0.700     0.700 peak   681 spectrum    1 weight  0.10000E+01 volume  0.50865E-02 ppm1      1.326 ppm2      1.682 CV     1
 OR {  681}
   (( segid " 1SG" and resid 68   and name HG1 ))
   (( segid " 1SG" and resid 68   and name HD1 ))
 OR {  681}
   (( segid " 1SG" and resid 68   and name HG2 ))
   (( segid " 1SG" and resid 68   and name HD2 ))
 OR {  681}
   (( segid " 1SG" and resid 68   and name HG2 ))
   (( segid " 1SG" and resid 68   and name HD1 ))
 ASSI {  684}
   (  segid " 1SG" and resid 53   and name HG2%)
   (( segid " 1SG" and resid 53   and name HA  ))
      2.100     0.500     0.500 peak   684 spectrum    1 weight  0.10000E+01 volume  0.84337E-02 ppm1      1.079 ppm2      4.054 CV     1
 OR {  684}
   (  segid " 1SG" and resid 53   and name HG1%)
   (( segid " 1SG" and resid 53   and name HA  ))
 ASSI {  685}
   (( segid " 1SG" and resid 44   and name HA1 ))
   (( segid " 1SG" and resid 44   and name HA2 ))
      2.000     0.500     0.500 peak   685 spectrum    1 weight  0.10000E+01 volume  0.50678E-02 ppm1      3.476 ppm2      3.825 CV     1
 ASSI {  689}
   (  segid " 1SG" and resid 57   and name HD1%)
   (( segid " 1SG" and resid 57   and name HG  ))
      2.100     0.600     0.600 peak   689 spectrum    1 weight  0.10000E+01 volume  0.50406E-02 ppm1      0.618 ppm2      0.749 CV     1
 OR {  689}
   (  segid " 1SG" and resid 57   and name HD2%)
   (( segid " 1SG" and resid 57   and name HG  ))
 ASSI {  690}
   (  segid " 1SG" and resid 53   and name HG1%)
   (  segid " 1SG" and resid 59   and name HD1%)
      2.400     2.400     3.600 peak   690 spectrum    1 weight  0.10000E+01 volume  0.84337E-02 ppm1      1.118 ppm2      0.869 CV     1
 ASSI {  691}
   (  segid " 1SG" and resid 53   and name HG1%)
   (  segid " 1SG" and resid 57   and name HD1%)
      2.500     0.800     0.800 peak   691 spectrum    1 weight  0.10000E+01 volume  0.84337E-02 ppm1      1.118 ppm2      0.614 CV     1
 OR {  691}
   (  segid " 1SG" and resid 53   and name HG1%)
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI {  692}
   (  segid " 1SG" and resid 53   and name HG1%)
   (  segid " 1SG" and resid 53   and name HG2%)
      2.100     0.600     0.600 peak   692 spectrum    1 weight  0.10000E+01 volume  0.84337E-02 ppm1      1.122 ppm2      1.070 CV     1
 ASSI {  695}
   (  segid " 1SG" and resid 53   and name HG2%)
   (  segid " 1SG" and resid 57   and name HD1%)
      2.300     0.700     0.700 peak   695 spectrum    1 weight  0.10000E+01 volume  0.49797E-02 ppm1      1.077 ppm2      0.618 CV     1
 OR {  695}
   (  segid " 1SG" and resid 53   and name HG2%)
   (  segid " 1SG" and resid 57   and name HD2%)
 OR {  695}
   (  segid " 1SG" and resid 53   and name HG1%)
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI {  698}
   (( segid " 1SG" and resid 68   and name HE2 ))
   (( segid " 1SG" and resid 68   and name HG2 ))
      2.400     0.700     0.700 peak   698 spectrum    1 weight  0.10000E+01 volume  0.49657E-02 ppm1      3.029 ppm2      1.285 CV     1
 OR {  698}
   (( segid " 1SG" and resid 68   and name HE1 ))
   (( segid " 1SG" and resid 68   and name HG2 ))
 OR {  698}
   (( segid " 1SG" and resid 68   and name HE2 ))
   (( segid " 1SG" and resid 68   and name HG1 ))
 OR {  698}
   (( segid " 1SG" and resid 68   and name HE1 ))
   (( segid " 1SG" and resid 68   and name HG1 ))
 ASSI {  699}
   (  segid " 1SG" and resid 53   and name HG1%)
   (( segid " 1SG" and resid 53   and name HA  ))
      2.100     0.600     0.600 peak   699 spectrum    1 weight  0.10000E+01 volume  0.84337E-02 ppm1      1.119 ppm2      4.050 CV     1
 ASSI {  712}
   (( segid " 1SG" and resid 27   and name HD2 ))
   (( segid " 1SG" and resid 27   and name HB2 ))
      2.300     0.700     0.700 peak   712 spectrum    1 weight  0.10000E+01 volume  0.48406E-02 ppm1      3.128 ppm2      1.583 CV     1
 OR {  712}
   (( segid " 1SG" and resid 27   and name HD1 ))
   (( segid " 1SG" and resid 27   and name HB1 ))
 OR {  712}
   (( segid " 1SG" and resid 27   and name HD1 ))
   (( segid " 1SG" and resid 27   and name HB2 ))
 OR {  712}
   (( segid " 1SG" and resid 27   and name HD2 ))
   (( segid " 1SG" and resid 27   and name HB1 ))
 ASSI {  725}
   (  segid " 1SG" and resid 71   and name HD1%)
   (( segid " 1SG" and resid 71   and name HB2 ))
      2.200     0.600     0.600 peak   725 spectrum    1 weight  0.10000E+01 volume  0.84494E-02 ppm1      0.856 ppm2      1.270 CV     1
 ASSI {  731}
   (  segid " 1SG" and resid 91   and name HG2%)
   (( segid " 1SG" and resid 91   and name HB  ))
      2.300     0.700     0.700 peak   731 spectrum    1 weight  0.10000E+01 volume  0.47437E-02 ppm1      0.175 ppm2      1.130 CV     1
 OR {  731}
   (  segid " 1SG" and resid 91   and name HG1%)
   (( segid " 1SG" and resid 91   and name HB  ))
 ASSI {  739}
   (( segid " 1SG" and resid 14   and name HA2 ))
   (( segid " 1SG" and resid 14   and name HA1 ))
      2.100     0.500     0.500 peak   739 spectrum    1 weight  0.10000E+01 volume  0.47047E-02 ppm1      4.937 ppm2      3.749 CV     1
 ASSI {  742}
   (( segid " 1SG" and resid 4    and name HG12))
   (  segid " 1SG" and resid 4    and name HD1%)
      2.300     0.700     0.700 peak   742 spectrum    1 weight  0.10000E+01 volume  0.46901E-02 ppm1      1.241 ppm2      0.966 CV     1
 ASSI {  745}
   (( segid " 1SG" and resid 43   and name HE2 ))
   (( segid " 1SG" and resid 43   and name HG2 ))
      2.100     0.500     0.500 peak   745 spectrum    1 weight  0.10000E+01 volume  0.84607E-02 ppm1      2.518 ppm2      0.081 CV     1
 ASSI {  751}
   (  segid " 1SG" and resid 93   and name HG2%)
   (  segid " 1SG" and resid 6    and name HD1%)
      2.300     0.700     0.700 peak   751 spectrum    1 weight  0.10000E+01 volume  0.46401E-02 ppm1      1.039 ppm2      0.675 CV     1
 ASSI {  760}
   (( segid " 1SG" and resid 68   and name HD2 ))
   (( segid " 1SG" and resid 68   and name HE1 ))
      2.400     0.700     0.700 peak   760 spectrum    1 weight  0.10000E+01 volume  0.45736E-02 ppm1      1.678 ppm2      3.029 CV     1
 OR {  760}
   (( segid " 1SG" and resid 68   and name HD1 ))
   (( segid " 1SG" and resid 68   and name HE2 ))
 OR {  760}
   (( segid " 1SG" and resid 68   and name HD1 ))
   (( segid " 1SG" and resid 68   and name HE1 ))
 OR {  760}
   (( segid " 1SG" and resid 68   and name HD2 ))
   (( segid " 1SG" and resid 68   and name HE2 ))
 ASSI {  761}
   (  segid " 1SG" and resid 6    and name HD1%)
   (( segid " 1SG" and resid 6    and name HA  ))
      2.300     0.700     0.700 peak   761 spectrum    1 weight  0.10000E+01 volume  0.45563E-02 ppm1      0.673 ppm2      4.461 CV     1
 ASSI {  765}
   (  segid " 1SG" and resid 79   and name HB% )
   (  segid " 1SG" and resid 106  and name HG1%)
      2.600     0.900     0.900 peak   765 spectrum    1 weight  0.10000E+01 volume  0.45333E-02 ppm1      1.194 ppm2      0.689 CV     1
 ASSI {  772}
   (  segid " 1SG" and resid 6    and name HD2%)
   (( segid " 1SG" and resid 6    and name HG  ))
      2.300     0.700     0.700 peak   772 spectrum    1 weight  0.10000E+01 volume  0.44899E-02 ppm1      0.496 ppm2      1.330 CV     1
 ASSI {  773}
   (( segid " 1SG" and resid 93   and name HB  ))
   (( segid " 1SG" and resid 93   and name HA  ))
      2.400     0.700     0.700 peak   773 spectrum    1 weight  0.10000E+01 volume  0.44796E-02 ppm1      4.558 ppm2      4.791 CV     1
 ASSI {  775}
   (  segid " 1SG" and resid 77   and name HG2%)
   (( segid " 1SG" and resid 77   and name HA  ))
      2.300     0.700     0.700 peak   775 spectrum    1 weight  0.10000E+01 volume  0.44731E-02 ppm1      1.047 ppm2      4.663 CV     1
 ASSI {  776}
   (( segid " 1SG" and resid 108  and name HG2 ))
   (( segid " 1SG" and resid 108  and name HB2 ))
      2.400     0.700     0.700 peak   776 spectrum    1 weight  0.10000E+01 volume  0.44671E-02 ppm1      2.213 ppm2      1.913 CV     1
 OR {  776}
   (( segid " 1SG" and resid 108  and name HG1 ))
   (( segid " 1SG" and resid 108  and name HB2 ))
 ASSI {  777}
   (( segid " 1SG" and resid 65   and name HD1 ))
   (( segid " 1SG" and resid 65   and name HB1 ))
      2.500     0.800     0.800 peak   777 spectrum    1 weight  0.10000E+01 volume  0.44652E-02 ppm1      3.235 ppm2      1.762 CV     1
 OR {  777}
   (( segid " 1SG" and resid 65   and name HD2 ))
   (( segid " 1SG" and resid 65   and name HB1 ))
 OR {  777}
   (( segid " 1SG" and resid 65   and name HD1 ))
   (( segid " 1SG" and resid 65   and name HB2 ))
 OR {  777}
   (( segid " 1SG" and resid 65   and name HD2 ))
   (( segid " 1SG" and resid 65   and name HB2 ))
 ASSI {  778}
   (  segid " 1SG" and resid 39   and name HG2%)
   (  segid " 1SG" and resid 91   and name HG2%)
      2.400     0.700     0.700 peak   778 spectrum    1 weight  0.10000E+01 volume  0.44614E-02 ppm1     -0.446 ppm2      0.165 CV     1
 ASSI {  785}
   (( segid " 1SG" and resid 16   and name HA  ))
   (  segid " 1SG" and resid 16   and name HG1%)
      2.500     0.800     0.800 peak   785 spectrum    1 weight  0.10000E+01 volume  0.44397E-02 ppm1      4.604 ppm2      0.981 CV     1
 ASSI {  787}
   (( segid " 1SG" and resid 61   and name HB2 ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      2.800     2.800     3.200 peak   787 spectrum    1 weight  0.10000E+01 volume  0.44271E-02 ppm1      2.304 ppm2      2.785 CV     1
 ASSI {  795}
   (( segid " 1SG" and resid 30   and name HA1 ))
   (( segid " 1SG" and resid 30   and name HA2 ))
      2.100     0.600     0.600 peak   795 spectrum    1 weight  0.10000E+01 volume  0.43837E-02 ppm1      3.952 ppm2      4.673 CV     1
 ASSI {  798}
   (( segid " 1SG" and resid 35   and name HE2 ))
   (  segid " 1SG" and resid 38   and name HG2%)
      2.400     0.700     0.700 peak   798 spectrum    1 weight  0.10000E+01 volume  0.43781E-02 ppm1      2.906 ppm2      0.791 CV     1
 OR {  798}
   (( segid " 1SG" and resid 35   and name HE1 ))
   (  segid " 1SG" and resid 38   and name HG2%)
 ASSI {  801}
   (  segid " 1SG" and resid 28   and name HG2%)
   (  segid " 1SG" and resid 91   and name HG2%)
      2.700     0.900     0.900 peak   801 spectrum    1 weight  0.10000E+01 volume  0.43602E-02 ppm1      0.651 ppm2      0.165 CV     1
 ASSI {  802}
   (( segid " 1SG" and resid 79   and name HA  ))
   (  segid " 1SG" and resid 79   and name HB% )
      2.300     0.700     0.700 peak   802 spectrum    1 weight  0.10000E+01 volume  0.43554E-02 ppm1      3.689 ppm2      1.194 CV     1
 ASSI {  804}
   (  segid " 1SG" and resid 91   and name HG1%)
   (  segid " 1SG" and resid 6    and name HD2%)
      2.400     0.700     0.700 peak   804 spectrum    1 weight  0.10000E+01 volume  0.43512E-02 ppm1      0.186 ppm2      0.489 CV     1
 OR {  804}
   (  segid " 1SG" and resid 91   and name HG2%)
   (  segid " 1SG" and resid 6    and name HD2%)
 ASSI {  808}
   (( segid " 1SG" and resid 57   and name HG  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      2.100     0.600     0.600 peak   808 spectrum    1 weight  0.10000E+01 volume  0.43240E-02 ppm1      0.750 ppm2      1.460 CV     1
 ASSI {  814}
   (( segid " 1SG" and resid 34   and name HA  ))
   (( segid " 1SG" and resid 34   and name HB1 ))
      2.400     0.700     0.700 peak   814 spectrum    1 weight  0.10000E+01 volume  0.43046E-02 ppm1      4.298 ppm2      1.673 CV     1
 OR {  814}
   (( segid " 1SG" and resid 34   and name HA  ))
   (( segid " 1SG" and resid 34   and name HB2 ))
 ASSI {  816}
   (  segid " 1SG" and resid 16   and name HG2%)
   (  segid " 1SG" and resid 79   and name HB% )
      2.400     0.700     0.700 peak   816 spectrum    1 weight  0.10000E+01 volume  0.42937E-02 ppm1      0.628 ppm2      1.196 CV     1
 ASSI {  818}
   (( segid " 1SG" and resid 12   and name HG1 ))
   (( segid " 1SG" and resid 12   and name HB2 ))
      2.400     0.700     0.700 peak   818 spectrum    1 weight  0.10000E+01 volume  0.42863E-02 ppm1      2.482 ppm2      1.977 CV     1
 OR {  818}
   (( segid " 1SG" and resid 12   and name HG2 ))
   (( segid " 1SG" and resid 12   and name HB2 ))
 ASSI {  826}
   (  segid " 1SG" and resid 26   and name HB% )
   (( segid " 1SG" and resid 26   and name HA  ))
      2.300     0.700     0.700 peak   826 spectrum    1 weight  0.10000E+01 volume  0.42339E-02 ppm1      1.469 ppm2      4.924 CV     1
 ASSI {  828}
   (( segid " 1SG" and resid 80   and name HG2 ))
   (( segid " 1SG" and resid 80   and name HB2 ))
      2.400     0.700     0.700 peak   828 spectrum    1 weight  0.10000E+01 volume  0.42024E-02 ppm1      2.181 ppm2      1.949 CV     1
 OR {  828}
   (( segid " 1SG" and resid 80   and name HG1 ))
   (( segid " 1SG" and resid 80   and name HB1 ))
 OR {  828}
   (( segid " 1SG" and resid 80   and name HG2 ))
   (( segid " 1SG" and resid 80   and name HB1 ))
 OR {  828}
   (( segid " 1SG" and resid 80   and name HG1 ))
   (( segid " 1SG" and resid 80   and name HB2 ))
 ASSI {  836}
   (  segid " 1SG" and resid 4    and name HG2%)
   (( segid " 1SG" and resid 4    and name HB  ))
      2.300     0.600     0.600 peak   836 spectrum    1 weight  0.10000E+01 volume  0.40678E-02 ppm1      0.914 ppm2      2.051 CV     1
 ASSI {  837}
   (  segid " 1SG" and resid 33   and name HD2%)
   (  segid " 1SG" and resid 93   and name HG2%)
      2.500     0.800     0.800 peak   837 spectrum    1 weight  0.10000E+01 volume  0.40667E-02 ppm1      0.872 ppm2      1.036 CV     1
 OR {  837}
   (  segid " 1SG" and resid 33   and name HD1%)
   (  segid " 1SG" and resid 93   and name HG2%)
 ASSI {  845}
   (  segid " 1SG" and resid 23   and name HG2%)
   (( segid " 1SG" and resid 23   and name HA  ))
      2.400     0.700     0.700 peak   845 spectrum    1 weight  0.10000E+01 volume  0.40293E-02 ppm1      0.784 ppm2      5.116 CV     1
 ASSI {  852}
   (( segid " 1SG" and resid 45   and name HD2 ))
   (( segid " 1SG" and resid 45   and name HG2 ))
      2.400     0.700     0.700 peak   852 spectrum    1 weight  0.10000E+01 volume  0.40002E-02 ppm1      1.241 ppm2      0.603 CV     1
 OR {  852}
   (( segid " 1SG" and resid 45   and name HD1 ))
   (( segid " 1SG" and resid 45   and name HG2 ))
 OR {  852}
   (( segid " 1SG" and resid 45   and name HD1 ))
   (( segid " 1SG" and resid 45   and name HB2 ))
 OR {  852}
   (( segid " 1SG" and resid 45   and name HD2 ))
   (( segid " 1SG" and resid 45   and name HB2 ))
 ASSI {  854}
   (  segid " 1SG" and resid 39   and name HG2%)
   (( segid " 1SG" and resid 39   and name HB  ))
      2.400     0.700     0.700 peak   854 spectrum    1 weight  0.10000E+01 volume  0.39777E-02 ppm1     -0.446 ppm2      0.589 CV     1
 ASSI {  859}
   (  segid " 1SG" and resid 104  and name HD2%)
   (  segid " 1SG" and resid 16   and name HG2%)
      2.600     0.900     0.900 peak   859 spectrum    1 weight  0.10000E+01 volume  0.39210E-02 ppm1      0.837 ppm2      0.615 CV     1
 ASSI {  862}
   (  segid " 1SG" and resid 16   and name HG2%)
   (  segid " 1SG" and resid 106  and name HG2%)
      2.500     0.800     0.800 peak   862 spectrum    1 weight  0.10000E+01 volume  0.39123E-02 ppm1      0.633 ppm2      0.390 CV     1
 ASSI {  866}
   (( segid " 1SG" and resid 55   and name HG2 ))
   (( segid " 1SG" and resid 55   and name HA  ))
      2.500     0.800     0.800 peak   866 spectrum    1 weight  0.10000E+01 volume  0.38878E-02 ppm1      1.990 ppm2      4.001 CV     1
 OR {  866}
   (( segid " 1SG" and resid 55   and name HG1 ))
   (( segid " 1SG" and resid 55   and name HA  ))
 ASSI {  867}
   (  segid " 1SG" and resid 59   and name HD2%)
   (( segid " 1SG" and resid 59   and name HA  ))
      2.400     0.700     0.700 peak   867 spectrum    1 weight  0.10000E+01 volume  0.38749E-02 ppm1      0.713 ppm2      5.190 CV     1
 ASSI {  873}
   (( segid " 1SG" and resid 91   and name HB  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      2.400     0.700     0.700 peak   873 spectrum    1 weight  0.10000E+01 volume  0.38488E-02 ppm1      1.132 ppm2      0.172 CV     1
 ASSI {  882}
   (( segid " 1SG" and resid 38   and name HA  ))
   (  segid " 1SG" and resid 38   and name HG2%)
      2.500     0.800     0.800 peak   882 spectrum    1 weight  0.10000E+01 volume  0.37952E-02 ppm1      3.900 ppm2      0.791 CV     1
 ASSI {  883}
   (( segid " 1SG" and resid 37   and name HG2 ))
   (( segid " 1SG" and resid 94   and name HG2 ))
      3.000     3.000     3.000 peak   883 spectrum    1 weight  0.10000E+01 volume  0.37926E-02 ppm1      1.387 ppm2      1.395 CV     1
 OR {  883}
   (( segid " 1SG" and resid 37   and name HG2 ))
   (( segid " 1SG" and resid 94   and name HG1 ))
 ASSI {  885}
   (( segid " 1SG" and resid 62   and name HB2 ))
   (( segid " 1SG" and resid 62   and name HA  ))
      2.800     1.000     1.000 peak   885 spectrum    1 weight  0.10000E+01 volume  0.37825E-02 ppm1      3.814 ppm2      4.609 CV     1
 ASSI {  887}
   (  segid " 1SG" and resid 93   and name HG2%)
   (( segid " 1SG" and resid 93   and name HA  ))
      2.400     0.700     0.700 peak   887 spectrum    1 weight  0.10000E+01 volume  0.37805E-02 ppm1      1.040 ppm2      4.794 CV     1
 ASSI {  894}
   (( segid " 1SG" and resid 52   and name HD2 ))
   (  segid " 1SG" and resid 47   and name HG1%)
      2.500     2.500     3.500 peak   894 spectrum    1 weight  0.10000E+01 volume  0.37472E-02 ppm1      1.585 ppm2      0.965 CV     1
 OR {  894}
   (( segid " 1SG" and resid 52   and name HD1 ))
   (  segid " 1SG" and resid 47   and name HG1%)
 ASSI {  895}
   (( segid " 1SG" and resid 49   and name HG  ))
   (( segid " 1SG" and resid 49   and name HB2 ))
      2.400     0.700     0.700 peak   895 spectrum    1 weight  0.10000E+01 volume  0.37435E-02 ppm1      0.800 ppm2      1.561 CV     1
 ASSI {  896}
   (  segid " 1SG" and resid 106  and name HG2%)
   (( segid " 1SG" and resid 106  and name HB  ))
      2.300     0.700     0.700 peak   896 spectrum    1 weight  0.10000E+01 volume  0.37417E-02 ppm1      0.392 ppm2      1.861 CV     1
 ASSI {  897}
   (  segid " 1SG" and resid 4    and name HD1%)
   (( segid " 1SG" and resid 96   and name HB2 ))
      2.400     0.700     0.700 peak   897 spectrum    1 weight  0.10000E+01 volume  0.37375E-02 ppm1      0.965 ppm2      1.581 CV     1
 ASSI {  902}
   (( segid " 1SG" and resid 96   and name HB2 ))
   (( segid " 1SG" and resid 94   and name HD2 ))
      2.400     0.700     0.700 peak   902 spectrum    1 weight  0.10000E+01 volume  0.37178E-02 ppm1      1.580 ppm2      1.690 CV     1
 OR {  902}
   (( segid " 1SG" and resid 96   and name HB2 ))
   (( segid " 1SG" and resid 94   and name HD1 ))
 ASSI {  908}
   (  segid " 1SG" and resid 106  and name HG1%)
   (( segid " 1SG" and resid 106  and name HB  ))
      2.300     0.700     0.700 peak   908 spectrum    1 weight  0.10000E+01 volume  0.36666E-02 ppm1      0.695 ppm2      1.859 CV     1
 ASSI {  910}
   (( segid " 1SG" and resid 96   and name HB2 ))
   (( segid " 1SG" and resid 96   and name HG2 ))
      2.300     0.700     0.700 peak   910 spectrum    1 weight  0.10000E+01 volume  0.36368E-02 ppm1      1.587 ppm2      1.335 CV     1
 OR {  910}
   (( segid " 1SG" and resid 96   and name HB2 ))
   (( segid " 1SG" and resid 96   and name HG1 ))
 ASSI {  913}
   (  segid " 1SG" and resid 59   and name HD1%)
   (( segid " 1SG" and resid 59   and name HG  ))
      2.300     0.700     0.700 peak   913 spectrum    1 weight  0.10000E+01 volume  0.36155E-02 ppm1      0.866 ppm2      1.440 CV     1
 ASSI {  931}
   (( segid " 1SG" and resid 65   and name HB2 ))
   (( segid " 1SG" and resid 65   and name HA  ))
      2.500     0.800     0.800 peak   931 spectrum    1 weight  0.10000E+01 volume  0.35378E-02 ppm1      1.768 ppm2      3.458 CV     1
 OR {  931}
   (( segid " 1SG" and resid 65   and name HB1 ))
   (( segid " 1SG" and resid 65   and name HA  ))
 ASSI {  932}
   (  segid " 1SG" and resid 71   and name HD1%)
   (( segid " 1SG" and resid 71   and name HA  ))
      2.400     0.700     0.700 peak   932 spectrum    1 weight  0.10000E+01 volume  0.35376E-02 ppm1      0.861 ppm2      5.068 CV     1
 ASSI {  934}
   (  segid " 1SG" and resid 39   and name HG1%)
   (( segid " 1SG" and resid 39   and name HB  ))
      2.400     0.700     0.700 peak   934 spectrum    1 weight  0.10000E+01 volume  0.35315E-02 ppm1     -0.065 ppm2      0.591 CV     1
 ASSI {  935}
   (( segid " 1SG" and resid 49   and name HG  ))
   (( segid " 1SG" and resid 49   and name HA  ))
      2.300     0.700     0.700 peak   935 spectrum    1 weight  0.10000E+01 volume  0.35283E-02 ppm1      0.803 ppm2      3.862 CV     1
 ASSI {  937}
   (( segid " 1SG" and resid 86   and name HA1 ))
   (( segid " 1SG" and resid 86   and name HA2 ))
      2.200     0.600     0.600 peak   937 spectrum    1 weight  0.10000E+01 volume  0.34973E-02 ppm1      3.487 ppm2      4.665 CV     1
 ASSI {  944}
   (( segid " 1SG" and resid 51   and name HA  ))
   (( segid " 1SG" and resid 51   and name HB2 ))
      2.500     0.800     0.800 peak   944 spectrum    1 weight  0.10000E+01 volume  0.34500E-02 ppm1      4.566 ppm2      4.025 CV     1
 ASSI {  947}
   (( segid " 1SG" and resid 16   and name HB  ))
   (  segid " 1SG" and resid 16   and name HG1%)
      2.400     0.700     0.700 peak   947 spectrum    1 weight  0.10000E+01 volume  0.34293E-02 ppm1      1.819 ppm2      0.980 CV     1
 ASSI {  949}
   (( segid " 1SG" and resid 16   and name HB  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      2.400     0.700     0.700 peak   949 spectrum    1 weight  0.10000E+01 volume  0.34225E-02 ppm1      1.824 ppm2      0.622 CV     1
 ASSI {  952}
   (( segid " 1SG" and resid 95   and name HA  ))
   (( segid " 1SG" and resid 95   and name HB2 ))
      2.500     0.800     0.800 peak   952 spectrum    1 weight  0.10000E+01 volume  0.34188E-02 ppm1      4.737 ppm2      2.633 CV     1
 ASSI {  953}
   (( segid " 1SG" and resid 77   and name HB  ))
   (( segid " 1SG" and resid 77   and name HA  ))
      2.300     0.700     0.700 peak   953 spectrum    1 weight  0.10000E+01 volume  0.34161E-02 ppm1      4.029 ppm2      4.666 CV     1
 ASSI {  955}
   (( segid " 1SG" and resid 53   and name HA  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      2.400     0.700     0.700 peak   955 spectrum    1 weight  0.10000E+01 volume  0.34109E-02 ppm1      4.054 ppm2      1.080 CV     1
 ASSI {  963}
   (  segid " 1SG" and resid 74   and name HD1%)
   (  segid " 1SG" and resid 49   and name HD2%)
      2.400     0.700     0.700 peak   963 spectrum    1 weight  0.10000E+01 volume  0.33669E-02 ppm1      0.410 ppm2      1.032 CV     1
 OR {  963}
   (  segid " 1SG" and resid 74   and name HD2%)
   (  segid " 1SG" and resid 49   and name HD2%)
 ASSI {  965}
   (( segid " 1SG" and resid 3    and name HD2 ))
   (( segid " 1SG" and resid 4    and name HB  ))
      2.200     2.200     3.800 peak   965 spectrum    1 weight  0.10000E+01 volume  0.33620E-02 ppm1      3.857 ppm2      2.022 CV     1
 OR {  965}
   (( segid " 1SG" and resid 3    and name HD1 ))
   (( segid " 1SG" and resid 4    and name HB  ))
 ASSI {  966}
   (( segid " 1SG" and resid 61   and name HA  ))
   (( segid " 1SG" and resid 72   and name HA  ))
      2.300     0.700     0.700 peak   966 spectrum    1 weight  0.10000E+01 volume  0.33561E-02 ppm1      5.559 ppm2      5.379 CV     1
 ASSI {  969}
   (  segid " 1SG" and resid 47   and name HG2%)
   (( segid " 1SG" and resid 47   and name HA  ))
      2.700     0.900     0.900 peak   969 spectrum    1 weight  0.10000E+01 volume  0.33429E-02 ppm1      0.793 ppm2      4.074 CV     1
 ASSI {  972}
   (  segid " 1SG" and resid 106  and name HG1%)
   (( segid " 1SG" and resid 106  and name HA  ))
      2.800     1.000     1.000 peak   972 spectrum    1 weight  0.10000E+01 volume  0.33205E-02 ppm1      0.694 ppm2      4.732 CV     1
 ASSI {  978}
   (  segid " 1SG" and resid 104  and name HD1%)
   (( segid " 1SG" and resid 104  and name HA  ))
      2.700     0.900     0.900 peak   978 spectrum    1 weight  0.10000E+01 volume  0.33037E-02 ppm1      0.981 ppm2      5.437 CV     1
 ASSI {  984}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 104  and name HB2 ))
      2.600     0.900     0.900 peak   984 spectrum    1 weight  0.10000E+01 volume  0.32664E-02 ppm1      0.549 ppm2      1.243 CV     1
 OR {  984}
   (  segid " 1SG" and resid 22   and name HD1%)
   (( segid " 1SG" and resid 104  and name HB2 ))
 ASSI {  989}
   (  segid " 1SG" and resid 71   and name HD2%)
   (( segid " 1SG" and resid 69   and name HB  ))
      2.200     2.200     3.800 peak   989 spectrum    1 weight  0.10000E+01 volume  0.32526E-02 ppm1      0.748 ppm2      1.766 CV     1
 ASSI {  990}
   (  segid " 1SG" and resid 18   and name HG2%)
   (( segid " 1SG" and resid 108  and name HA  ))
      2.400     0.700     0.700 peak   990 spectrum    1 weight  0.10000E+01 volume  0.32520E-02 ppm1      0.965 ppm2      4.151 CV     1
 ASSI {  991}
   (( segid " 1SG" and resid 55   and name HB2 ))
   (( segid " 1SG" and resid 55   and name HA  ))
      2.600     0.800     0.800 peak   991 spectrum    1 weight  0.10000E+01 volume  0.32488E-02 ppm1      1.787 ppm2      4.002 CV     1
 ASSI {  992}
   (( segid " 1SG" and resid 106  and name HA  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      2.500     0.800     0.800 peak   992 spectrum    1 weight  0.10000E+01 volume  0.32466E-02 ppm1      4.730 ppm2      0.388 CV     1
 ASSI {  993}
   (  segid " 1SG" and resid 4    and name HG2%)
   (( segid " 1SG" and resid 96   and name HB2 ))
      2.500     0.800     0.800 peak   993 spectrum    1 weight  0.10000E+01 volume  0.32383E-02 ppm1      0.918 ppm2      1.588 CV     1
 ASSI {  995}
   (( segid " 1SG" and resid 47   and name HB  ))
   (  segid " 1SG" and resid 47   and name HG1%)
      2.400     0.700     0.700 peak   995 spectrum    1 weight  0.10000E+01 volume  0.32200E-02 ppm1      2.530 ppm2      0.993 CV     1
 ASSI { 1002}
   (( segid " 1SG" and resid 47   and name HB  ))
   (  segid " 1SG" and resid 47   and name HG2%)
      2.400     0.700     0.700 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.31990E-02 ppm1      2.530 ppm2      0.796 CV     1
 ASSI { 1004}
   (( segid " 1SG" and resid 33   and name HA  ))
   (( segid " 1SG" and resid 33   and name HB2 ))
      2.500     0.800     0.800 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.31819E-02 ppm1      4.459 ppm2      1.732 CV     1
 ASSI { 1006}
   (( segid " 1SG" and resid 57   and name HA  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      2.200     0.600     0.600 peak  1006 spectrum    1 weight  0.10000E+01 volume  0.31769E-02 ppm1      5.429 ppm2      1.472 CV     1
 ASSI { 1008}
   (( segid " 1SG" and resid 77   and name HA  ))
   (( segid " 1SG" and resid 21   and name HA  ))
      2.100     0.600     0.600 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.31728E-02 ppm1      4.665 ppm2      5.519 CV     1
 ASSI { 1009}
   (( segid " 1SG" and resid 84   and name HA  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      2.500     0.800     0.800 peak  1009 spectrum    1 weight  0.10000E+01 volume  0.31690E-02 ppm1      4.230 ppm2      1.496 CV     1
 ASSI { 1011}
   (  segid " 1SG" and resid 59   and name HD1%)
   (  segid " 1SG" and resid 53   and name HG2%)
      2.500     0.800     0.800 peak  1011 spectrum    1 weight  0.10000E+01 volume  0.31632E-02 ppm1      0.870 ppm2      1.085 CV     1
 ASSI { 1019}
   (( segid " 1SG" and resid 35   and name HA  ))
   (( segid " 1SG" and resid 36   and name HD2 ))
      2.600     0.800     0.800 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.31322E-02 ppm1      4.673 ppm2      3.509 CV     1
 ASSI { 1021}
   (  segid " 1SG" and resid 22   and name HD1%)
   (( segid " 1SG" and resid 22   and name HG12))
      2.400     0.700     0.700 peak  1021 spectrum    1 weight  0.10000E+01 volume  0.31261E-02 ppm1      0.548 ppm2      0.108 CV     1
 OR { 1021}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 22   and name HG12))
 ASSI { 1023}
   (( segid " 1SG" and resid 108  and name HA  ))
   (  segid " 1SG" and resid 18   and name HG2%)
      2.500     0.800     0.800 peak  1023 spectrum    1 weight  0.10000E+01 volume  0.31210E-02 ppm1      4.150 ppm2      0.966 CV     1
 OR { 1023}
   (( segid " 1SG" and resid 108  and name HA  ))
   (  segid " 1SG" and resid 18   and name HG1%)
 ASSI { 1037}
   (  segid " 1SG" and resid 91   and name HG2%)
   (( segid " 1SG" and resid 91   and name HA  ))
      2.600     0.800     0.800 peak  1037 spectrum    1 weight  0.10000E+01 volume  0.30690E-02 ppm1      0.180 ppm2      4.756 CV     1
 OR { 1037}
   (  segid " 1SG" and resid 91   and name HG1%)
   (( segid " 1SG" and resid 91   and name HA  ))
 ASSI { 1038}
   (( segid " 1SG" and resid 53   and name HB  ))
   (( segid " 1SG" and resid 52   and name HB2 ))
      3.200     3.200     2.800 peak  1038 spectrum    1 weight  0.10000E+01 volume  0.30688E-02 ppm1      2.169 ppm2      1.731 CV     1
 ASSI { 1045}
   (( segid " 1SG" and resid 48   and name HB2 ))
   (( segid " 1SG" and resid 47   and name HB  ))
      2.800     2.800     3.200 peak  1045 spectrum    1 weight  0.10000E+01 volume  0.30365E-02 ppm1      2.947 ppm2      2.479 CV     1
 ASSI { 1047}
   (( segid " 1SG" and resid 16   and name HB  ))
   (( segid " 1SG" and resid 16   and name HA  ))
      2.500     0.800     0.800 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.30313E-02 ppm1      1.820 ppm2      4.604 CV     1
 ASSI { 1051}
   (( segid " 1SG" and resid 43   and name HD2 ))
   (  segid " 1SG" and resid 59   and name HD1%)
      3.100     3.100     2.900 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.30201E-02 ppm1      1.331 ppm2      0.856 CV     1
 OR { 1051}
   (( segid " 1SG" and resid 43   and name HD1 ))
   (  segid " 1SG" and resid 59   and name HD1%)
 ASSI { 1055}
   (( segid " 1SG" and resid 71   and name HB2 ))
   (( segid " 1SG" and resid 69   and name HB  ))
      2.400     2.400     3.600 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.30081E-02 ppm1      1.264 ppm2      1.770 CV     1
 ASSI { 1057}
   (  segid " 1SG" and resid 79   and name HB% )
   (  segid " 1SG" and resid 106  and name HG2%)
      2.500     0.800     0.800 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.30045E-02 ppm1      1.196 ppm2      0.392 CV     1
 ASSI { 1065}
   (( segid " 1SG" and resid 45   and name HG2 ))
   (  segid " 1SG" and resid 104  and name HD2%)
      2.800     2.800     3.200 peak  1065 spectrum    1 weight  0.10000E+01 volume  0.29712E-02 ppm1      0.602 ppm2      0.823 CV     1
 ASSI { 1077}
   (  segid " 1SG" and resid 69   and name HG1%)
   (( segid " 1SG" and resid 29   and name HA  ))
      2.600     0.900     0.900 peak  1077 spectrum    1 weight  0.10000E+01 volume  0.29162E-02 ppm1      0.863 ppm2      4.391 CV     1
 OR { 1077}
   (  segid " 1SG" and resid 69   and name HG2%)
   (( segid " 1SG" and resid 29   and name HA  ))
 ASSI { 1078}
   (( segid " 1SG" and resid 76   and name HB  ))
   (  segid " 1SG" and resid 76   and name HG2%)
      2.400     0.700     0.700 peak  1078 spectrum    1 weight  0.10000E+01 volume  0.28972E-02 ppm1      1.936 ppm2      0.826 CV     1
 ASSI { 1080}
   (( segid " 1SG" and resid 58   and name HB1 ))
   (( segid " 1SG" and resid 58   and name HG2 ))
      2.500     0.800     0.800 peak  1080 spectrum    1 weight  0.10000E+01 volume  0.28912E-02 ppm1      2.406 ppm2      1.814 CV     1
 OR { 1080}
   (( segid " 1SG" and resid 58   and name HB2 ))
   (( segid " 1SG" and resid 58   and name HG2 ))
 ASSI { 1082}
   (( segid " 1SG" and resid 57   and name HG  ))
   (  segid " 1SG" and resid 74   and name HD1%)
      2.800     1.000     1.000 peak  1082 spectrum    1 weight  0.10000E+01 volume  0.28856E-02 ppm1      0.751 ppm2      0.415 CV     1
 OR { 1082}
   (( segid " 1SG" and resid 57   and name HG  ))
   (  segid " 1SG" and resid 74   and name HD2%)
 ASSI { 1083}
   (( segid " 1SG" and resid 22   and name HG12))
   (( segid " 1SG" and resid 104  and name HB2 ))
      2.200     2.200     3.800 peak  1083 spectrum    1 weight  0.10000E+01 volume  0.28848E-02 ppm1      0.106 ppm2      1.251 CV     1
 ASSI { 1088}
   (  segid " 1SG" and resid 39   and name HG2%)
   (( segid " 1SG" and resid 39   and name HA  ))
      2.600     0.800     0.800 peak  1088 spectrum    1 weight  0.10000E+01 volume  0.28811E-02 ppm1     -0.447 ppm2      4.803 CV     1
 ASSI { 1092}
   (( segid " 1SG" and resid 18   and name HA  ))
   (  segid " 1SG" and resid 18   and name HG1%)
      2.500     0.800     0.800 peak  1092 spectrum    1 weight  0.10000E+01 volume  0.28578E-02 ppm1      3.510 ppm2      0.968 CV     1
 OR { 1092}
   (( segid " 1SG" and resid 18   and name HA  ))
   (  segid " 1SG" and resid 18   and name HG2%)
 ASSI { 1095}
   (( segid " 1SG" and resid 9    and name HG2 ))
   (( segid " 1SG" and resid 9    and name HB2 ))
      2.700     0.900     0.900 peak  1095 spectrum    1 weight  0.10000E+01 volume  0.28494E-02 ppm1      2.524 ppm2      1.911 CV     1
 ASSI { 1097}
   (( segid " 1SG" and resid 18   and name HA  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      2.400     0.700     0.700 peak  1097 spectrum    1 weight  0.10000E+01 volume  0.28404E-02 ppm1      3.516 ppm2      0.390 CV     1
 ASSI { 1101}
   (  segid " 1SG" and resid 28   and name HG1%)
   (  segid " 1SG" and resid 91   and name HG2%)
      2.600     0.800     0.800 peak  1101 spectrum    1 weight  0.10000E+01 volume  0.28156E-02 ppm1      0.830 ppm2      0.179 CV     1
 OR { 1101}
   (  segid " 1SG" and resid 28   and name HG1%)
   (  segid " 1SG" and resid 91   and name HG1%)
 ASSI { 1102}
   (( segid " 1SG" and resid 27   and name HD2 ))
   (( segid " 1SG" and resid 27   and name HG1 ))
      2.500     0.800     0.800 peak  1102 spectrum    1 weight  0.10000E+01 volume  0.28118E-02 ppm1      3.131 ppm2      1.704 CV     1
 OR { 1102}
   (( segid " 1SG" and resid 27   and name HD1 ))
   (( segid " 1SG" and resid 27   and name HG2 ))
 OR { 1102}
   (( segid " 1SG" and resid 27   and name HD2 ))
   (( segid " 1SG" and resid 27   and name HG2 ))
 OR { 1102}
   (( segid " 1SG" and resid 27   and name HD1 ))
   (( segid " 1SG" and resid 27   and name HG1 ))
 ASSI { 1105}
   (  segid " 1SG" and resid 28   and name HG2%)
   (( segid " 1SG" and resid 28   and name HA  ))
      2.600     0.900     0.900 peak  1105 spectrum    1 weight  0.10000E+01 volume  0.27907E-02 ppm1      0.652 ppm2      4.910 CV     1
 ASSI { 1109}
   (( segid " 1SG" and resid 3    and name HB1 ))
   (( segid " 1SG" and resid 3    and name HA  ))
      2.600     0.800     0.800 peak  1109 spectrum    1 weight  0.10000E+01 volume  0.27825E-02 ppm1      2.293 ppm2      4.452 CV     1
 OR { 1109}
   (( segid " 1SG" and resid 3    and name HB2 ))
   (( segid " 1SG" and resid 3    and name HA  ))
 ASSI { 1115}
   (( segid " 1SG" and resid 52   and name HD1 ))
   (( segid " 1SG" and resid 52   and name HA  ))
      2.600     0.900     0.900 peak  1115 spectrum    1 weight  0.10000E+01 volume  0.27763E-02 ppm1      1.579 ppm2      4.625 CV     1
 OR { 1115}
   (( segid " 1SG" and resid 52   and name HD2 ))
   (( segid " 1SG" and resid 52   and name HA  ))
 ASSI { 1118}
   (( segid " 1SG" and resid 43   and name HD1 ))
   (  segid " 1SG" and resid 47   and name HG1%)
      2.700     0.900     0.900 peak  1118 spectrum    1 weight  0.10000E+01 volume  0.27585E-02 ppm1      1.324 ppm2      0.983 CV     1
 OR { 1118}
   (( segid " 1SG" and resid 43   and name HD2 ))
   (  segid " 1SG" and resid 47   and name HG1%)
 ASSI { 1127}
   (( segid " 1SG" and resid 107  and name HA  ))
   (( segid " 1SG" and resid 107  and name HB2 ))
      2.600     0.800     0.800 peak  1127 spectrum    1 weight  0.10000E+01 volume  0.27281E-02 ppm1      4.805 ppm2      3.085 CV     1
 OR { 1127}
   (( segid " 1SG" and resid 107  and name HA  ))
   (( segid " 1SG" and resid 107  and name HB1 ))
 ASSI { 1129}
   (( segid " 1SG" and resid 96   and name HA  ))
   (( segid " 1SG" and resid 96   and name HG1 ))
      2.500     0.800     0.800 peak  1129 spectrum    1 weight  0.10000E+01 volume  0.27215E-02 ppm1      4.790 ppm2      1.336 CV     1
 OR { 1129}
   (( segid " 1SG" and resid 96   and name HA  ))
   (( segid " 1SG" and resid 96   and name HG2 ))
 ASSI { 1131}
   (( segid " 1SG" and resid 1    and name HA  ))
   (( segid " 1SG" and resid 97   and name HB2 ))
      2.700     2.700     3.300 peak  1131 spectrum    1 weight  0.10000E+01 volume  0.27212E-02 ppm1      4.623 ppm2      2.692 CV     1
 ASSI { 1135}
   (  segid " 1SG" and resid 59   and name HD2%)
   (( segid " 1SG" and resid 74   and name HA  ))
      3.000     1.100     1.100 peak  1135 spectrum    1 weight  0.10000E+01 volume  0.27085E-02 ppm1      0.717 ppm2      4.346 CV     1
 ASSI { 1151}
   (( segid " 1SG" and resid 18   and name HA  ))
   (  segid " 1SG" and resid 18   and name HG1%)
      2.600     0.800     0.800 peak  1151 spectrum    1 weight  0.10000E+01 volume  0.26679E-02 ppm1      3.513 ppm2      1.007 CV     1
 ASSI { 1152}
   (  segid " 1SG" and resid 69   and name HG1%)
   (( segid " 1SG" and resid 27   and name HD1 ))
      2.700     0.900     0.900 peak  1152 spectrum    1 weight  0.10000E+01 volume  0.26678E-02 ppm1      0.852 ppm2      3.126 CV     1
 OR { 1152}
   (  segid " 1SG" and resid 69   and name HG1%)
   (( segid " 1SG" and resid 27   and name HD2 ))
 ASSI { 1154}
   (( segid " 1SG" and resid 15   and name HA  ))
   (( segid " 1SG" and resid 15   and name HB1 ))
      2.600     0.800     0.800 peak  1154 spectrum    1 weight  0.10000E+01 volume  0.26667E-02 ppm1      5.494 ppm2      2.015 CV     1
 OR { 1154}
   (( segid " 1SG" and resid 15   and name HA  ))
   (( segid " 1SG" and resid 15   and name HB2 ))
 ASSI { 1156}
   (  segid " 1SG" and resid 59   and name HD2%)
   (( segid " 1SG" and resid 59   and name HB1 ))
      2.700     0.900     0.900 peak  1156 spectrum    1 weight  0.10000E+01 volume  0.26611E-02 ppm1      0.714 ppm2      1.697 CV     1
 OR { 1156}
   (  segid " 1SG" and resid 59   and name HD2%)
   (( segid " 1SG" and resid 59   and name HB2 ))
 ASSI { 1161}
   (( segid " 1SG" and resid 59   and name HB1 ))
   (  segid " 1SG" and resid 59   and name HD1%)
      2.500     0.800     0.800 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.26375E-02 ppm1      1.712 ppm2      0.868 CV     1
 OR { 1161}
   (( segid " 1SG" and resid 59   and name HB2 ))
   (  segid " 1SG" and resid 59   and name HD1%)
 ASSI { 1176}
   (  segid " 1SG" and resid 4    and name HG2%)
   (  segid " 1SG" and resid 6    and name HD2%)
      2.900     1.100     1.100 peak  1176 spectrum    1 weight  0.10000E+01 volume  0.25835E-02 ppm1      0.914 ppm2      0.491 CV     1
 ASSI { 1183}
   (( segid " 1SG" and resid 45   and name HA  ))
   (( segid " 1SG" and resid 45   and name HG2 ))
      2.600     0.900     0.900 peak  1183 spectrum    1 weight  0.10000E+01 volume  0.25655E-02 ppm1      3.497 ppm2      0.609 CV     1
 OR { 1183}
   (( segid " 1SG" and resid 45   and name HA  ))
   (( segid " 1SG" and resid 45   and name HB2 ))
 ASSI { 1189}
   (( segid " 1SG" and resid 94   and name HA  ))
   (( segid " 1SG" and resid 94   and name HB2 ))
      2.700     0.900     0.900 peak  1189 spectrum    1 weight  0.10000E+01 volume  0.25561E-02 ppm1      4.042 ppm2      1.799 CV     1
 ASSI { 1190}
   (( segid " 1SG" and resid 2    and name HB2 ))
   (( segid " 1SG" and resid 1    and name HA  ))
      3.000     1.100     1.100 peak  1190 spectrum    1 weight  0.10000E+01 volume  0.25549E-02 ppm1      2.684 ppm2      4.619 CV     1
 ASSI { 1191}
   (  segid " 1SG" and resid 76   and name HD1%)
   (( segid " 1SG" and resid 59   and name HG  ))
      2.300     2.300     3.700 peak  1191 spectrum    1 weight  0.10000E+01 volume  0.25520E-02 ppm1      0.677 ppm2      1.411 CV     1
 ASSI { 1193}
   (( segid " 1SG" and resid 43   and name HE2 ))
   (( segid " 1SG" and resid 43   and name HD1 ))
      2.500     0.800     0.800 peak  1193 spectrum    1 weight  0.10000E+01 volume  0.25481E-02 ppm1      2.518 ppm2      1.326 CV     1
 OR { 1193}
   (( segid " 1SG" and resid 43   and name HE2 ))
   (( segid " 1SG" and resid 43   and name HD2 ))
 ASSI { 1202}
   (( segid " 1SG" and resid 2    and name HB2 ))
   (( segid " 1SG" and resid 96   and name HE1 ))
      2.900     2.900     3.100 peak  1202 spectrum    1 weight  0.10000E+01 volume  0.24919E-02 ppm1      2.692 ppm2      2.944 CV     1
 OR { 1202}
   (( segid " 1SG" and resid 2    and name HB2 ))
   (( segid " 1SG" and resid 96   and name HE2 ))
 ASSI { 1203}
   (( segid " 1SG" and resid 81   and name HA  ))
   (( segid " 1SG" and resid 106  and name HB  ))
      3.100     1.200     1.200 peak  1203 spectrum    1 weight  0.10000E+01 volume  0.24913E-02 ppm1      4.003 ppm2      1.861 CV     1
 ASSI { 1205}
   (  segid " 1SG" and resid 28   and name HG2%)
   (( segid " 1SG" and resid 28   and name HB  ))
      2.600     0.800     0.800 peak  1205 spectrum    1 weight  0.10000E+01 volume  0.24861E-02 ppm1      0.652 ppm2      1.978 CV     1
 ASSI { 1215}
   (( segid " 1SG" and resid 25   and name HB2 ))
   (  segid " 1SG" and resid 71   and name HD1%)
      2.800     0.900     0.900 peak  1215 spectrum    1 weight  0.10000E+01 volume  0.24480E-02 ppm1      3.603 ppm2      0.862 CV     1
 ASSI { 1219}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 22   and name HB  ))
      2.500     0.800     0.800 peak  1219 spectrum    1 weight  0.10000E+01 volume  0.24384E-02 ppm1      0.612 ppm2      1.535 CV     1
 ASSI { 1220}
   (  segid " 1SG" and resid 28   and name HG1%)
   (( segid " 1SG" and resid 28   and name HB  ))
      2.600     0.800     0.800 peak  1220 spectrum    1 weight  0.10000E+01 volume  0.24305E-02 ppm1      0.816 ppm2      1.976 CV     1
 ASSI { 1223}
   (( segid " 1SG" and resid 53   and name HB  ))
   (( segid " 1SG" and resid 53   and name HA  ))
      2.600     0.800     0.800 peak  1223 spectrum    1 weight  0.10000E+01 volume  0.24203E-02 ppm1      2.132 ppm2      4.051 CV     1
 ASSI { 1236}
   (( segid " 1SG" and resid 59   and name HA  ))
   (( segid " 1SG" and resid 59   and name HB2 ))
      2.500     0.800     0.800 peak  1236 spectrum    1 weight  0.10000E+01 volume  0.23892E-02 ppm1      5.198 ppm2      1.702 CV     1
 OR { 1236}
   (( segid " 1SG" and resid 59   and name HA  ))
   (( segid " 1SG" and resid 59   and name HB1 ))
 ASSI { 1239}
   (( segid " 1SG" and resid 64   and name HA  ))
   (( segid " 1SG" and resid 64   and name HB2 ))
      2.600     0.900     0.900 peak  1239 spectrum    1 weight  0.10000E+01 volume  0.23849E-02 ppm1      4.580 ppm2      2.354 CV     1
 ASSI { 1242}
   (( segid " 1SG" and resid 43   and name HD2 ))
   (( segid " 1SG" and resid 57   and name HG  ))
      2.500     0.800     0.800 peak  1242 spectrum    1 weight  0.10000E+01 volume  0.23790E-02 ppm1      1.333 ppm2      0.743 CV     1
 OR { 1242}
   (( segid " 1SG" and resid 43   and name HD1 ))
   (( segid " 1SG" and resid 57   and name HG  ))
 ASSI { 1243}
   (( segid " 1SG" and resid 22   and name HG12))
   (  segid " 1SG" and resid 22   and name HD1%)
      2.500     0.800     0.800 peak  1243 spectrum    1 weight  0.10000E+01 volume  0.23752E-02 ppm1      0.102 ppm2      0.551 CV     1
 ASSI { 1244}
   (( segid " 1SG" and resid 52   and name HE2 ))
   (( segid " 1SG" and resid 52   and name HD2 ))
      2.600     0.800     0.800 peak  1244 spectrum    1 weight  0.10000E+01 volume  0.23725E-02 ppm1      2.788 ppm2      1.574 CV     1
 OR { 1244}
   (( segid " 1SG" and resid 52   and name HE2 ))
   (( segid " 1SG" and resid 52   and name HD1 ))
 ASSI { 1246}
   (  segid " 1SG" and resid 104  and name HD1%)
   (( segid " 1SG" and resid 104  and name HB2 ))
      2.400     0.700     0.700 peak  1246 spectrum    1 weight  0.10000E+01 volume  0.23688E-02 ppm1      0.976 ppm2      1.219 CV     1
 ASSI { 1251}
   (( segid " 1SG" and resid 80   and name HA  ))
   (( segid " 1SG" and resid 81   and name HD2 ))
      2.600     0.800     0.800 peak  1251 spectrum    1 weight  0.10000E+01 volume  0.23551E-02 ppm1      4.639 ppm2      3.592 CV     1
 ASSI { 1254}
   (( segid " 1SG" and resid 57   and name HA  ))
   (( segid " 1SG" and resid 76   and name HA  ))
      2.300     0.700     0.700 peak  1254 spectrum    1 weight  0.10000E+01 volume  0.23490E-02 ppm1      5.425 ppm2      5.012 CV     1
 ASSI { 1259}
   (( segid " 1SG" and resid 22   and name HA  ))
   (( segid " 1SG" and resid 22   and name HB  ))
      2.400     0.700     0.700 peak  1259 spectrum    1 weight  0.10000E+01 volume  0.23416E-02 ppm1      4.352 ppm2      1.534 CV     1
 ASSI { 1267}
   (( segid " 1SG" and resid 59   and name HG  ))
   (( segid " 1SG" and resid 57   and name HG  ))
      3.100     3.100     2.900 peak  1267 spectrum    1 weight  0.10000E+01 volume  0.23183E-02 ppm1      1.460 ppm2      0.749 CV     1
 ASSI { 1272}
   (( segid " 1SG" and resid 58   and name HA  ))
   (( segid " 1SG" and resid 58   and name HB1 ))
      2.600     0.800     0.800 peak  1272 spectrum    1 weight  0.10000E+01 volume  0.23053E-02 ppm1      4.626 ppm2      2.405 CV     1
 OR { 1272}
   (( segid " 1SG" and resid 58   and name HA  ))
   (( segid " 1SG" and resid 58   and name HB2 ))
 ASSI { 1274}
   (( segid " 1SG" and resid 65   and name HA  ))
   (( segid " 1SG" and resid 65   and name HG1 ))
      2.700     0.900     0.900 peak  1274 spectrum    1 weight  0.10000E+01 volume  0.22957E-02 ppm1      3.458 ppm2      1.692 CV     1
 OR { 1274}
   (( segid " 1SG" and resid 65   and name HA  ))
   (( segid " 1SG" and resid 65   and name HG2 ))
 ASSI { 1281}
   (( segid " 1SG" and resid 49   and name HG  ))
   (( segid " 1SG" and resid 43   and name HD2 ))
      2.600     0.800     0.800 peak  1281 spectrum    1 weight  0.10000E+01 volume  0.22835E-02 ppm1      0.802 ppm2      1.337 CV     1
 OR { 1281}
   (( segid " 1SG" and resid 49   and name HG  ))
   (( segid " 1SG" and resid 43   and name HD1 ))
 ASSI { 1282}
   (( segid " 1SG" and resid 78   and name HA  ))
   (( segid " 1SG" and resid 78   and name HB2 ))
      2.600     0.800     0.800 peak  1282 spectrum    1 weight  0.10000E+01 volume  0.22813E-02 ppm1      4.117 ppm2      2.383 CV     1
 ASSI { 1285}
   (  segid " 1SG" and resid 8    and name HG1%)
   (( segid " 1SG" and resid 29   and name HA  ))
      2.800     1.000     1.000 peak  1285 spectrum    1 weight  0.10000E+01 volume  0.22765E-02 ppm1      0.964 ppm2      4.391 CV     1
 OR { 1285}
   (  segid " 1SG" and resid 8    and name HG2%)
   (( segid " 1SG" and resid 29   and name HA  ))
 ASSI { 1286}
   (  segid " 1SG" and resid 8    and name HG2%)
   (  segid " 1SG" and resid 6    and name HD2%)
      3.000     3.000     3.000 peak  1286 spectrum    1 weight  0.10000E+01 volume  0.22759E-02 ppm1      0.928 ppm2      0.476 CV     1
 ASSI { 1288}
   (( segid " 1SG" and resid 96   and name HA  ))
   (( segid " 1SG" and resid 94   and name HE1 ))
      2.900     1.000     1.000 peak  1288 spectrum    1 weight  0.10000E+01 volume  0.22612E-02 ppm1      4.809 ppm2      3.001 CV     1
 OR { 1288}
   (( segid " 1SG" and resid 96   and name HA  ))
   (( segid " 1SG" and resid 94   and name HE2 ))
 ASSI { 1295}
   (  segid " 1SG" and resid 76   and name HG2%)
   (  segid " 1SG" and resid 79   and name HB% )
      2.800     1.000     1.000 peak  1295 spectrum    1 weight  0.10000E+01 volume  0.22498E-02 ppm1      0.828 ppm2      1.193 CV     1
 ASSI { 1297}
   (( segid " 1SG" and resid 52   and name HE2 ))
   (( segid " 1SG" and resid 52   and name HG2 ))
      2.900     1.000     1.000 peak  1297 spectrum    1 weight  0.10000E+01 volume  0.22466E-02 ppm1      2.788 ppm2      1.344 CV     1
 OR { 1297}
   (( segid " 1SG" and resid 52   and name HE2 ))
   (( segid " 1SG" and resid 52   and name HG1 ))
 ASSI { 1298}
   (( segid " 1SG" and resid 49   and name HG  ))
   (( segid " 1SG" and resid 43   and name HB2 ))
      2.400     0.700     0.700 peak  1298 spectrum    1 weight  0.10000E+01 volume  0.22444E-02 ppm1      0.801 ppm2      1.228 CV     1
 ASSI { 1302}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 22   and name HG12))
      2.500     0.800     0.800 peak  1302 spectrum    1 weight  0.10000E+01 volume  0.22366E-02 ppm1      0.611 ppm2      0.097 CV     1
 ASSI { 1303}
   (( segid " 1SG" and resid 94   and name HG2 ))
   (( segid " 1SG" and resid 94   and name HA  ))
      3.100     1.200     1.200 peak  1303 spectrum    1 weight  0.10000E+01 volume  0.22363E-02 ppm1      1.416 ppm2      4.044 CV     1
 OR { 1303}
   (( segid " 1SG" and resid 94   and name HG1 ))
   (( segid " 1SG" and resid 94   and name HA  ))
 ASSI { 1309}
   (( segid " 1SG" and resid 96   and name HA  ))
   (( segid " 1SG" and resid 96   and name HB2 ))
      2.700     0.900     0.900 peak  1309 spectrum    1 weight  0.10000E+01 volume  0.22297E-02 ppm1      4.786 ppm2      1.579 CV     1
 ASSI { 1319}
   (  segid " 1SG" and resid 76   and name HG2%)
   (( segid " 1SG" and resid 76   and name HA  ))
      2.500     0.800     0.800 peak  1319 spectrum    1 weight  0.10000E+01 volume  0.22093E-02 ppm1      0.823 ppm2      5.012 CV     1
 ASSI { 1333}
   (( segid " 1SG" and resid 3    and name HA  ))
   (( segid " 1SG" and resid 4    and name HB  ))
      3.300     1.400     1.400 peak  1333 spectrum    1 weight  0.10000E+01 volume  0.21754E-02 ppm1      4.450 ppm2      2.008 CV     1
 ASSI { 1335}
   (( segid " 1SG" and resid 27   and name HA  ))
   (( segid " 1SG" and resid 27   and name HB1 ))
      2.500     0.800     0.800 peak  1335 spectrum    1 weight  0.10000E+01 volume  0.21664E-02 ppm1      5.836 ppm2      1.599 CV     1
 OR { 1335}
   (( segid " 1SG" and resid 27   and name HA  ))
   (( segid " 1SG" and resid 27   and name HB2 ))
 ASSI { 1338}
   (( segid " 1SG" and resid 19   and name HA2 ))
   (( segid " 1SG" and resid 78   and name HA  ))
      2.800     0.900     0.900 peak  1338 spectrum    1 weight  0.10000E+01 volume  0.21604E-02 ppm1      4.274 ppm2      4.121 CV     1
 OR { 1338}
   (( segid " 1SG" and resid 19   and name HA1 ))
   (( segid " 1SG" and resid 78   and name HA  ))
 ASSI { 1343}
   (( segid " 1SG" and resid 35   and name HB1 ))
   (( segid " 1SG" and resid 35   and name HA  ))
      2.600     0.900     0.900 peak  1343 spectrum    1 weight  0.10000E+01 volume  0.21541E-02 ppm1      1.791 ppm2      4.667 CV     1
 OR { 1343}
   (( segid " 1SG" and resid 35   and name HB2 ))
   (( segid " 1SG" and resid 35   and name HA  ))
 ASSI { 1346}
   (  segid " 1SG" and resid 69   and name HG2%)
   (( segid " 1SG" and resid 67   and name HB2 ))
      2.700     0.900     0.900 peak  1346 spectrum    1 weight  0.10000E+01 volume  0.21484E-02 ppm1      0.868 ppm2      3.737 CV     1
 OR { 1346}
   (  segid " 1SG" and resid 69   and name HG2%)
   (( segid " 1SG" and resid 67   and name HB1 ))
 ASSI { 1351}
   (( segid " 1SG" and resid 59   and name HB2 ))
   (( segid " 1SG" and resid 59   and name HG  ))
      2.500     0.800     0.800 peak  1351 spectrum    1 weight  0.10000E+01 volume  0.21371E-02 ppm1      1.699 ppm2      1.439 CV     1
 OR { 1351}
   (( segid " 1SG" and resid 59   and name HB1 ))
   (( segid " 1SG" and resid 59   and name HG  ))
 ASSI { 1353}
   (  segid " 1SG" and resid 104  and name HD2%)
   (( segid " 1SG" and resid 104  and name HB2 ))
      2.900     1.100     1.100 peak  1353 spectrum    1 weight  0.10000E+01 volume  0.21359E-02 ppm1      0.836 ppm2      1.210 CV     1
 ASSI { 1356}
   (  segid " 1SG" and resid 91   and name HG2%)
   (  segid " 1SG" and resid 39   and name HG1%)
      2.900     1.000     1.000 peak  1356 spectrum    1 weight  0.10000E+01 volume  0.21215E-02 ppm1      0.170 ppm2     -0.067 CV     1
 OR { 1356}
   (  segid " 1SG" and resid 91   and name HG1%)
   (  segid " 1SG" and resid 39   and name HG1%)
 ASSI { 1365}
   (( segid " 1SG" and resid 34   and name HG  ))
   (( segid " 1SG" and resid 35   and name HG1 ))
      2.700     0.900     0.900 peak  1365 spectrum    1 weight  0.10000E+01 volume  0.21078E-02 ppm1      0.938 ppm2      1.372 CV     1
 OR { 1365}
   (( segid " 1SG" and resid 34   and name HG  ))
   (( segid " 1SG" and resid 35   and name HG2 ))
 ASSI { 1367}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 22   and name HB  ))
      2.600     0.800     0.800 peak  1367 spectrum    1 weight  0.10000E+01 volume  0.21033E-02 ppm1      0.558 ppm2      1.537 CV     1
 OR { 1367}
   (  segid " 1SG" and resid 22   and name HD1%)
   (( segid " 1SG" and resid 22   and name HB  ))
 ASSI { 1368}
   (  segid " 1SG" and resid 106  and name HG2%)
   (( segid " 1SG" and resid 81   and name HA  ))
      2.600     0.800     0.800 peak  1368 spectrum    1 weight  0.10000E+01 volume  0.21027E-02 ppm1      0.389 ppm2      4.015 CV     1
 ASSI { 1375}
   (  segid " 1SG" and resid 4    and name HG2%)
   (  segid " 1SG" and resid 6    and name HD1%)
      2.700     0.900     0.900 peak  1375 spectrum    1 weight  0.10000E+01 volume  0.20805E-02 ppm1      0.911 ppm2      0.677 CV     1
 ASSI { 1378}
   (( segid " 1SG" and resid 68   and name HG2 ))
   (( segid " 1SG" and resid 68   and name HA  ))
      2.800     1.000     1.000 peak  1378 spectrum    1 weight  0.10000E+01 volume  0.20788E-02 ppm1      1.279 ppm2      3.604 CV     1
 OR { 1378}
   (( segid " 1SG" and resid 68   and name HG1 ))
   (( segid " 1SG" and resid 68   and name HA  ))
 ASSI { 1382}
   (  segid " 1SG" and resid 49   and name HD2%)
   (  segid " 1SG" and resid 49   and name HD1%)
      2.600     0.900     0.900 peak  1382 spectrum    1 weight  0.10000E+01 volume  0.20725E-02 ppm1      1.033 ppm2      1.768 CV     1
 ASSI { 1390}
   (( segid " 1SG" and resid 45   and name HE2 ))
   (( segid " 1SG" and resid 45   and name HD2 ))
      2.700     0.900     0.900 peak  1390 spectrum    1 weight  0.10000E+01 volume  0.20566E-02 ppm1      2.582 ppm2      1.239 CV     1
 OR { 1390}
   (( segid " 1SG" and resid 45   and name HE2 ))
   (( segid " 1SG" and resid 45   and name HD1 ))
 ASSI { 1393}
   (  segid " 1SG" and resid 6    and name HD1%)
   (  segid " 1SG" and resid 91   and name HG1%)
      3.000     1.100     1.100 peak  1393 spectrum    1 weight  0.10000E+01 volume  0.20481E-02 ppm1      0.673 ppm2      0.183 CV     1
 OR { 1393}
   (  segid " 1SG" and resid 6    and name HD1%)
   (  segid " 1SG" and resid 91   and name HG2%)
 ASSI { 1397}
   (( segid " 1SG" and resid 22   and name HB  ))
   (  segid " 1SG" and resid 22   and name HD1%)
      2.700     0.900     0.900 peak  1397 spectrum    1 weight  0.10000E+01 volume  0.20401E-02 ppm1      1.541 ppm2      0.551 CV     1
 ASSI { 1399}
   (( segid " 1SG" and resid 31   and name HA  ))
   (( segid " 1SG" and resid 68   and name HD2 ))
      2.700     0.900     0.900 peak  1399 spectrum    1 weight  0.10000E+01 volume  0.20360E-02 ppm1      4.175 ppm2      1.683 CV     1
 OR { 1399}
   (( segid " 1SG" and resid 31   and name HA  ))
   (( segid " 1SG" and resid 68   and name HD1 ))
 ASSI { 1400}
   (( segid " 1SG" and resid 91   and name HA  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      2.700     0.900     0.900 peak  1400 spectrum    1 weight  0.10000E+01 volume  0.20339E-02 ppm1      4.748 ppm2      0.161 CV     1
 ASSI { 1402}
   (( segid " 1SG" and resid 68   and name HG2 ))
   (( segid " 1SG" and resid 68   and name HB2 ))
      2.700     0.900     0.900 peak  1402 spectrum    1 weight  0.10000E+01 volume  0.20300E-02 ppm1      1.273 ppm2      1.772 CV     1
 OR { 1402}
   (( segid " 1SG" and resid 68   and name HG1 ))
   (( segid " 1SG" and resid 68   and name HB2 ))
 ASSI { 1404}
   (( segid " 1SG" and resid 37   and name HA  ))
   (( segid " 1SG" and resid 37   and name HB2 ))
      3.000     1.100     1.100 peak  1404 spectrum    1 weight  0.10000E+01 volume  0.20266E-02 ppm1      4.505 ppm2      1.382 CV     1
 OR { 1404}
   (( segid " 1SG" and resid 37   and name HA  ))
   (( segid " 1SG" and resid 37   and name HG2 ))
 ASSI { 1406}
   (  segid " 1SG" and resid 53   and name HG1%)
   (( segid " 1SG" and resid 58   and name HA  ))
      2.700     0.900     0.900 peak  1406 spectrum    1 weight  0.10000E+01 volume  0.20217E-02 ppm1      1.121 ppm2      4.624 CV     1
 ASSI { 1408}
   (( segid " 1SG" and resid 28   and name HA  ))
   (  segid " 1SG" and resid 28   and name HG1%)
      2.700     0.900     0.900 peak  1408 spectrum    1 weight  0.10000E+01 volume  0.20170E-02 ppm1      4.915 ppm2      0.817 CV     1
 ASSI { 1412}
   (  segid " 1SG" and resid 74   and name HD2%)
   (( segid " 1SG" and resid 59   and name HG  ))
      2.600     0.800     0.800 peak  1412 spectrum    1 weight  0.10000E+01 volume  0.20092E-02 ppm1      0.409 ppm2      1.447 CV     1
 OR { 1412}
   (  segid " 1SG" and resid 74   and name HD1%)
   (( segid " 1SG" and resid 59   and name HG  ))
 ASSI { 1420}
   (( segid " 1SG" and resid 75   and name HA  ))
   (( segid " 1SG" and resid 75   and name HB1 ))
      2.700     0.900     0.900 peak  1420 spectrum    1 weight  0.10000E+01 volume  0.19895E-02 ppm1      5.087 ppm2      2.897 CV     1
 OR { 1420}
   (( segid " 1SG" and resid 75   and name HA  ))
   (( segid " 1SG" and resid 75   and name HB2 ))
 ASSI { 1421}
   (( segid " 1SG" and resid 45   and name HD1 ))
   (  segid " 1SG" and resid 104  and name HD2%)
      2.900     2.900     3.100 peak  1421 spectrum    1 weight  0.10000E+01 volume  0.19880E-02 ppm1      1.234 ppm2      0.834 CV     1
 OR { 1421}
   (( segid " 1SG" and resid 45   and name HD2 ))
   (  segid " 1SG" and resid 104  and name HD2%)
 ASSI { 1426}
   (( segid " 1SG" and resid 2    and name HA  ))
   (( segid " 1SG" and resid 2    and name HB2 ))
      2.700     0.900     0.900 peak  1426 spectrum    1 weight  0.10000E+01 volume  0.19822E-02 ppm1      4.912 ppm2      2.661 CV     1
 ASSI { 1428}
   (( segid " 1SG" and resid 33   and name HG  ))
   (( segid " 1SG" and resid 37   and name HG2 ))
      3.200     3.200     2.800 peak  1428 spectrum    1 weight  0.10000E+01 volume  0.19812E-02 ppm1      0.929 ppm2      1.379 CV     1
 OR { 1428}
   (( segid " 1SG" and resid 33   and name HG  ))
   (( segid " 1SG" and resid 37   and name HB2 ))
 ASSI { 1433}
   (( segid " 1SG" and resid 105  and name HB  ))
   (( segid " 1SG" and resid 15   and name HA  ))
      2.600     0.900     0.900 peak  1433 spectrum    1 weight  0.10000E+01 volume  0.19770E-02 ppm1      3.901 ppm2      5.501 CV     1
 ASSI { 1435}
   (( segid " 1SG" and resid 12   and name HA  ))
   (( segid " 1SG" and resid 12   and name HG2 ))
      3.000     1.100     1.100 peak  1435 spectrum    1 weight  0.10000E+01 volume  0.19752E-02 ppm1      4.685 ppm2      2.479 CV     1
 OR { 1435}
   (( segid " 1SG" and resid 12   and name HA  ))
   (( segid " 1SG" and resid 12   and name HG1 ))
 ASSI { 1437}
   (( segid " 1SG" and resid 61   and name HA  ))
   (( segid " 1SG" and resid 61   and name HB2 ))
      2.800     1.000     1.000 peak  1437 spectrum    1 weight  0.10000E+01 volume  0.19739E-02 ppm1      5.569 ppm2      2.306 CV     1
 ASSI { 1443}
   (( segid " 1SG" and resid 22   and name HA  ))
   (( segid " 1SG" and resid 104  and name HB2 ))
      3.400     3.400     2.600 peak  1443 spectrum    1 weight  0.10000E+01 volume  0.19622E-02 ppm1      4.357 ppm2      1.253 CV     1
 ASSI { 1453}
   (( segid " 1SG" and resid 4    and name HA  ))
   (  segid " 1SG" and resid 4    and name HD1%)
      3.300     1.300     1.300 peak  1453 spectrum    1 weight  0.10000E+01 volume  0.19483E-02 ppm1      4.030 ppm2      0.969 CV     1
 ASSI { 1456}
   (( segid " 1SG" and resid 9    and name HA  ))
   (( segid " 1SG" and resid 27   and name HD2 ))
      3.200     1.300     1.300 peak  1456 spectrum    1 weight  0.10000E+01 volume  0.19411E-02 ppm1      4.631 ppm2      3.112 CV     1
 OR { 1456}
   (( segid " 1SG" and resid 9    and name HA  ))
   (( segid " 1SG" and resid 27   and name HD1 ))
 ASSI { 1457}
   (( segid " 1SG" and resid 57   and name HG  ))
   (  segid " 1SG" and resid 49   and name HD2%)
      2.700     0.900     0.900 peak  1457 spectrum    1 weight  0.10000E+01 volume  0.19409E-02 ppm1      0.752 ppm2      1.025 CV     1
 ASSI { 1461}
   (( segid " 1SG" and resid 12   and name HB2 ))
   (( segid " 1SG" and resid 12   and name HA  ))
      3.000     1.100     1.100 peak  1461 spectrum    1 weight  0.10000E+01 volume  0.19301E-02 ppm1      1.970 ppm2      4.684 CV     1
 ASSI { 1471}
   (  segid " 1SG" and resid 76   and name HG2%)
   (( segid " 1SG" and resid 76   and name HG12))
      2.600     0.800     0.800 peak  1471 spectrum    1 weight  0.10000E+01 volume  0.19194E-02 ppm1      0.820 ppm2      1.098 CV     1
 ASSI { 1479}
   (( segid " 1SG" and resid 53   and name HA  ))
   (  segid " 1SG" and resid 57   and name HD1%)
      2.600     0.800     0.800 peak  1479 spectrum    1 weight  0.10000E+01 volume  0.19054E-02 ppm1      4.059 ppm2      0.613 CV     1
 OR { 1479}
   (( segid " 1SG" and resid 53   and name HA  ))
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI { 1481}
   (( segid " 1SG" and resid 40   and name HA  ))
   (( segid " 1SG" and resid 40   and name HB2 ))
      2.700     0.900     0.900 peak  1481 spectrum    1 weight  0.10000E+01 volume  0.19048E-02 ppm1      4.549 ppm2      1.359 CV     1
 ASSI { 1483}
   (  segid " 1SG" and resid 59   and name HD1%)
   (  segid " 1SG" and resid 74   and name HD2%)
      3.300     1.400     1.400 peak  1483 spectrum    1 weight  0.10000E+01 volume  0.19027E-02 ppm1      0.863 ppm2      0.419 CV     1
 OR { 1483}
   (  segid " 1SG" and resid 59   and name HD1%)
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI { 1486}
   (( segid " 1SG" and resid 14   and name HA1 ))
   (  segid " 1SG" and resid 22   and name HD1%)
      2.600     0.800     0.800 peak  1486 spectrum    1 weight  0.10000E+01 volume  0.18990E-02 ppm1      3.757 ppm2      0.548 CV     1
 ASSI { 1493}
   (( segid " 1SG" and resid 21   and name HA  ))
   (( segid " 1SG" and resid 21   and name HB2 ))
      2.600     0.900     0.900 peak  1493 spectrum    1 weight  0.10000E+01 volume  0.18816E-02 ppm1      5.515 ppm2      3.764 CV     1
 ASSI { 1494}
   (( segid " 1SG" and resid 74   and name HB2 ))
   (  segid " 1SG" and resid 74   and name HD1%)
      2.900     1.000     1.000 peak  1494 spectrum    1 weight  0.10000E+01 volume  0.18812E-02 ppm1     -0.825 ppm2      0.419 CV     1
 OR { 1494}
   (( segid " 1SG" and resid 74   and name HB2 ))
   (  segid " 1SG" and resid 74   and name HD2%)
 ASSI { 1497}
   (( segid " 1SG" and resid 71   and name HB2 ))
   (  segid " 1SG" and resid 71   and name HD2%)
      2.700     0.900     0.900 peak  1497 spectrum    1 weight  0.10000E+01 volume  0.18780E-02 ppm1      1.272 ppm2      0.752 CV     1
 ASSI { 1504}
   (( segid " 1SG" and resid 105  and name HB  ))
   (( segid " 1SG" and resid 15   and name HG1 ))
      2.800     0.900     0.900 peak  1504 spectrum    1 weight  0.10000E+01 volume  0.18689E-02 ppm1      3.909 ppm2      2.266 CV     1
 OR { 1504}
   (( segid " 1SG" and resid 105  and name HB  ))
   (( segid " 1SG" and resid 15   and name HG2 ))
 ASSI { 1508}
   (( segid " 1SG" and resid 76   and name HB  ))
   (  segid " 1SG" and resid 76   and name HD1%)
      2.700     0.900     0.900 peak  1508 spectrum    1 weight  0.10000E+01 volume  0.18588E-02 ppm1      1.941 ppm2      0.670 CV     1
 ASSI { 1515}
   (( segid " 1SG" and resid 18   and name HA  ))
   (( segid " 1SG" and resid 18   and name HB  ))
      2.700     0.900     0.900 peak  1515 spectrum    1 weight  0.10000E+01 volume  0.18502E-02 ppm1      3.515 ppm2      1.933 CV     1
 ASSI { 1516}
   (( segid " 1SG" and resid 36   and name HB2 ))
   (( segid " 1SG" and resid 36   and name HG2 ))
      2.600     0.800     0.800 peak  1516 spectrum    1 weight  0.10000E+01 volume  0.18482E-02 ppm1      1.634 ppm2      1.985 CV     1
 ASSI { 1518}
   (( segid " 1SG" and resid 34   and name HA  ))
   (( segid " 1SG" and resid 94   and name HA  ))
      3.000     3.000     3.000 peak  1518 spectrum    1 weight  0.10000E+01 volume  0.18469E-02 ppm1      4.293 ppm2      4.063 CV     1
 ASSI { 1523}
   (( segid " 1SG" and resid 59   and name HG  ))
   (  segid " 1SG" and resid 57   and name HD2%)
      3.100     1.200     1.200 peak  1523 spectrum    1 weight  0.10000E+01 volume  0.18371E-02 ppm1      1.446 ppm2      0.612 CV     1
 OR { 1523}
   (( segid " 1SG" and resid 59   and name HG  ))
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI { 1527}
   (  segid " 1SG" and resid 6    and name HD1%)
   (  segid " 1SG" and resid 28   and name HG1%)
      2.900     1.000     1.000 peak  1527 spectrum    1 weight  0.10000E+01 volume  0.18295E-02 ppm1      0.670 ppm2      0.820 CV     1
 ASSI { 1529}
   (( segid " 1SG" and resid 25   and name HA  ))
   (( segid " 1SG" and resid 73   and name HA  ))
      2.600     0.800     0.800 peak  1529 spectrum    1 weight  0.10000E+01 volume  0.18282E-02 ppm1      5.692 ppm2      5.470 CV     1
 ASSI { 1539}
   (( segid " 1SG" and resid 106  and name HA  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      2.700     0.900     0.900 peak  1539 spectrum    1 weight  0.10000E+01 volume  0.18157E-02 ppm1      4.721 ppm2      0.624 CV     1
 ASSI { 1545}
   (( segid " 1SG" and resid 14   and name HA2 ))
   (  segid " 1SG" and resid 22   and name HD1%)
      3.600     1.600     1.600 peak  1545 spectrum    1 weight  0.10000E+01 volume  0.17967E-02 ppm1      4.934 ppm2      0.546 CV     1
 ASSI { 1547}
   (  segid " 1SG" and resid 18   and name HG2%)
   (( segid " 1SG" and resid 81   and name HD2 ))
      3.200     1.300     1.300 peak  1547 spectrum    1 weight  0.10000E+01 volume  0.17935E-02 ppm1      0.966 ppm2      3.590 CV     1
 ASSI { 1580}
   (( segid " 1SG" and resid 61   and name HB2 ))
   (( segid " 1SG" and resid 63   and name HB2 ))
      2.800     2.800     3.200 peak  1580 spectrum    1 weight  0.10000E+01 volume  0.17465E-02 ppm1      2.281 ppm2      2.543 CV     1
 ASSI { 1587}
   (  segid " 1SG" and resid 39   and name HG1%)
   (( segid " 1SG" and resid 39   and name HA  ))
      2.700     0.900     0.900 peak  1587 spectrum    1 weight  0.10000E+01 volume  0.17428E-02 ppm1     -0.057 ppm2      4.810 CV     1
 ASSI { 1589}
   (  segid " 1SG" and resid 6    and name HD2%)
   (  segid " 1SG" and resid 93   and name HG2%)
      2.900     1.100     1.100 peak  1589 spectrum    1 weight  0.10000E+01 volume  0.17423E-02 ppm1      0.491 ppm2      1.039 CV     1
 ASSI { 1598}
   (( segid " 1SG" and resid 53   and name HA  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      3.500     1.600     1.600 peak  1598 spectrum    1 weight  0.10000E+01 volume  0.17283E-02 ppm1      4.052 ppm2      1.467 CV     1
 ASSI { 1605}
   (( segid " 1SG" and resid 88   and name HB2 ))
   (( segid " 1SG" and resid 40   and name HD2 ))
      2.900     2.900     3.100 peak  1605 spectrum    1 weight  0.10000E+01 volume  0.17225E-02 ppm1      1.705 ppm2      1.711 CV     1
 OR { 1605}
   (( segid " 1SG" and resid 88   and name HB2 ))
   (( segid " 1SG" and resid 40   and name HD1 ))
 ASSI { 1613}
   (( segid " 1SG" and resid 6    and name HA  ))
   (( segid " 1SG" and resid 6    and name HG  ))
      2.800     1.000     1.000 peak  1613 spectrum    1 weight  0.10000E+01 volume  0.17104E-02 ppm1      4.455 ppm2      1.332 CV     1
 ASSI { 1616}
   (( segid " 1SG" and resid 108  and name HG2 ))
   (( segid " 1SG" and resid 108  and name HA  ))
      2.800     1.000     1.000 peak  1616 spectrum    1 weight  0.10000E+01 volume  0.17054E-02 ppm1      2.201 ppm2      4.149 CV     1
 OR { 1616}
   (( segid " 1SG" and resid 108  and name HG1 ))
   (( segid " 1SG" and resid 108  and name HA  ))
 ASSI { 1617}
   (( segid " 1SG" and resid 74   and name HB2 ))
   (  segid " 1SG" and resid 57   and name HD2%)
      3.700     1.700     1.700 peak  1617 spectrum    1 weight  0.10000E+01 volume  0.17050E-02 ppm1     -0.817 ppm2      0.626 CV     1
 OR { 1617}
   (( segid " 1SG" and resid 74   and name HB2 ))
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI { 1622}
   (( segid " 1SG" and resid 45   and name HG2 ))
   (( segid " 1SG" and resid 45   and name HA  ))
      2.700     0.900     0.900 peak  1622 spectrum    1 weight  0.10000E+01 volume  0.17019E-02 ppm1      0.599 ppm2      3.499 CV     1
 ASSI { 1624}
   (( segid " 1SG" and resid 68   and name HA  ))
   (( segid " 1SG" and resid 68   and name HB2 ))
      2.700     0.900     0.900 peak  1624 spectrum    1 weight  0.10000E+01 volume  0.17001E-02 ppm1      3.604 ppm2      1.772 CV     1
 ASSI { 1631}
   (( segid " 1SG" and resid 16   and name HB  ))
   (  segid " 1SG" and resid 22   and name HD1%)
      3.300     3.300     2.700 peak  1631 spectrum    1 weight  0.10000E+01 volume  0.16861E-02 ppm1      1.820 ppm2      0.552 CV     1
 ASSI { 1634}
   (  segid " 1SG" and resid 59   and name HD1%)
   (( segid " 1SG" and resid 43   and name HB2 ))
      3.200     3.200     2.800 peak  1634 spectrum    1 weight  0.10000E+01 volume  0.16779E-02 ppm1      0.832 ppm2      1.231 CV     1
 ASSI { 1636}
   (( segid " 1SG" and resid 8    and name HB  ))
   (( segid " 1SG" and resid 27   and name HB2 ))
      2.700     0.900     0.900 peak  1636 spectrum    1 weight  0.10000E+01 volume  0.16740E-02 ppm1      1.813 ppm2      1.600 CV     1
 OR { 1636}
   (( segid " 1SG" and resid 8    and name HB  ))
   (( segid " 1SG" and resid 27   and name HB1 ))
 ASSI { 1638}
   (( segid " 1SG" and resid 108  and name HA  ))
   (  segid " 1SG" and resid 18   and name HG1%)
      3.100     1.200     1.200 peak  1638 spectrum    1 weight  0.10000E+01 volume  0.16686E-02 ppm1      4.155 ppm2      1.005 CV     1
 ASSI { 1643}
   (( segid " 1SG" and resid 45   and name HB2 ))
   (( segid " 1SG" and resid 45   and name HA  ))
      2.900     1.100     1.100 peak  1643 spectrum    1 weight  0.10000E+01 volume  0.16642E-02 ppm1      0.604 ppm2      3.498 CV     1
 ASSI { 1653}
   (( segid " 1SG" and resid 4    and name HB  ))
   (( segid " 1SG" and resid 96   and name HB2 ))
      2.800     1.000     1.000 peak  1653 spectrum    1 weight  0.10000E+01 volume  0.16478E-02 ppm1      2.052 ppm2      1.589 CV     1
 ASSI { 1657}
   (( segid " 1SG" and resid 52   and name HD2 ))
   (( segid " 1SG" and resid 48   and name HB2 ))
      2.400     2.400     3.600 peak  1657 spectrum    1 weight  0.10000E+01 volume  0.16394E-02 ppm1      1.575 ppm2      2.922 CV     1
 OR { 1657}
   (( segid " 1SG" and resid 52   and name HD1 ))
   (( segid " 1SG" and resid 48   and name HB2 ))
 ASSI { 1660}
   (( segid " 1SG" and resid 76   and name HG12))
   (  segid " 1SG" and resid 57   and name HD2%)
      2.500     0.800     0.800 peak  1660 spectrum    1 weight  0.10000E+01 volume  0.16375E-02 ppm1      1.094 ppm2      0.621 CV     1
 OR { 1660}
   (( segid " 1SG" and resid 76   and name HG12))
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI { 1671}
   (( segid " 1SG" and resid 60   and name HB2 ))
   (( segid " 1SG" and resid 60   and name HA  ))
      2.900     1.100     1.100 peak  1671 spectrum    1 weight  0.10000E+01 volume  0.16240E-02 ppm1      2.975 ppm2      5.071 CV     1
 ASSI { 1672}
   (( segid " 1SG" and resid 43   and name HD2 ))
   (  segid " 1SG" and resid 49   and name HD1%)
      3.000     1.200     1.200 peak  1672 spectrum    1 weight  0.10000E+01 volume  0.16232E-02 ppm1      1.322 ppm2      1.761 CV     1
 OR { 1672}
   (( segid " 1SG" and resid 43   and name HD1 ))
   (  segid " 1SG" and resid 49   and name HD1%)
 ASSI { 1676}
   (( segid " 1SG" and resid 36   and name HA  ))
   (( segid " 1SG" and resid 37   and name HD2 ))
      2.900     1.000     1.000 peak  1676 spectrum    1 weight  0.10000E+01 volume  0.16190E-02 ppm1      4.005 ppm2      2.360 CV     1
 ASSI { 1689}
   (( segid " 1SG" and resid 16   and name HA  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      3.200     1.300     1.300 peak  1689 spectrum    1 weight  0.10000E+01 volume  0.16038E-02 ppm1      4.604 ppm2      0.629 CV     1
 ASSI { 1694}
   (( segid " 1SG" and resid 57   and name HB2 ))
   (  segid " 1SG" and resid 57   and name HD1%)
      3.100     1.200     1.200 peak  1694 spectrum    1 weight  0.10000E+01 volume  0.15950E-02 ppm1      1.477 ppm2      0.615 CV     1
 OR { 1694}
   (( segid " 1SG" and resid 57   and name HB2 ))
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI { 1700}
   (( segid " 1SG" and resid 35   and name HG1 ))
   (( segid " 1SG" and resid 35   and name HA  ))
      3.300     1.300     1.300 peak  1700 spectrum    1 weight  0.10000E+01 volume  0.15896E-02 ppm1      1.361 ppm2      4.667 CV     1
 OR { 1700}
   (( segid " 1SG" and resid 35   and name HG2 ))
   (( segid " 1SG" and resid 35   and name HA  ))
 ASSI { 1703}
   (( segid " 1SG" and resid 25   and name HB2 ))
   (( segid " 1SG" and resid 25   and name HA  ))
      3.100     1.200     1.200 peak  1703 spectrum    1 weight  0.10000E+01 volume  0.15889E-02 ppm1      3.602 ppm2      5.692 CV     1
 ASSI { 1707}
   (( segid " 1SG" and resid 105  and name HA  ))
   (( segid " 1SG" and resid 84   and name HA  ))
      2.900     1.000     1.000 peak  1707 spectrum    1 weight  0.10000E+01 volume  0.15861E-02 ppm1      4.518 ppm2      4.230 CV     1
 OR { 1707}
   (( segid " 1SG" and resid 105  and name HA  ))
   (( segid " 1SG" and resid 84   and name HB  ))
 ASSI { 1720}
   (( segid " 1SG" and resid 36   and name HA  ))
   (( segid " 1SG" and resid 36   and name HB2 ))
      3.100     1.200     1.200 peak  1720 spectrum    1 weight  0.10000E+01 volume  0.15740E-02 ppm1      4.007 ppm2      1.642 CV     1
 ASSI { 1726}
   (( segid " 1SG" and resid 88   and name HA  ))
   (( segid " 1SG" and resid 100  and name HB2 ))
      3.400     3.400     2.600 peak  1726 spectrum    1 weight  0.10000E+01 volume  0.15664E-02 ppm1      5.349 ppm2      2.953 CV     1
 ASSI { 1727}
   (  segid " 1SG" and resid 104  and name HD1%)
   (  segid " 1SG" and resid 24   and name HE% )
      2.500     2.500     3.500 peak  1727 spectrum    1 weight  0.10000E+01 volume  0.15645E-02 ppm1      0.987 ppm2      7.171 CV     1
 ASSI { 1748}
   (( segid " 1SG" and resid 23   and name HB  ))
   (( segid " 1SG" and resid 23   and name HA  ))
      2.900     1.100     1.100 peak  1748 spectrum    1 weight  0.10000E+01 volume  0.15402E-02 ppm1      3.583 ppm2      5.116 CV     1
 ASSI { 1760}
   (( segid " 1SG" and resid 49   and name HB2 ))
   (( segid " 1SG" and resid 52   and name HB2 ))
      3.300     3.300     2.700 peak  1760 spectrum    1 weight  0.10000E+01 volume  0.15203E-02 ppm1      1.571 ppm2      1.728 CV     1
 ASSI { 1764}
   (  segid " 1SG" and resid 76   and name HG2%)
   (( segid " 1SG" and resid 79   and name HA  ))
      2.800     2.800     3.200 peak  1764 spectrum    1 weight  0.10000E+01 volume  0.15154E-02 ppm1      0.825 ppm2      3.685 CV     1
 ASSI { 1771}
   (( segid " 1SG" and resid 36   and name HD2 ))
   (( segid " 1SG" and resid 36   and name HG2 ))
      2.600     0.900     0.900 peak  1771 spectrum    1 weight  0.10000E+01 volume  0.15105E-02 ppm1      3.510 ppm2      1.963 CV     1
 ASSI { 1789}
   (( segid " 1SG" and resid 9    and name HB2 ))
   (( segid " 1SG" and resid 9    and name HA  ))
      2.800     1.000     1.000 peak  1789 spectrum    1 weight  0.10000E+01 volume  0.14997E-02 ppm1      1.915 ppm2      4.655 CV     1
 ASSI { 1791}
   (( segid " 1SG" and resid 8    and name HB  ))
   (( segid " 1SG" and resid 8    and name HA  ))
      2.900     1.100     1.100 peak  1791 spectrum    1 weight  0.10000E+01 volume  0.14976E-02 ppm1      1.840 ppm2      4.168 CV     1
 ASSI { 1799}
   (  segid " 1SG" and resid 93   and name HG2%)
   (  segid " 1SG" and resid 91   and name HG2%)
      2.900     1.000     1.000 peak  1799 spectrum    1 weight  0.10000E+01 volume  0.14892E-02 ppm1      1.042 ppm2      0.183 CV     1
 OR { 1799}
   (  segid " 1SG" and resid 93   and name HG2%)
   (  segid " 1SG" and resid 91   and name HG1%)
 ASSI { 1800}
   (  segid " 1SG" and resid 18   and name HG2%)
   (( segid " 1SG" and resid 80   and name HE21))
      3.200     3.200     2.800 peak  1800 spectrum    1 weight  0.10000E+01 volume  0.14884E-02 ppm1      0.979 ppm2      6.971 CV     1
 ASSI { 1802}
   (( segid " 1SG" and resid 72   and name HB2 ))
   (( segid " 1SG" and resid 72   and name HA  ))
      2.900     1.100     1.100 peak  1802 spectrum    1 weight  0.10000E+01 volume  0.14849E-02 ppm1      2.934 ppm2      5.351 CV     1
 ASSI { 1809}
   (( segid " 1SG" and resid 24   and name HA  ))
   (( segid " 1SG" and resid 24   and name HB2 ))
      3.000     1.100     1.100 peak  1809 spectrum    1 weight  0.10000E+01 volume  0.14786E-02 ppm1      4.619 ppm2      2.415 CV     1
 ASSI { 1811}
   (  segid " 1SG" and resid 59   and name HD1%)
   (( segid " 1SG" and resid 50   and name HA  ))
      2.900     1.000     1.000 peak  1811 spectrum    1 weight  0.10000E+01 volume  0.14745E-02 ppm1      0.869 ppm2      3.945 CV     1
 ASSI { 1812}
   (( segid " 1SG" and resid 103  and name HB2 ))
   (( segid " 1SG" and resid 103  and name HA  ))
      3.000     1.200     1.200 peak  1812 spectrum    1 weight  0.10000E+01 volume  0.14745E-02 ppm1      2.506 ppm2      5.551 CV     1
 ASSI { 1815}
   (( segid " 1SG" and resid 105  and name HA  ))
   (( segid " 1SG" and resid 105  and name HB  ))
      2.900     1.000     1.000 peak  1815 spectrum    1 weight  0.10000E+01 volume  0.14728E-02 ppm1      4.515 ppm2      3.913 CV     1
 ASSI { 1831}
   (  segid " 1SG" and resid 49   and name HD2%)
   (( segid " 1SG" and resid 49   and name HB2 ))
      3.200     1.300     1.300 peak  1831 spectrum    1 weight  0.10000E+01 volume  0.14576E-02 ppm1      1.030 ppm2      1.580 CV     1
 ASSI { 1835}
   (  segid " 1SG" and resid 8    and name HG1%)
   (( segid " 1SG" and resid 37   and name HG2 ))
      3.200     3.200     2.800 peak  1835 spectrum    1 weight  0.10000E+01 volume  0.14523E-02 ppm1      0.909 ppm2      1.362 CV     1
 OR { 1835}
   (  segid " 1SG" and resid 8    and name HG2%)
   (( segid " 1SG" and resid 37   and name HG2 ))
 OR { 1835}
   (  segid " 1SG" and resid 8    and name HG2%)
   (( segid " 1SG" and resid 37   and name HB2 ))
 ASSI { 1841}
   (( segid " 1SG" and resid 52   and name HB2 ))
   (( segid " 1SG" and resid 52   and name HA  ))
      2.900     1.000     1.000 peak  1841 spectrum    1 weight  0.10000E+01 volume  0.14464E-02 ppm1      1.738 ppm2      4.629 CV     1
 ASSI { 1843}
   (( segid " 1SG" and resid 58   and name HA  ))
   (( segid " 1SG" and resid 58   and name HG2 ))
      3.400     1.500     1.500 peak  1843 spectrum    1 weight  0.10000E+01 volume  0.14455E-02 ppm1      4.621 ppm2      1.817 CV     1
 ASSI { 1852}
   (( segid " 1SG" and resid 69   and name HA  ))
   (( segid " 1SG" and resid 29   and name HA  ))
      2.700     0.900     0.900 peak  1852 spectrum    1 weight  0.10000E+01 volume  0.14305E-02 ppm1      4.592 ppm2      4.392 CV     1
 ASSI { 1853}
   (( segid " 1SG" and resid 57   and name HG  ))
   (( segid " 1SG" and resid 49   and name HB2 ))
      3.200     3.200     2.800 peak  1853 spectrum    1 weight  0.10000E+01 volume  0.14299E-02 ppm1      0.753 ppm2      1.558 CV     1
 ASSI { 1870}
   (( segid " 1SG" and resid 15   and name HA  ))
   (( segid " 1SG" and resid 15   and name HG1 ))
      2.900     1.100     1.100 peak  1870 spectrum    1 weight  0.10000E+01 volume  0.14107E-02 ppm1      5.504 ppm2      2.280 CV     1
 OR { 1870}
   (( segid " 1SG" and resid 15   and name HA  ))
   (( segid " 1SG" and resid 15   and name HG2 ))
 ASSI { 1875}
   (( segid " 1SG" and resid 22   and name HB  ))
   (( segid " 1SG" and resid 104  and name HB2 ))
      3.100     1.200     1.200 peak  1875 spectrum    1 weight  0.10000E+01 volume  0.14081E-02 ppm1      1.541 ppm2      1.250 CV     1
 ASSI { 1880}
   (( segid " 1SG" and resid 56   and name HA  ))
   (( segid " 1SG" and resid 56   and name HB2 ))
      2.900     1.100     1.100 peak  1880 spectrum    1 weight  0.10000E+01 volume  0.14043E-02 ppm1      4.971 ppm2      3.108 CV     1
 ASSI { 1884}
   (( segid " 1SG" and resid 52   and name HG1 ))
   (( segid " 1SG" and resid 53   and name HB  ))
      3.500     3.500     2.500 peak  1884 spectrum    1 weight  0.10000E+01 volume  0.14028E-02 ppm1      1.340 ppm2      2.157 CV     1
 OR { 1884}
   (( segid " 1SG" and resid 52   and name HG2 ))
   (( segid " 1SG" and resid 53   and name HB  ))
 ASSI { 1886}
   (( segid " 1SG" and resid 18   and name HA  ))
   (  segid " 1SG" and resid 79   and name HB% )
      3.000     1.100     1.100 peak  1886 spectrum    1 weight  0.10000E+01 volume  0.14021E-02 ppm1      3.516 ppm2      1.196 CV     1
 ASSI { 1887}
   (( segid " 1SG" and resid 4    and name HB  ))
   (( segid " 1SG" and resid 4    and name HA  ))
      2.900     1.000     1.000 peak  1887 spectrum    1 weight  0.10000E+01 volume  0.14021E-02 ppm1      2.054 ppm2      4.033 CV     1
 ASSI { 1888}
   (( segid " 1SG" and resid 37   and name HB2 ))
   (( segid " 1SG" and resid 37   and name HA  ))
      3.100     1.200     1.200 peak  1888 spectrum    1 weight  0.10000E+01 volume  0.14013E-02 ppm1      1.383 ppm2      4.501 CV     1
 ASSI { 1889}
   (( segid " 1SG" and resid 91   and name HA  ))
   (( segid " 1SG" and resid 91   and name HB  ))
      2.800     1.000     1.000 peak  1889 spectrum    1 weight  0.10000E+01 volume  0.14010E-02 ppm1      4.743 ppm2      1.134 CV     1
 ASSI { 1895}
   (( segid " 1SG" and resid 6    and name HG  ))
   (  segid " 1SG" and resid 6    and name HD1%)
      2.800     1.000     1.000 peak  1895 spectrum    1 weight  0.10000E+01 volume  0.13965E-02 ppm1      1.341 ppm2      0.677 CV     1
 ASSI { 1898}
   (( segid " 1SG" and resid 49   and name HA  ))
   (( segid " 1SG" and resid 52   and name HB2 ))
      2.800     1.000     1.000 peak  1898 spectrum    1 weight  0.10000E+01 volume  0.13960E-02 ppm1      3.862 ppm2      1.730 CV     1
 ASSI { 1902}
   (( segid " 1SG" and resid 27   and name HA  ))
   (( segid " 1SG" and resid 71   and name HA  ))
      2.600     0.800     0.800 peak  1902 spectrum    1 weight  0.10000E+01 volume  0.13911E-02 ppm1      5.835 ppm2      5.076 CV     1
 ASSI { 1907}
   (( segid " 1SG" and resid 4    and name HB  ))
   (( segid " 1SG" and resid 4    and name HG12))
      2.900     1.000     1.000 peak  1907 spectrum    1 weight  0.10000E+01 volume  0.13812E-02 ppm1      2.046 ppm2      1.247 CV     1
 ASSI { 1908}
   (( segid " 1SG" and resid 45   and name HG2 ))
   (( segid " 1SG" and resid 45   and name HD2 ))
      2.900     1.100     1.100 peak  1908 spectrum    1 weight  0.10000E+01 volume  0.13808E-02 ppm1      0.596 ppm2      1.238 CV     1
 OR { 1908}
   (( segid " 1SG" and resid 45   and name HG2 ))
   (( segid " 1SG" and resid 45   and name HD1 ))
 ASSI { 1924}
   (( segid " 1SG" and resid 43   and name HB2 ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      3.300     3.300     2.700 peak  1924 spectrum    1 weight  0.10000E+01 volume  0.13595E-02 ppm1      1.237 ppm2      1.469 CV     1
 ASSI { 1932}
   (  segid " 1SG" and resid 57   and name HD2%)
   (  segid " 1SG" and resid 59   and name HD1%)
      3.400     1.500     1.500 peak  1932 spectrum    1 weight  0.10000E+01 volume  0.13556E-02 ppm1      0.616 ppm2      0.865 CV     1
 OR { 1932}
   (  segid " 1SG" and resid 57   and name HD1%)
   (  segid " 1SG" and resid 59   and name HD1%)
 ASSI { 1936}
   (  segid " 1SG" and resid 39   and name HG2%)
   (  segid " 1SG" and resid 28   and name HG2%)
      2.900     1.100     1.100 peak  1936 spectrum    1 weight  0.10000E+01 volume  0.13535E-02 ppm1     -0.444 ppm2      0.644 CV     1
 ASSI { 1941}
   (  segid " 1SG" and resid 26   and name HB% )
   (  segid " 1SG" and resid 28   and name HG2%)
      3.000     1.100     1.100 peak  1941 spectrum    1 weight  0.10000E+01 volume  0.13472E-02 ppm1      1.468 ppm2      0.658 CV     1
 ASSI { 1950}
   (( segid " 1SG" and resid 24   and name HA  ))
   (( segid " 1SG" and resid 12   and name HG2 ))
      2.500     2.500     3.500 peak  1950 spectrum    1 weight  0.10000E+01 volume  0.13413E-02 ppm1      4.620 ppm2      2.453 CV     1
 OR { 1950}
   (( segid " 1SG" and resid 24   and name HA  ))
   (( segid " 1SG" and resid 12   and name HG1 ))
 ASSI { 1953}
   (  segid " 1SG" and resid 8    and name HG2%)
   (( segid " 1SG" and resid 27   and name HD1 ))
      3.100     1.200     1.200 peak  1953 spectrum    1 weight  0.10000E+01 volume  0.13396E-02 ppm1      0.980 ppm2      3.114 CV     1
 OR { 1953}
   (  segid " 1SG" and resid 8    and name HG2%)
   (( segid " 1SG" and resid 27   and name HD2 ))
 OR { 1953}
   (  segid " 1SG" and resid 8    and name HG1%)
   (( segid " 1SG" and resid 27   and name HD1 ))
 OR { 1953}
   (  segid " 1SG" and resid 8    and name HG1%)
   (( segid " 1SG" and resid 27   and name HD2 ))
 ASSI { 1956}
   (( segid " 1SG" and resid 83   and name HA  ))
   (( segid " 1SG" and resid 83   and name HB2 ))
      2.900     1.100     1.100 peak  1956 spectrum    1 weight  0.10000E+01 volume  0.13381E-02 ppm1      4.609 ppm2      3.190 CV     1
 ASSI { 1958}
   (( segid " 1SG" and resid 40   and name HA  ))
   (( segid " 1SG" and resid 40   and name HG1 ))
      3.400     1.400     1.400 peak  1958 spectrum    1 weight  0.10000E+01 volume  0.13341E-02 ppm1      4.545 ppm2      1.245 CV     1
 OR { 1958}
   (( segid " 1SG" and resid 40   and name HA  ))
   (( segid " 1SG" and resid 40   and name HG2 ))
 ASSI { 1963}
   (  segid " 1SG" and resid 77   and name HG2%)
   (( segid " 1SG" and resid 76   and name HA  ))
      3.200     1.300     1.300 peak  1963 spectrum    1 weight  0.10000E+01 volume  0.13318E-02 ppm1      1.045 ppm2      4.982 CV     1
 ASSI { 1965}
   (( segid " 1SG" and resid 83   and name HA  ))
   (( segid " 1SG" and resid 44   and name HA2 ))
      3.300     3.300     2.700 peak  1965 spectrum    1 weight  0.10000E+01 volume  0.13304E-02 ppm1      4.568 ppm2      3.808 CV     1
 ASSI { 1969}
   (( segid " 1SG" and resid 12   and name HB2 ))
   (  segid " 1SG" and resid 22   and name HD1%)
      2.900     2.900     3.100 peak  1969 spectrum    1 weight  0.10000E+01 volume  0.13260E-02 ppm1      1.944 ppm2      0.544 CV     1
 ASSI { 1970}
   (  segid " 1SG" and resid 91   and name HG2%)
   (( segid " 1SG" and resid 38   and name HA  ))
      3.300     1.300     1.300 peak  1970 spectrum    1 weight  0.10000E+01 volume  0.13243E-02 ppm1      0.115 ppm2      3.907 CV     1
 ASSI { 1987}
   (( segid " 1SG" and resid 36   and name HD2 ))
   (( segid " 1SG" and resid 35   and name HB2 ))
      2.700     0.900     0.900 peak  1987 spectrum    1 weight  0.10000E+01 volume  0.13076E-02 ppm1      3.509 ppm2      1.780 CV     1
 OR { 1987}
   (( segid " 1SG" and resid 36   and name HD2 ))
   (( segid " 1SG" and resid 35   and name HB1 ))
 ASSI { 1991}
   (  segid " 1SG" and resid 18   and name HG1%)
   (( segid " 1SG" and resid 81   and name HD2 ))
      3.600     1.600     1.600 peak  1991 spectrum    1 weight  0.10000E+01 volume  0.13036E-02 ppm1      1.013 ppm2      3.582 CV     1
 ASSI { 1993}
   (( segid " 1SG" and resid 71   and name HA  ))
   (( segid " 1SG" and resid 71   and name HB2 ))
      2.600     0.800     0.800 peak  1993 spectrum    1 weight  0.10000E+01 volume  0.13017E-02 ppm1      5.070 ppm2      1.269 CV     1
 ASSI { 1994}
   (( segid " 1SG" and resid 103  and name HA  ))
   (( segid " 1SG" and resid 86   and name HA2 ))
      2.700     0.900     0.900 peak  1994 spectrum    1 weight  0.10000E+01 volume  0.13013E-02 ppm1      5.554 ppm2      4.675 CV     1
 ASSI { 1996}
   (( segid " 1SG" and resid 81   and name HD2 ))
   (( segid " 1SG" and resid 80   and name HG1 ))
      2.700     0.900     0.900 peak  1996 spectrum    1 weight  0.10000E+01 volume  0.13002E-02 ppm1      3.576 ppm2      2.181 CV     1
 OR { 1996}
   (( segid " 1SG" and resid 81   and name HD2 ))
   (( segid " 1SG" and resid 80   and name HG2 ))
 ASSI { 2006}
   (( segid " 1SG" and resid 22   and name HA  ))
   (  segid " 1SG" and resid 22   and name HD1%)
      2.900     1.000     1.000 peak  2006 spectrum    1 weight  0.10000E+01 volume  0.12897E-02 ppm1      4.352 ppm2      0.547 CV     1
 ASSI { 2008}
   (( segid " 1SG" and resid 33   and name HG  ))
   (( segid " 1SG" and resid 35   and name HA  ))
      3.000     1.100     1.100 peak  2008 spectrum    1 weight  0.10000E+01 volume  0.12892E-02 ppm1      0.923 ppm2      4.674 CV     1
 ASSI { 2016}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 22   and name HA  ))
      3.200     1.300     1.300 peak  2016 spectrum    1 weight  0.10000E+01 volume  0.12837E-02 ppm1      0.604 ppm2      4.356 CV     1
 ASSI { 2017}
   (( segid " 1SG" and resid 90   and name HA  ))
   (( segid " 1SG" and resid 99   and name HA  ))
      2.800     1.000     1.000 peak  2017 spectrum    1 weight  0.10000E+01 volume  0.12833E-02 ppm1      4.768 ppm2      5.709 CV     1
 ASSI { 2018}
   (( segid " 1SG" and resid 68   and name HE2 ))
   (( segid " 1SG" and resid 37   and name HG2 ))
      2.500     2.500     3.500 peak  2018 spectrum    1 weight  0.10000E+01 volume  0.12822E-02 ppm1      3.019 ppm2      1.361 CV     1
 OR { 2018}
   (( segid " 1SG" and resid 68   and name HE1 ))
   (( segid " 1SG" and resid 37   and name HG2 ))
 OR { 2018}
   (( segid " 1SG" and resid 68   and name HE2 ))
   (( segid " 1SG" and resid 37   and name HB2 ))
 OR { 2018}
   (( segid " 1SG" and resid 68   and name HE1 ))
   (( segid " 1SG" and resid 37   and name HB2 ))
 ASSI { 2024}
   (  segid " 1SG" and resid 49   and name HD2%)
   (  segid " 1SG" and resid 87   and name HD% )
      3.000     1.100     1.100 peak  2024 spectrum    1 weight  0.10000E+01 volume  0.12760E-02 ppm1      1.029 ppm2      6.809 CV     1
 ASSI { 2025}
   (( segid " 1SG" and resid 4    and name HA  ))
   (( segid " 1SG" and resid 4    and name HG12))
      3.100     1.200     1.200 peak  2025 spectrum    1 weight  0.10000E+01 volume  0.12755E-02 ppm1      4.024 ppm2      1.245 CV     1
 ASSI { 2029}
   (( segid " 1SG" and resid 56   and name HA  ))
   (  segid " 1SG" and resid 77   and name HG2%)
      3.200     1.300     1.300 peak  2029 spectrum    1 weight  0.10000E+01 volume  0.12745E-02 ppm1      4.981 ppm2      1.049 CV     1
 ASSI { 2030}
   (  segid " 1SG" and resid 104  and name HD1%)
   (( segid " 1SG" and resid 15   and name HA  ))
      3.100     1.200     1.200 peak  2030 spectrum    1 weight  0.10000E+01 volume  0.12744E-02 ppm1      0.983 ppm2      5.499 CV     1
 ASSI { 2045}
   (( segid " 1SG" and resid 108  and name HG2 ))
   (  segid " 1SG" and resid 18   and name HG2%)
      3.100     1.200     1.200 peak  2045 spectrum    1 weight  0.10000E+01 volume  0.12618E-02 ppm1      2.191 ppm2      0.964 CV     1
 OR { 2045}
   (( segid " 1SG" and resid 108  and name HG1 ))
   (  segid " 1SG" and resid 18   and name HG2%)
 OR { 2045}
   (( segid " 1SG" and resid 108  and name HG1 ))
   (  segid " 1SG" and resid 18   and name HG1%)
 ASSI { 2047}
   (( segid " 1SG" and resid 40   and name HB2 ))
   (( segid " 1SG" and resid 40   and name HD2 ))
      2.800     1.000     1.000 peak  2047 spectrum    1 weight  0.10000E+01 volume  0.12603E-02 ppm1      1.370 ppm2      1.689 CV     1
 OR { 2047}
   (( segid " 1SG" and resid 40   and name HB2 ))
   (( segid " 1SG" and resid 40   and name HD1 ))
 ASSI { 2066}
   (( segid " 1SG" and resid 10   and name HB2 ))
   (  segid " 1SG" and resid 26   and name HB% )
      3.400     3.400     2.600 peak  2066 spectrum    1 weight  0.10000E+01 volume  0.12428E-02 ppm1      1.238 ppm2      1.481 CV     1
 ASSI { 2073}
   (  segid " 1SG" and resid 76   and name HD1%)
   (  segid " 1SG" and resid 24   and name HE% )
      2.800     1.000     1.000 peak  2073 spectrum    1 weight  0.10000E+01 volume  0.12365E-02 ppm1      0.676 ppm2      7.166 CV     1
 ASSI { 2074}
   (( segid " 1SG" and resid 80   and name HG2 ))
   (  segid " 1SG" and resid 82   and name HB% )
      3.100     1.200     1.200 peak  2074 spectrum    1 weight  0.10000E+01 volume  0.12353E-02 ppm1      2.175 ppm2      1.330 CV     1
 OR { 2074}
   (( segid " 1SG" and resid 80   and name HG1 ))
   (  segid " 1SG" and resid 82   and name HB% )
 ASSI { 2078}
   (  segid " 1SG" and resid 69   and name HG1%)
   (( segid " 1SG" and resid 27   and name HA  ))
      3.200     1.300     1.300 peak  2078 spectrum    1 weight  0.10000E+01 volume  0.12328E-02 ppm1      0.856 ppm2      5.839 CV     1
 ASSI { 2079}
   (  segid " 1SG" and resid 77   and name HG2%)
   (( segid " 1SG" and resid 21   and name HB2 ))
      3.000     1.100     1.100 peak  2079 spectrum    1 weight  0.10000E+01 volume  0.12319E-02 ppm1      1.049 ppm2      3.757 CV     1
 ASSI { 2082}
   (( segid " 1SG" and resid 21   and name HA  ))
   (( segid " 1SG" and resid 20   and name HN  ))
      3.100     3.100     2.900 peak  2082 spectrum    1 weight  0.10000E+01 volume  0.12306E-02 ppm1      5.517 ppm2      8.843 CV     1
 ASSI { 2087}
   (( segid " 1SG" and resid 58   and name HG2 ))
   (( segid " 1SG" and resid 75   and name HB2 ))
      3.200     1.300     1.300 peak  2087 spectrum    1 weight  0.10000E+01 volume  0.12252E-02 ppm1      1.816 ppm2      2.887 CV     1
 OR { 2087}
   (( segid " 1SG" and resid 58   and name HG2 ))
   (( segid " 1SG" and resid 75   and name HB1 ))
 ASSI { 2091}
   (( segid " 1SG" and resid 38   and name HA  ))
   (( segid " 1SG" and resid 38   and name HB  ))
      2.900     1.100     1.100 peak  2091 spectrum    1 weight  0.10000E+01 volume  0.12232E-02 ppm1      3.896 ppm2      1.900 CV     1
 ASSI { 2110}
   (( segid " 1SG" and resid 37   and name HD2 ))
   (( segid " 1SG" and resid 37   and name HG2 ))
      2.800     1.000     1.000 peak  2110 spectrum    1 weight  0.10000E+01 volume  0.12111E-02 ppm1      2.368 ppm2      1.373 CV     1
 OR { 2110}
   (( segid " 1SG" and resid 37   and name HD2 ))
   (( segid " 1SG" and resid 37   and name HB2 ))
 ASSI { 2121}
   (( segid " 1SG" and resid 76   and name HA  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      2.900     1.100     1.100 peak  2121 spectrum    1 weight  0.10000E+01 volume  0.12042E-02 ppm1      5.017 ppm2      1.434 CV     1
 ASSI { 2125}
   (( segid " 1SG" and resid 73   and name HB2 ))
   (  segid " 1SG" and resid 23   and name HG2%)
      3.200     1.300     1.300 peak  2125 spectrum    1 weight  0.10000E+01 volume  0.12012E-02 ppm1      1.540 ppm2      0.786 CV     1
 ASSI { 2158}
   (( segid " 1SG" and resid 22   and name HA  ))
   (( segid " 1SG" and resid 22   and name HG12))
      3.500     1.600     1.600 peak  2158 spectrum    1 weight  0.10000E+01 volume  0.11833E-02 ppm1      4.352 ppm2      0.101 CV     1
 ASSI { 2159}
   (  segid " 1SG" and resid 49   and name HD2%)
   (( segid " 1SG" and resid 59   and name HB2 ))
      2.900     1.000     1.000 peak  2159 spectrum    1 weight  0.10000E+01 volume  0.11819E-02 ppm1      1.025 ppm2      1.678 CV     1
 OR { 2159}
   (  segid " 1SG" and resid 49   and name HD2%)
   (( segid " 1SG" and resid 59   and name HB1 ))
 ASSI { 2171}
   (( segid " 1SG" and resid 83   and name HA  ))
   (  segid " 1SG" and resid 83   and name HD% )
      2.800     1.000     1.000 peak  2171 spectrum    1 weight  0.10000E+01 volume  0.11753E-02 ppm1      4.623 ppm2      7.128 CV     1
 ASSI { 2173}
   (( segid " 1SG" and resid 48   and name HA  ))
   (( segid " 1SG" and resid 42   and name HA  ))
      3.000     1.100     1.100 peak  2173 spectrum    1 weight  0.10000E+01 volume  0.11728E-02 ppm1      4.223 ppm2      5.804 CV     1
 ASSI { 2183}
   (( segid " 1SG" and resid 77   and name HA  ))
   (( segid " 1SG" and resid 21   and name HB2 ))
      3.200     1.300     1.300 peak  2183 spectrum    1 weight  0.10000E+01 volume  0.11676E-02 ppm1      4.660 ppm2      3.760 CV     1
 ASSI { 2186}
   (( segid " 1SG" and resid 80   and name HG1 ))
   (( segid " 1SG" and resid 106  and name HB  ))
      3.400     3.400     2.600 peak  2186 spectrum    1 weight  0.10000E+01 volume  0.11662E-02 ppm1      2.159 ppm2      1.868 CV     1
 OR { 2186}
   (( segid " 1SG" and resid 80   and name HG2 ))
   (( segid " 1SG" and resid 106  and name HB  ))
 ASSI { 2192}
   (  segid " 1SG" and resid 76   and name HG2%)
   (  segid " 1SG" and resid 83   and name HD% )
      3.000     1.200     1.200 peak  2192 spectrum    1 weight  0.10000E+01 volume  0.11608E-02 ppm1      0.821 ppm2      7.134 CV     1
 ASSI { 2197}
   (( segid " 1SG" and resid 27   and name HD2 ))
   (( segid " 1SG" and resid 9    and name HB2 ))
      3.000     1.100     1.100 peak  2197 spectrum    1 weight  0.10000E+01 volume  0.11583E-02 ppm1      3.125 ppm2      1.911 CV     1
 OR { 2197}
   (( segid " 1SG" and resid 27   and name HD1 ))
   (( segid " 1SG" and resid 9    and name HB2 ))
 ASSI { 2202}
   (  segid " 1SG" and resid 39   and name HG1%)
   (  segid " 1SG" and resid 91   and name HG2%)
      3.200     1.200     1.200 peak  2202 spectrum    1 weight  0.10000E+01 volume  0.11562E-02 ppm1     -0.058 ppm2      0.160 CV     1
 ASSI { 2207}
   (( segid " 1SG" and resid 65   and name HA  ))
   (( segid " 1SG" and resid 68   and name HA  ))
      3.100     1.200     1.200 peak  2207 spectrum    1 weight  0.10000E+01 volume  0.11519E-02 ppm1      3.454 ppm2      3.592 CV     1
 ASSI { 2222}
   (( segid " 1SG" and resid 48   and name HA  ))
   (( segid " 1SG" and resid 48   and name HB2 ))
      3.000     1.100     1.100 peak  2222 spectrum    1 weight  0.10000E+01 volume  0.11408E-02 ppm1      4.212 ppm2      2.933 CV     1
 ASSI { 2227}
   (( segid " 1SG" and resid 104  and name HA  ))
   (( segid " 1SG" and resid 104  and name HG  ))
      3.000     1.100     1.100 peak  2227 spectrum    1 weight  0.10000E+01 volume  0.11371E-02 ppm1      5.435 ppm2      1.354 CV     1
 ASSI { 2230}
   (( segid " 1SG" and resid 43   and name HE2 ))
   (  segid " 1SG" and resid 47   and name HG1%)
      3.100     1.200     1.200 peak  2230 spectrum    1 weight  0.10000E+01 volume  0.11363E-02 ppm1      2.519 ppm2      0.999 CV     1
 ASSI { 2232}
   (  segid " 1SG" and resid 22   and name HD1%)
   (( segid " 1SG" and resid 22   and name HA  ))
      3.000     1.100     1.100 peak  2232 spectrum    1 weight  0.10000E+01 volume  0.11336E-02 ppm1      0.551 ppm2      4.359 CV     1
 OR { 2232}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 22   and name HA  ))
 ASSI { 2236}
   (  segid " 1SG" and resid 16   and name HG1%)
   (( segid " 1SG" and resid 22   and name HG12))
      3.400     1.500     1.500 peak  2236 spectrum    1 weight  0.10000E+01 volume  0.11314E-02 ppm1      0.978 ppm2      0.115 CV     1
 ASSI { 2241}
   (( segid " 1SG" and resid 27   and name HD2 ))
   (( segid " 1SG" and resid 9    and name HG2 ))
      3.100     1.200     1.200 peak  2241 spectrum    1 weight  0.10000E+01 volume  0.11298E-02 ppm1      3.123 ppm2      2.513 CV     1
 OR { 2241}
   (( segid " 1SG" and resid 27   and name HD1 ))
   (( segid " 1SG" and resid 9    and name HG2 ))
 ASSI { 2243}
   (( segid " 1SG" and resid 28   and name HB  ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      2.800     1.000     1.000 peak  2243 spectrum    1 weight  0.10000E+01 volume  0.11288E-02 ppm1      1.975 ppm2      2.823 CV     1
 ASSI { 2245}
   (( segid " 1SG" and resid 13   and name HA  ))
   (( segid " 1SG" and resid 103  and name HA  ))
      3.200     1.300     1.300 peak  2245 spectrum    1 weight  0.10000E+01 volume  0.11280E-02 ppm1      5.374 ppm2      5.527 CV     1
 ASSI { 2255}
   (  segid " 1SG" and resid 77   and name HG2%)
   (( segid " 1SG" and resid 75   and name HB1 ))
      2.800     1.000     1.000 peak  2255 spectrum    1 weight  0.10000E+01 volume  0.11239E-02 ppm1      1.046 ppm2      2.909 CV     1
 ASSI { 2258}
   (( segid " 1SG" and resid 6    and name HB2 ))
   (  segid " 1SG" and resid 6    and name HD1%)
      2.900     1.100     1.100 peak  2258 spectrum    1 weight  0.10000E+01 volume  0.11226E-02 ppm1      0.963 ppm2      0.668 CV     1
 ASSI { 2267}
   (( segid " 1SG" and resid 49   and name HA  ))
   (( segid " 1SG" and resid 52   and name HG2 ))
      3.500     1.600     1.600 peak  2267 spectrum    1 weight  0.10000E+01 volume  0.11180E-02 ppm1      3.862 ppm2      1.350 CV     1
 OR { 2267}
   (( segid " 1SG" and resid 49   and name HA  ))
   (( segid " 1SG" and resid 52   and name HG1 ))
 ASSI { 2271}
   (( segid " 1SG" and resid 76   and name HB  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      3.600     3.600     2.400 peak  2271 spectrum    1 weight  0.10000E+01 volume  0.11152E-02 ppm1      1.936 ppm2      1.428 CV     1
 ASSI { 2279}
   (( segid " 1SG" and resid 88   and name HA  ))
   (( segid " 1SG" and resid 99   and name HB2 ))
      3.300     3.300     2.700 peak  2279 spectrum    1 weight  0.10000E+01 volume  0.11088E-02 ppm1      5.350 ppm2      2.743 CV     1
 ASSI { 2289}
   (  segid " 1SG" and resid 28   and name HG2%)
   (( segid " 1SG" and resid 37   and name HB2 ))
      3.200     1.300     1.300 peak  2289 spectrum    1 weight  0.10000E+01 volume  0.11029E-02 ppm1      0.647 ppm2      1.378 CV     1
 OR { 2289}
   (  segid " 1SG" and resid 28   and name HG2%)
   (( segid " 1SG" and resid 37   and name HG2 ))
 ASSI { 2293}
   (( segid " 1SG" and resid 31   and name HA  ))
   (( segid " 1SG" and resid 68   and name HG1 ))
      3.300     1.300     1.300 peak  2293 spectrum    1 weight  0.10000E+01 volume  0.11007E-02 ppm1      4.171 ppm2      1.264 CV     1
 OR { 2293}
   (( segid " 1SG" and resid 31   and name HA  ))
   (( segid " 1SG" and resid 68   and name HG2 ))
 ASSI { 2296}
   (  segid " 1SG" and resid 59   and name HD2%)
   (( segid " 1SG" and resid 41   and name HD1 ))
      3.100     1.200     1.200 peak  2296 spectrum    1 weight  0.10000E+01 volume  0.10983E-02 ppm1      0.713 ppm2      7.136 CV     1
 ASSI { 2301}
   (( segid " 1SG" and resid 91   and name HB  ))
   (  segid " 1SG" and resid 39   and name HG2%)
      3.100     1.200     1.200 peak  2301 spectrum    1 weight  0.10000E+01 volume  0.10954E-02 ppm1      1.137 ppm2     -0.446 CV     1
 ASSI { 2309}
   (( segid " 1SG" and resid 51   and name HA  ))
   (( segid " 1SG" and resid 49   and name HA  ))
      3.500     3.500     2.500 peak  2309 spectrum    1 weight  0.10000E+01 volume  0.10908E-02 ppm1      4.570 ppm2      3.884 CV     1
 ASSI { 2310}
   (( segid " 1SG" and resid 70   and name HA  ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      3.200     1.300     1.300 peak  2310 spectrum    1 weight  0.10000E+01 volume  0.10898E-02 ppm1      4.744 ppm2      2.830 CV     1
 ASSI { 2317}
   (( segid " 1SG" and resid 93   and name HB  ))
   (  segid " 1SG" and resid 33   and name HD2%)
      3.300     1.300     1.300 peak  2317 spectrum    1 weight  0.10000E+01 volume  0.10871E-02 ppm1      4.559 ppm2      0.871 CV     1
 OR { 2317}
   (( segid " 1SG" and resid 93   and name HB  ))
   (  segid " 1SG" and resid 33   and name HD1%)
 ASSI { 2331}
   (  segid " 1SG" and resid 106  and name HG1%)
   (( segid " 1SG" and resid 81   and name HA  ))
      2.900     1.000     1.000 peak  2331 spectrum    1 weight  0.10000E+01 volume  0.10812E-02 ppm1      0.693 ppm2      4.008 CV     1
 ASSI { 2335}
   (( segid " 1SG" and resid 39   and name HA  ))
   (( segid " 1SG" and resid 39   and name HB  ))
      3.000     1.100     1.100 peak  2335 spectrum    1 weight  0.10000E+01 volume  0.10770E-02 ppm1      4.804 ppm2      0.587 CV     1
 ASSI { 2340}
   (( segid " 1SG" and resid 98   and name HA  ))
   (( segid " 1SG" and resid 98   and name HB2 ))
      3.100     1.200     1.200 peak  2340 spectrum    1 weight  0.10000E+01 volume  0.10751E-02 ppm1      4.694 ppm2      2.296 CV     1
 ASSI { 2346}
   (( segid " 1SG" and resid 6    and name HB2 ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.000     1.100     1.100 peak  2346 spectrum    1 weight  0.10000E+01 volume  0.10714E-02 ppm1      0.963 ppm2      0.486 CV     1
 ASSI { 2362}
   (( segid " 1SG" and resid 7    and name HA  ))
   (( segid " 1SG" and resid 7    and name HB2 ))
      3.000     1.100     1.100 peak  2362 spectrum    1 weight  0.10000E+01 volume  0.10652E-02 ppm1      4.637 ppm2      2.585 CV     1
 ASSI { 2363}
   (( segid " 1SG" and resid 36   and name HA  ))
   (( segid " 1SG" and resid 36   and name HG2 ))
      3.600     1.700     1.700 peak  2363 spectrum    1 weight  0.10000E+01 volume  0.10645E-02 ppm1      4.009 ppm2      1.986 CV     1
 ASSI { 2364}
   (( segid " 1SG" and resid 81   and name HD2 ))
   (( segid " 1SG" and resid 80   and name HB1 ))
      3.200     1.300     1.300 peak  2364 spectrum    1 weight  0.10000E+01 volume  0.10644E-02 ppm1      3.586 ppm2      1.952 CV     1
 OR { 2364}
   (( segid " 1SG" and resid 81   and name HD2 ))
   (( segid " 1SG" and resid 80   and name HB2 ))
 ASSI { 2366}
   (  segid " 1SG" and resid 59   and name HD1%)
   (( segid " 1SG" and resid 59   and name HA  ))
      3.600     1.600     1.600 peak  2366 spectrum    1 weight  0.10000E+01 volume  0.10633E-02 ppm1      0.860 ppm2      5.189 CV     1
 ASSI { 2378}
   (( segid " 1SG" and resid 104  and name HA  ))
   (( segid " 1SG" and resid 104  and name HB2 ))
      2.700     0.900     0.900 peak  2378 spectrum    1 weight  0.10000E+01 volume  0.10536E-02 ppm1      5.436 ppm2      1.226 CV     1
 ASSI { 2382}
   (  segid " 1SG" and resid 76   and name HD1%)
   (( segid " 1SG" and resid 76   and name HA  ))
      3.600     1.600     1.600 peak  2382 spectrum    1 weight  0.10000E+01 volume  0.10511E-02 ppm1      0.679 ppm2      5.010 CV     1
 ASSI { 2392}
   (( segid " 1SG" and resid 43   and name HA  ))
   (( segid " 1SG" and resid 43   and name HB2 ))
      2.700     0.900     0.900 peak  2392 spectrum    1 weight  0.10000E+01 volume  0.10462E-02 ppm1      4.138 ppm2      1.232 CV     1
 ASSI { 2397}
   (( segid " 1SG" and resid 6    and name HA  ))
   (  segid " 1SG" and resid 29   and name HB% )
      3.000     1.200     1.200 peak  2397 spectrum    1 weight  0.10000E+01 volume  0.10448E-02 ppm1      4.459 ppm2      1.524 CV     1
 ASSI { 2402}
   (( segid " 1SG" and resid 101  and name HA  ))
   (( segid " 1SG" and resid 101  and name HB2 ))
      3.100     1.200     1.200 peak  2402 spectrum    1 weight  0.10000E+01 volume  0.10403E-02 ppm1      5.518 ppm2      2.697 CV     1
 ASSI { 2404}
   (  segid " 1SG" and resid 106  and name HG1%)
   (( segid " 1SG" and resid 83   and name HB2 ))
      3.200     1.200     1.200 peak  2404 spectrum    1 weight  0.10000E+01 volume  0.10396E-02 ppm1      0.689 ppm2      3.185 CV     1
 ASSI { 2405}
   (  segid " 1SG" and resid 26   and name HB% )
   (( segid " 1SG" and resid 72   and name HB2 ))
      3.300     1.400     1.400 peak  2405 spectrum    1 weight  0.10000E+01 volume  0.10391E-02 ppm1      1.468 ppm2      2.900 CV     1
 ASSI { 2415}
   (( segid " 1SG" and resid 43   and name HB2 ))
   (( segid " 1SG" and resid 43   and name HD1 ))
      2.900     1.100     1.100 peak  2415 spectrum    1 weight  0.10000E+01 volume  0.10312E-02 ppm1      1.235 ppm2      1.303 CV     1
 OR { 2415}
   (( segid " 1SG" and resid 43   and name HB2 ))
   (( segid " 1SG" and resid 43   and name HD2 ))
 ASSI { 2419}
   (( segid " 1SG" and resid 68   and name HA  ))
   (( segid " 1SG" and resid 68   and name HD1 ))
      3.500     1.500     1.500 peak  2419 spectrum    1 weight  0.10000E+01 volume  0.10300E-02 ppm1      3.611 ppm2      1.688 CV     1
 OR { 2419}
   (( segid " 1SG" and resid 68   and name HA  ))
   (( segid " 1SG" and resid 68   and name HD2 ))
 ASSI { 2422}
   (( segid " 1SG" and resid 77   and name HB  ))
   (( segid " 1SG" and resid 20   and name HA1 ))
      3.600     3.600     2.400 peak  2422 spectrum    1 weight  0.10000E+01 volume  0.10282E-02 ppm1      4.020 ppm2      3.721 CV     1
 ASSI { 2432}
   (( segid " 1SG" and resid 9    and name HB2 ))
   (( segid " 1SG" and resid 27   and name HB2 ))
      3.300     1.300     1.300 peak  2432 spectrum    1 weight  0.10000E+01 volume  0.10222E-02 ppm1      1.915 ppm2      1.587 CV     1
 OR { 2432}
   (( segid " 1SG" and resid 9    and name HB2 ))
   (( segid " 1SG" and resid 27   and name HB1 ))
 ASSI { 2436}
   (( segid " 1SG" and resid 90   and name HA  ))
   (( segid " 1SG" and resid 90   and name HB2 ))
      3.000     1.200     1.200 peak  2436 spectrum    1 weight  0.10000E+01 volume  0.10194E-02 ppm1      4.768 ppm2      2.030 CV     1
 ASSI { 2438}
   (( segid " 1SG" and resid 41   and name HB2 ))
   (  segid " 1SG" and resid 49   and name HD2%)
      3.100     1.200     1.200 peak  2438 spectrum    1 weight  0.10000E+01 volume  0.10184E-02 ppm1      3.149 ppm2      1.032 CV     1
 ASSI { 2444}
   (( segid " 1SG" and resid 39   and name HA  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      3.200     1.300     1.300 peak  2444 spectrum    1 weight  0.10000E+01 volume  0.10129E-02 ppm1      4.810 ppm2      0.189 CV     1
 OR { 2444}
   (( segid " 1SG" and resid 39   and name HA  ))
   (  segid " 1SG" and resid 91   and name HG1%)
 ASSI { 2461}
   (( segid " 1SG" and resid 34   and name HG  ))
   (( segid " 1SG" and resid 34   and name HA  ))
      3.200     1.300     1.300 peak  2461 spectrum    1 weight  0.10000E+01 volume  0.10028E-02 ppm1      0.937 ppm2      4.292 CV     1
 ASSI { 2472}
   (( segid " 1SG" and resid 41   and name HA  ))
   (( segid " 1SG" and resid 41   and name HB2 ))
      3.200     1.300     1.300 peak  2472 spectrum    1 weight  0.10000E+01 volume  0.99704E-03 ppm1      5.478 ppm2      3.157 CV     1
 ASSI { 2478}
   (  segid " 1SG" and resid 49   and name HD2%)
   (( segid " 1SG" and resid 53   and name HN  ))
      3.400     1.500     1.500 peak  2478 spectrum    1 weight  0.10000E+01 volume  0.99038E-03 ppm1      1.042 ppm2      6.757 CV     1
 ASSI { 2484}
   (( segid " 1SG" and resid 103  and name HA  ))
   (( segid " 1SG" and resid 86   and name HA1 ))
      4.000     2.000     2.000 peak  2484 spectrum    1 weight  0.10000E+01 volume  0.98868E-03 ppm1      5.555 ppm2      3.498 CV     1
 ASSI { 2491}
   (( segid " 1SG" and resid 76   and name HA  ))
   (( segid " 1SG" and resid 76   and name HG12))
      2.700     0.900     0.900 peak  2491 spectrum    1 weight  0.10000E+01 volume  0.98510E-03 ppm1      5.014 ppm2      1.107 CV     1
 ASSI { 2498}
   (( segid " 1SG" and resid 69   and name HA  ))
   (( segid " 1SG" and resid 69   and name HB  ))
      3.000     1.200     1.200 peak  2498 spectrum    1 weight  0.10000E+01 volume  0.97901E-03 ppm1      4.599 ppm2      1.771 CV     1
 ASSI { 2500}
   (( segid " 1SG" and resid 3    and name HD2 ))
   (( segid " 1SG" and resid 3    and name HB2 ))
      3.500     1.600     1.600 peak  2500 spectrum    1 weight  0.10000E+01 volume  0.97637E-03 ppm1      3.865 ppm2      2.293 CV     1
 OR { 2500}
   (( segid " 1SG" and resid 3    and name HD1 ))
   (( segid " 1SG" and resid 3    and name HB1 ))
 OR { 2500}
   (( segid " 1SG" and resid 3    and name HD1 ))
   (( segid " 1SG" and resid 3    and name HB2 ))
 OR { 2500}
   (( segid " 1SG" and resid 3    and name HD2 ))
   (( segid " 1SG" and resid 3    and name HB1 ))
 ASSI { 2501}
   (( segid " 1SG" and resid 42   and name HA  ))
   (  segid " 1SG" and resid 49   and name HD1%)
      3.000     1.200     1.200 peak  2501 spectrum    1 weight  0.10000E+01 volume  0.97618E-03 ppm1      5.813 ppm2      1.783 CV     1
 ASSI { 2511}
   (( segid " 1SG" and resid 16   and name HB  ))
   (( segid " 1SG" and resid 22   and name HB  ))
      3.400     1.500     1.500 peak  2511 spectrum    1 weight  0.10000E+01 volume  0.96538E-03 ppm1      1.814 ppm2      1.533 CV     1
 ASSI { 2523}
   (  segid " 1SG" and resid 53   and name HG2%)
   (( segid " 1SG" and resid 43   and name HB2 ))
      3.600     1.600     1.600 peak  2523 spectrum    1 weight  0.10000E+01 volume  0.96104E-03 ppm1      1.111 ppm2      1.209 CV     1
 OR { 2523}
   (  segid " 1SG" and resid 53   and name HG1%)
   (( segid " 1SG" and resid 43   and name HB2 ))
 ASSI { 2528}
   (( segid " 1SG" and resid 6    and name HA  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.700     1.700     1.700 peak  2528 spectrum    1 weight  0.10000E+01 volume  0.95815E-03 ppm1      4.452 ppm2      0.493 CV     1
 ASSI { 2549}
   (  segid " 1SG" and resid 39   and name HG2%)
   (( segid " 1SG" and resid 37   and name HB2 ))
      2.900     1.100     1.100 peak  2549 spectrum    1 weight  0.10000E+01 volume  0.94546E-03 ppm1     -0.453 ppm2      1.391 CV     1
 ASSI { 2550}
   (( segid " 1SG" and resid 85   and name HA2 ))
   (( segid " 1SG" and resid 44   and name HA2 ))
      3.400     1.400     1.400 peak  2550 spectrum    1 weight  0.10000E+01 volume  0.94533E-03 ppm1      4.537 ppm2      3.813 CV     1
 ASSI { 2580}
   (  segid " 1SG" and resid 59   and name HD1%)
   (( segid " 1SG" and resid 41   and name HD1 ))
      3.100     1.200     1.200 peak  2580 spectrum    1 weight  0.10000E+01 volume  0.92404E-03 ppm1      0.866 ppm2      7.141 CV     1
 ASSI { 2591}
   (( segid " 1SG" and resid 43   and name HA  ))
   (( segid " 1SG" and resid 43   and name HG2 ))
      3.300     1.300     1.300 peak  2591 spectrum    1 weight  0.10000E+01 volume  0.91669E-03 ppm1      4.134 ppm2      0.081 CV     1
 ASSI { 2595}
   (( segid " 1SG" and resid 108  and name HA  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.400     1.500     1.500 peak  2595 spectrum    1 weight  0.10000E+01 volume  0.91524E-03 ppm1      4.150 ppm2      0.398 CV     1
 ASSI { 2607}
   (  segid " 1SG" and resid 104  and name HD2%)
   (( segid " 1SG" and resid 104  and name HA  ))
      3.600     1.600     1.600 peak  2607 spectrum    1 weight  0.10000E+01 volume  0.90619E-03 ppm1      0.833 ppm2      5.446 CV     1
 ASSI {   29}
   (  segid " 1SG" and resid 97   and name HD% )
   (  segid " 1SG" and resid 97   and name HE% )
      2.100     0.500     0.500 peak    29 spectrum    1 weight  0.10000E+01 volume  0.75711E-02 ppm1      7.085 ppm2      7.264 CV     1
 ASSI {   35}
   (  segid " 1SG" and resid 42   and name HE% )
   (( segid " 1SG" and resid 42   and name HZ  ))
      2.200     0.600     0.600 peak    35 spectrum    1 weight  0.10000E+01 volume  0.65225E-02 ppm1      7.079 ppm2      7.178 CV     1
 ASSI {   46}
   (  segid " 1SG" and resid 70   and name HD% )
   (( segid " 1SG" and resid 70   and name HB2 ))
      2.100     0.600     0.600 peak    46 spectrum    1 weight  0.10000E+01 volume  0.68800E-02 ppm1      7.029 ppm2      2.797 CV     1
 ASSI {   51}
   (  segid " 1SG" and resid 87   and name HD% )
   (  segid " 1SG" and resid 76   and name HD1%)
      2.200     2.200     3.800 peak    51 spectrum    1 weight  0.10000E+01 volume  0.68800E-02 ppm1      6.766 ppm2      0.633 CV     1
 ASSI {   53}
   (  segid " 1SG" and resid 42   and name HD% )
   (  segid " 1SG" and resid 42   and name HE% )
      2.400     0.700     0.700 peak    53 spectrum    1 weight  0.10000E+01 volume  0.33790E-02 ppm1      6.664 ppm2      7.098 CV     1
 ASSI {   62}
   (  segid " 1SG" and resid 87   and name HE% )
   (  segid " 1SG" and resid 104  and name HD1%)
      2.500     2.500     3.500 peak    62 spectrum    1 weight  0.10000E+01 volume  0.68800E-02 ppm1      6.552 ppm2      0.945 CV     1
 ASSI {   77}
   (  segid " 1SG" and resid 63   and name HE% )
   (  segid " 1SG" and resid 63   and name HD% )
      2.600     0.900     0.900 peak    77 spectrum    1 weight  0.10000E+01 volume  0.19183E-02 ppm1      6.071 ppm2      5.874 CV     1
 ASSI {   87}
   (( segid " 1SG" and resid 46   and name HH2 ))
   (( segid " 1SG" and resid 46   and name HZ2 ))
      2.800     1.000     1.000 peak    87 spectrum    1 weight  0.10000E+01 volume  0.16206E-02 ppm1      7.111 ppm2      7.374 CV     1
 ASSI {  102}
   (  segid " 1SG" and resid 87   and name HE% )
   (  segid " 1SG" and resid 102  and name HD% )
      2.900     2.900     3.100 peak   102 spectrum    1 weight  0.10000E+01 volume  0.13244E-02 ppm1      6.552 ppm2      6.764 CV     1
 ASSI {  104}
   (( segid " 1SG" and resid 46   and name HD1 ))
   (( segid " 1SG" and resid 46   and name HB2 ))
      2.100     2.100     3.900 peak   104 spectrum    1 weight  0.10000E+01 volume  0.68800E-02 ppm1      7.109 ppm2      3.051 CV     1
 ASSI {  109}
   (  segid " 1SG" and resid 87   and name HD% )
   (  segid " 1SG" and resid 87   and name HE% )
      2.600     0.800     0.800 peak   109 spectrum    1 weight  0.10000E+01 volume  0.12271E-02 ppm1      6.767 ppm2      6.573 CV     1
 ASSI {  120}
   (  segid " 1SG" and resid 102  and name HD% )
   (  segid " 1SG" and resid 102  and name HE% )
      2.100     0.500     0.500 peak   120 spectrum    1 weight  0.10000E+01 volume  0.68800E-02 ppm1      6.778 ppm2      7.092 CV     1
 ASSI {  125}
   (( segid " 1SG" and resid 56   and name HE1 ))
   (( segid " 1SG" and resid 57   and name HG  ))
      3.200     1.300     1.300 peak   125 spectrum    1 weight  0.10000E+01 volume  0.10396E-02 ppm1      7.630 ppm2      0.738 CV     1
 ASSI {  168}
   (  segid " 1SG" and resid 83   and name HD% )
   (( segid " 1SG" and resid 80   and name HN  ))
      2.000     0.500     0.500 peak   168 spectrum    1 weight  0.10000E+01 volume  0.68800E-02 ppm1      7.090 ppm2      5.565 CV     1
 ASSI {  180}
   (( segid " 1SG" and resid 75   and name HE1 ))
   (( segid " 1SG" and resid 75   and name HB1 ))
      2.200     2.200     3.800 peak   180 spectrum    1 weight  0.10000E+01 volume  0.67606E-02 ppm1      8.255 ppm2      2.876 CV     1
 OR {  180}
   (( segid " 1SG" and resid 75   and name HE1 ))
   (( segid " 1SG" and resid 75   and name HB2 ))
 ASSI {  185}
   (  segid " 1SG" and resid 70   and name HE% )
   (( segid " 1SG" and resid 28   and name HB  ))
      1.800     1.800     4.200 peak   185 spectrum    1 weight  0.10000E+01 volume  0.67606E-02 ppm1      6.589 ppm2      1.945 CV     1
 ASSI {  186}
   (  segid " 1SG" and resid 83   and name HD% )
   (  segid " 1SG" and resid 47   and name HG2%)
      2.100     2.100     3.900 peak   186 spectrum    1 weight  0.10000E+01 volume  0.67606E-02 ppm1      7.088 ppm2      0.769 CV     1
 ASSI {  187}
   (  segid " 1SG" and resid 24   and name HD% )
   (  segid " 1SG" and resid 24   and name HE% )
      2.000     0.500     0.500 peak   187 spectrum    1 weight  0.10000E+01 volume  0.67606E-02 ppm1      6.951 ppm2      7.189 CV     1
 ASSI {  189}
   (  segid " 1SG" and resid 83   and name HE% )
   (( segid " 1SG" and resid 57   and name HG  ))
      1.800     1.800     4.200 peak   189 spectrum    1 weight  0.10000E+01 volume  0.67606E-02 ppm1      7.258 ppm2      0.724 CV     1
 ASSI {  190}
   (  segid " 1SG" and resid 83   and name HD% )
   (  segid " 1SG" and resid 83   and name HE% )
      2.100     0.500     0.500 peak   190 spectrum    1 weight  0.10000E+01 volume  0.67889E-02 ppm1      7.090 ppm2      7.269 CV     1
 ASSI {  192}
   (  segid " 1SG" and resid 63   and name HE% )
   (( segid " 1SG" and resid 65   and name HG1 ))
      2.100     0.600     0.600 peak   192 spectrum    1 weight  0.10000E+01 volume  0.67883E-02 ppm1      6.071 ppm2      1.670 CV     1
 OR {  192}
   (  segid " 1SG" and resid 63   and name HE% )
   (( segid " 1SG" and resid 65   and name HG2 ))
 ASSI {  195}
   (( segid " 1SG" and resid 41   and name HZ2 ))
   (( segid " 1SG" and resid 41   and name HH2 ))
      2.000     0.500     0.500 peak   195 spectrum    1 weight  0.10000E+01 volume  0.67883E-02 ppm1      7.080 ppm2      6.606 CV     1
 ASSI {    7}
   (( segid " 1SG" and resid 12   and name HE22))
   (( segid " 1SG" and resid 12   and name HE21))
      1.400     0.300     0.800 peak     7 spectrum    1 weight  0.10000E+01 volume  0.62760E-01 ppm1      6.922 ppm2      7.453 CV     1
 ASSI {   15}
   (( segid " 1SG" and resid 103  and name HD21))
   (( segid " 1SG" and resid 103  and name HD22))
      1.600     0.300     0.600 peak    15 spectrum    1 weight  0.10000E+01 volume  0.30750E-01 ppm1      7.722 ppm2      6.746 CV     1
 ASSI {   22}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 58   and name HE22))
      1.600     0.300     0.600 peak    22 spectrum    1 weight  0.10000E+01 volume  0.24230E-01 ppm1      7.438 ppm2      6.684 CV     1
 ASSI {   38}
   (( segid " 1SG" and resid 80   and name HE21))
   (( segid " 1SG" and resid 80   and name HE22))
      1.800     0.400     0.400 peak    38 spectrum    1 weight  0.10000E+01 volume  0.18170E-01 ppm1      6.985 ppm2      6.648 CV     1
 ASSI {   41}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 107  and name HA  ))
      2.000     0.500     0.500 peak    41 spectrum    1 weight  0.10000E+01 volume  0.17502E-01 ppm1      8.564 ppm2      4.843 CV     1
 ASSI {   51}
   (( segid " 1SG" and resid 66   and name HN  ))
   (  segid " 1SG" and resid 66   and name HB% )
      2.200     0.600     0.600 peak    51 spectrum    1 weight  0.10000E+01 volume  0.15650E-01 ppm1      8.106 ppm2      1.408 CV     1
 ASSI {   59}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 46   and name HD1 ))
      2.200     0.600     0.600 peak    59 spectrum    1 weight  0.10000E+01 volume  0.13688E-01 ppm1     10.116 ppm2      7.133 CV     1
 ASSI {   60}
   (( segid " 1SG" and resid 61   and name HN  ))
   (( segid " 1SG" and resid 60   and name HA  ))
      2.100     0.600     0.600 peak    60 spectrum    1 weight  0.10000E+01 volume  0.13445E-01 ppm1      8.180 ppm2      5.068 CV     1
 ASSI {   62}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 38   and name HA  ))
      2.000     0.500     0.500 peak    62 spectrum    1 weight  0.10000E+01 volume  0.13274E-01 ppm1      7.892 ppm2      3.893 CV     1
 ASSI {   64}
   (( segid " 1SG" and resid 17   and name HN  ))
   (( segid " 1SG" and resid 16   and name HA  ))
      2.200     0.600     0.600 peak    64 spectrum    1 weight  0.10000E+01 volume  0.12975E-01 ppm1      7.900 ppm2      4.580 CV     1
 ASSI {   67}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (( segid " 1SG" and resid 41   and name HD1 ))
      2.200     0.600     0.600 peak    67 spectrum    1 weight  0.10000E+01 volume  0.12472E-01 ppm1     10.780 ppm2      7.129 CV     1
 ASSI {   72}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 12   and name HA  ))
      2.200     0.600     0.600 peak    72 spectrum    1 weight  0.10000E+01 volume  0.11396E-01 ppm1      8.312 ppm2      4.679 CV     1
 ASSI {   80}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 95   and name HA  ))
      2.200     0.600     0.600 peak    80 spectrum    1 weight  0.10000E+01 volume  0.10714E-01 ppm1      7.969 ppm2      4.735 CV     1
 ASSI {   81}
   (( segid " 1SG" and resid 53   and name HN  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      2.100     0.600     0.600 peak    81 spectrum    1 weight  0.10000E+01 volume  0.10548E-01 ppm1      6.764 ppm2      1.067 CV     1
 ASSI {   84}
   (( segid " 1SG" and resid 21   and name HN  ))
   (( segid " 1SG" and resid 20   and name HA1 ))
      2.100     0.500     0.500 peak    84 spectrum    1 weight  0.10000E+01 volume  0.98921E-02 ppm1      8.170 ppm2      3.727 CV     1
 ASSI {   85}
   (( segid " 1SG" and resid 79   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      2.300     0.600     0.600 peak    85 spectrum    1 weight  0.10000E+01 volume  0.98521E-02 ppm1      8.974 ppm2      1.174 CV     1
 ASSI {   88}
   (( segid " 1SG" and resid 18   and name HN  ))
   (( segid " 1SG" and resid 17   and name HA  ))
      2.200     0.600     0.600 peak    88 spectrum    1 weight  0.10000E+01 volume  0.96890E-02 ppm1      8.005 ppm2      4.728 CV     1
 ASSI {   95}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 53   and name HA  ))
      2.100     0.500     0.500 peak    95 spectrum    1 weight  0.10000E+01 volume  0.90036E-02 ppm1      9.019 ppm2      4.049 CV     1
 ASSI {  102}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 93   and name HA  ))
      2.800     2.800     3.200 peak   102 spectrum    1 weight  0.10000E+01 volume  0.87980E-02 ppm1      7.511 ppm2      4.762 CV     1
 ASSI {  111}
   (( segid " 1SG" and resid 93   and name HN  ))
   (( segid " 1SG" and resid 92   and name HA  ))
      2.300     0.600     0.600 peak   111 spectrum    1 weight  0.10000E+01 volume  0.83267E-02 ppm1      8.557 ppm2      5.243 CV     1
 ASSI {  112}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 58   and name HA  ))
      2.100     0.500     0.500 peak   112 spectrum    1 weight  0.10000E+01 volume  0.82738E-02 ppm1      8.381 ppm2      4.632 CV     1
 ASSI {  114}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 64   and name HA  ))
      2.300     0.600     0.600 peak   114 spectrum    1 weight  0.10000E+01 volume  0.80604E-02 ppm1      8.306 ppm2      4.576 CV     1
 ASSI {  116}
   (( segid " 1SG" and resid 48   and name HN  ))
   (( segid " 1SG" and resid 47   and name HA  ))
      2.300     0.600     0.600 peak   116 spectrum    1 weight  0.10000E+01 volume  0.79276E-02 ppm1      8.397 ppm2      4.057 CV     1
 ASSI {  117}
   (( segid " 1SG" and resid 21   and name HN  ))
   (( segid " 1SG" and resid 20   and name HA2 ))
      2.900     1.100     1.100 peak   117 spectrum    1 weight  0.10000E+01 volume  0.79263E-02 ppm1      8.169 ppm2      4.378 CV     1
 ASSI {  120}
   (( segid " 1SG" and resid 23   and name HN  ))
   (( segid " 1SG" and resid 22   and name HA  ))
      2.200     0.600     0.600 peak   120 spectrum    1 weight  0.10000E+01 volume  0.78631E-02 ppm1      7.914 ppm2      4.342 CV     1
 ASSI {  122}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 59   and name HA  ))
      2.200     0.600     0.600 peak   122 spectrum    1 weight  0.10000E+01 volume  0.78193E-02 ppm1      8.687 ppm2      5.184 CV     1
 ASSI {  123}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 21   and name HA  ))
      2.100     0.500     0.500 peak   123 spectrum    1 weight  0.10000E+01 volume  0.77606E-02 ppm1      8.888 ppm2      5.491 CV     1
 ASSI {  125}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 57   and name HA  ))
      2.000     0.500     0.500 peak   125 spectrum    1 weight  0.10000E+01 volume  0.77116E-02 ppm1      8.940 ppm2      5.399 CV     1
 ASSI {  126}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 61   and name HA  ))
      2.200     0.600     0.600 peak   126 spectrum    1 weight  0.10000E+01 volume  0.76910E-02 ppm1      8.849 ppm2      5.560 CV     1
 ASSI {  128}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 53   and name HB  ))
      2.400     0.700     0.700 peak   128 spectrum    1 weight  0.10000E+01 volume  0.76168E-02 ppm1      6.764 ppm2      2.128 CV     1
 ASSI {  130}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 4    and name HB  ))
      2.100     0.600     0.600 peak   130 spectrum    1 weight  0.10000E+01 volume  0.75195E-02 ppm1      8.264 ppm2      2.024 CV     1
 ASSI {  133}
   (( segid " 1SG" and resid 77   and name HN  ))
   (( segid " 1SG" and resid 76   and name HA  ))
      2.200     0.600     0.600 peak   133 spectrum    1 weight  0.10000E+01 volume  0.73789E-02 ppm1      8.717 ppm2      4.983 CV     1
 ASSI {  135}
   (( segid " 1SG" and resid 85   and name HN  ))
   (( segid " 1SG" and resid 84   and name HA  ))
      2.300     0.700     0.700 peak   135 spectrum    1 weight  0.10000E+01 volume  0.73312E-02 ppm1      9.407 ppm2      4.227 CV     1
 ASSI {  137}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 66   and name HA  ))
      2.500     0.800     0.800 peak   137 spectrum    1 weight  0.10000E+01 volume  0.73125E-02 ppm1      8.106 ppm2      4.123 CV     1
 ASSI {  140}
   (( segid " 1SG" and resid 29   and name HN  ))
   (  segid " 1SG" and resid 29   and name HB% )
      2.400     0.700     0.700 peak   140 spectrum    1 weight  0.10000E+01 volume  0.70933E-02 ppm1      8.854 ppm2      1.508 CV     1
 ASSI {  142}
   (( segid " 1SG" and resid 47   and name HN  ))
   (  segid " 1SG" and resid 47   and name HG1%)
      2.900     1.100     1.100 peak   142 spectrum    1 weight  0.10000E+01 volume  0.70649E-02 ppm1      7.291 ppm2      0.977 CV     1
 ASSI {  145}
   (( segid " 1SG" and resid 18   and name HN  ))
   (  segid " 1SG" and resid 18   and name HG2%)
      2.400     0.700     0.700 peak   145 spectrum    1 weight  0.10000E+01 volume  0.70017E-02 ppm1      8.005 ppm2      0.939 CV     1
 ASSI {  147}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 96   and name HA  ))
      2.300     0.600     0.600 peak   147 spectrum    1 weight  0.10000E+01 volume  0.69650E-02 ppm1      8.065 ppm2      4.772 CV     1
 ASSI {  148}
   (( segid " 1SG" and resid 12   and name HE21))
   (( segid " 1SG" and resid 12   and name HG2 ))
      2.400     0.700     0.700 peak   148 spectrum    1 weight  0.10000E+01 volume  0.69386E-02 ppm1      7.451 ppm2      2.471 CV     1
 OR {  148}
   (( segid " 1SG" and resid 12   and name HE21))
   (( segid " 1SG" and resid 12   and name HG1 ))
 ASSI {  150}
   (( segid " 1SG" and resid 101  and name HD22))
   (( segid " 1SG" and resid 12   and name HE21))
      2.100     2.100     3.900 peak   150 spectrum    1 weight  0.10000E+01 volume  0.68973E-02 ppm1      6.723 ppm2      7.459 CV     1
 ASSI {  152}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 108  and name HB2 ))
      2.400     0.700     0.700 peak   152 spectrum    1 weight  0.10000E+01 volume  0.68683E-02 ppm1      8.564 ppm2      1.911 CV     1
 ASSI {  155}
   (( segid " 1SG" and resid 19   and name HN  ))
   (( segid " 1SG" and resid 18   and name HA  ))
      2.100     0.600     0.600 peak   155 spectrum    1 weight  0.10000E+01 volume  0.67232E-02 ppm1      9.827 ppm2      3.479 CV     1
 ASSI {  156}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 14   and name HA2 ))
      2.300     0.700     0.700 peak   156 spectrum    1 weight  0.10000E+01 volume  0.66832E-02 ppm1      8.504 ppm2      4.931 CV     1
 ASSI {  159}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 78   and name HA  ))
      2.300     0.700     0.700 peak   159 spectrum    1 weight  0.10000E+01 volume  0.65794E-02 ppm1      8.974 ppm2      4.103 CV     1
 ASSI {  160}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 39   and name HA  ))
      2.100     0.500     0.500 peak   160 spectrum    1 weight  0.10000E+01 volume  0.64234E-02 ppm1      8.694 ppm2      4.799 CV     1
 ASSI {  161}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 37   and name HA  ))
      2.200     0.600     0.600 peak   161 spectrum    1 weight  0.10000E+01 volume  0.63797E-02 ppm1      8.374 ppm2      4.490 CV     1
 ASSI {  164}
   (( segid " 1SG" and resid 29   and name HN  ))
   (( segid " 1SG" and resid 28   and name HA  ))
      2.200     0.600     0.600 peak   164 spectrum    1 weight  0.10000E+01 volume  0.63155E-02 ppm1      8.854 ppm2      4.898 CV     1
 ASSI {  166}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 1    and name HA  ))
      2.300     0.700     0.700 peak   166 spectrum    1 weight  0.10000E+01 volume  0.62179E-02 ppm1      8.116 ppm2      4.614 CV     1
 ASSI {  167}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 24   and name HA  ))
      2.500     0.800     0.800 peak   167 spectrum    1 weight  0.10000E+01 volume  0.61694E-02 ppm1      8.399 ppm2      4.620 CV     1
 ASSI {  169}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 40   and name HA  ))
      2.200     0.600     0.600 peak   169 spectrum    1 weight  0.10000E+01 volume  0.61482E-02 ppm1      9.308 ppm2      4.547 CV     1
 ASSI {  170}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 107  and name HB2 ))
      3.200     1.300     1.300 peak   170 spectrum    1 weight  0.10000E+01 volume  0.61065E-02 ppm1      8.564 ppm2      3.074 CV     1
 OR {  170}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 107  and name HB1 ))
 ASSI {  175}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 23   and name HA  ))
      2.300     0.700     0.700 peak   175 spectrum    1 weight  0.10000E+01 volume  0.59857E-02 ppm1      9.240 ppm2      5.100 CV     1
 ASSI {  176}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 91   and name HA  ))
      2.300     0.600     0.600 peak   176 spectrum    1 weight  0.10000E+01 volume  0.59427E-02 ppm1      8.734 ppm2      4.747 CV     1
 ASSI {  177}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 78   and name HA  ))
      2.300     0.600     0.600 peak   177 spectrum    1 weight  0.10000E+01 volume  0.58407E-02 ppm1      8.053 ppm2      4.102 CV     1
 ASSI {  179}
   (( segid " 1SG" and resid 67   and name HN  ))
   (  segid " 1SG" and resid 66   and name HB% )
      2.700     0.900     0.900 peak   179 spectrum    1 weight  0.10000E+01 volume  0.58323E-02 ppm1      7.421 ppm2      1.408 CV     1
 ASSI {  180}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 3    and name HA  ))
      2.400     0.700     0.700 peak   180 spectrum    1 weight  0.10000E+01 volume  0.57784E-02 ppm1      8.264 ppm2      4.443 CV     1
 ASSI {  181}
   (( segid " 1SG" and resid 101  and name HD21))
   (( segid " 1SG" and resid 101  and name HD22))
      2.100     0.500     0.500 peak   181 spectrum    1 weight  0.10000E+01 volume  0.57622E-02 ppm1      7.438 ppm2      6.719 CV     1
 ASSI {  184}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 108  and name HA  ))
      2.500     0.800     0.800 peak   184 spectrum    1 weight  0.10000E+01 volume  0.56406E-02 ppm1      8.564 ppm2      4.141 CV     1
 ASSI {  186}
   (( segid " 1SG" and resid 30   and name HN  ))
   (( segid " 1SG" and resid 29   and name HA  ))
      2.200     0.600     0.600 peak   186 spectrum    1 weight  0.10000E+01 volume  0.55895E-02 ppm1      8.591 ppm2      4.384 CV     1
 ASSI {  189}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 77   and name HA  ))
      2.200     0.600     0.600 peak   189 spectrum    1 weight  0.10000E+01 volume  0.54768E-02 ppm1      8.053 ppm2      4.655 CV     1
 ASSI {  191}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 20   and name HA1 ))
      2.400     0.700     0.700 peak   191 spectrum    1 weight  0.10000E+01 volume  0.53911E-02 ppm1      8.825 ppm2      3.727 CV     1
 ASSI {  192}
   (( segid " 1SG" and resid 68   and name HN  ))
   (( segid " 1SG" and resid 68   and name HA  ))
      2.300     0.700     0.700 peak   192 spectrum    1 weight  0.10000E+01 volume  0.53643E-02 ppm1      7.877 ppm2      3.593 CV     1
 ASSI {  193}
   (( segid " 1SG" and resid 17   and name HN  ))
   (( segid " 1SG" and resid 17   and name HB  ))
      2.600     0.800     0.800 peak   193 spectrum    1 weight  0.10000E+01 volume  0.53498E-02 ppm1      7.899 ppm2      4.062 CV     1
 ASSI {  194}
   (( segid " 1SG" and resid 69   and name HN  ))
   (  segid " 1SG" and resid 69   and name HG2%)
      2.600     0.800     0.800 peak   194 spectrum    1 weight  0.10000E+01 volume  0.53420E-02 ppm1      6.899 ppm2      0.850 CV     1
 OR {  194}
   (( segid " 1SG" and resid 69   and name HN  ))
   (  segid " 1SG" and resid 69   and name HG1%)
 ASSI {  197}
   (( segid " 1SG" and resid 39   and name HN  ))
   (  segid " 1SG" and resid 38   and name HG2%)
      3.500     1.500     1.500 peak   197 spectrum    1 weight  0.10000E+01 volume  0.52866E-02 ppm1      7.892 ppm2      0.789 CV     1
 ASSI {  198}
   (( segid " 1SG" and resid 63   and name HN  ))
   (( segid " 1SG" and resid 62   and name HA  ))
      2.500     0.800     0.800 peak   198 spectrum    1 weight  0.10000E+01 volume  0.52442E-02 ppm1      8.517 ppm2      4.602 CV     1
 ASSI {  199}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 13   and name HA  ))
      2.700     0.900     0.900 peak   199 spectrum    1 weight  0.10000E+01 volume  0.52260E-02 ppm1      9.183 ppm2      5.338 CV     1
 ASSI {  200}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 72   and name HA  ))
      2.300     0.700     0.700 peak   200 spectrum    1 weight  0.10000E+01 volume  0.52007E-02 ppm1      9.450 ppm2      5.366 CV     1
 ASSI {  201}
   (( segid " 1SG" and resid 12   and name HN  ))
   (( segid " 1SG" and resid 11   and name HA  ))
      2.500     0.800     0.800 peak   201 spectrum    1 weight  0.10000E+01 volume  0.51961E-02 ppm1      8.345 ppm2      4.804 CV     1
 ASSI {  202}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 46   and name HZ2 ))
      2.700     0.900     0.900 peak   202 spectrum    1 weight  0.10000E+01 volume  0.51918E-02 ppm1     10.116 ppm2      7.380 CV     1
 ASSI {  203}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 52   and name HN  ))
      2.500     0.800     0.800 peak   203 spectrum    1 weight  0.10000E+01 volume  0.51673E-02 ppm1      6.764 ppm2      7.787 CV     1
 ASSI {  204}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 20   and name HA2 ))
      2.800     1.000     1.000 peak   204 spectrum    1 weight  0.10000E+01 volume  0.51467E-02 ppm1      8.825 ppm2      4.373 CV     1
 ASSI {  206}
   (( segid " 1SG" and resid 26   and name HN  ))
   (( segid " 1SG" and resid 25   and name HA  ))
      2.300     0.700     0.700 peak   206 spectrum    1 weight  0.10000E+01 volume  0.50493E-02 ppm1      9.497 ppm2      5.685 CV     1
 ASSI {  208}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 105  and name HA  ))
      2.300     0.700     0.700 peak   208 spectrum    1 weight  0.10000E+01 volume  0.50290E-02 ppm1      8.151 ppm2      4.533 CV     1
 ASSI {  211}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 14   and name HA1 ))
      2.900     1.100     1.100 peak   211 spectrum    1 weight  0.10000E+01 volume  0.49996E-02 ppm1      8.504 ppm2      3.743 CV     1
 ASSI {  212}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HB1 ))
      2.600     0.900     0.900 peak   212 spectrum    1 weight  0.10000E+01 volume  0.49951E-02 ppm1      8.305 ppm2      1.753 CV     1
 OR {  212}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HB2 ))
 ASSI {  216}
   (( segid " 1SG" and resid 12   and name HE22))
   (( segid " 1SG" and resid 12   and name HG2 ))
      3.300     1.400     1.400 peak   216 spectrum    1 weight  0.10000E+01 volume  0.49520E-02 ppm1      6.922 ppm2      2.472 CV     1
 OR {  216}
   (( segid " 1SG" and resid 12   and name HE22))
   (( segid " 1SG" and resid 12   and name HG1 ))
 ASSI {  217}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 76   and name HG12))
      3.400     3.400     2.600 peak   217 spectrum    1 weight  0.10000E+01 volume  0.49344E-02 ppm1      9.019 ppm2      1.097 CV     1
 ASSI {  218}
   (( segid " 1SG" and resid 16   and name HN  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      2.600     0.900     0.900 peak   218 spectrum    1 weight  0.10000E+01 volume  0.49274E-02 ppm1      8.593 ppm2      0.602 CV     1
 ASSI {  219}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 67   and name HN  ))
      2.400     0.700     0.700 peak   219 spectrum    1 weight  0.10000E+01 volume  0.49119E-02 ppm1      8.106 ppm2      7.421 CV     1
 ASSI {  220}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 2    and name HB2 ))
      2.500     0.800     0.800 peak   220 spectrum    1 weight  0.10000E+01 volume  0.48569E-02 ppm1      8.116 ppm2      2.658 CV     1
 ASSI {  221}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 39   and name HB  ))
      2.600     0.800     0.800 peak   221 spectrum    1 weight  0.10000E+01 volume  0.47776E-02 ppm1      7.890 ppm2      0.582 CV     1
 ASSI {  222}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 35   and name HA  ))
      2.500     0.800     0.800 peak   222 spectrum    1 weight  0.10000E+01 volume  0.47417E-02 ppm1      7.511 ppm2      4.664 CV     1
 ASSI {  223}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 74   and name HA  ))
      2.300     0.600     0.600 peak   223 spectrum    1 weight  0.10000E+01 volume  0.47346E-02 ppm1      9.151 ppm2      4.330 CV     1
 ASSI {  228}
   (( segid " 1SG" and resid 15   and name HN  ))
   (  segid " 1SG" and resid 22   and name HD1%)
      3.200     1.300     1.300 peak   228 spectrum    1 weight  0.10000E+01 volume  0.46018E-02 ppm1      8.505 ppm2      0.527 CV     1
 ASSI {  229}
   (( segid " 1SG" and resid 85   and name HN  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      3.100     1.200     1.200 peak   229 spectrum    1 weight  0.10000E+01 volume  0.45879E-02 ppm1      9.407 ppm2      1.494 CV     1
 ASSI {  230}
   (( segid " 1SG" and resid 22   and name HN  ))
   (  segid " 1SG" and resid 22   and name HG2%)
      2.500     0.800     0.800 peak   230 spectrum    1 weight  0.10000E+01 volume  0.45616E-02 ppm1      8.888 ppm2      0.583 CV     1
 ASSI {  231}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 68   and name HN  ))
      2.200     0.600     0.600 peak   231 spectrum    1 weight  0.10000E+01 volume  0.45374E-02 ppm1      7.422 ppm2      7.877 CV     1
 ASSI {  232}
   (( segid " 1SG" and resid 38   and name HN  ))
   (  segid " 1SG" and resid 38   and name HG1%)
      3.300     1.300     1.300 peak   232 spectrum    1 weight  0.10000E+01 volume  0.45325E-02 ppm1      8.373 ppm2      0.842 CV     1
 ASSI {  235}
   (( segid " 1SG" and resid 18   and name HN  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      2.700     0.900     0.900 peak   235 spectrum    1 weight  0.10000E+01 volume  0.44689E-02 ppm1      8.004 ppm2      1.281 CV     1
 ASSI {  236}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 108  and name HG1 ))
      3.400     1.500     1.500 peak   236 spectrum    1 weight  0.10000E+01 volume  0.44609E-02 ppm1      8.564 ppm2      2.233 CV     1
 OR {  236}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 108  and name HG2 ))
 ASSI {  240}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 26   and name HA  ))
      2.500     0.800     0.800 peak   240 spectrum    1 weight  0.10000E+01 volume  0.43564E-02 ppm1      8.891 ppm2      4.916 CV     1
 ASSI {  243}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 47   and name HB  ))
      2.600     0.800     0.800 peak   243 spectrum    1 weight  0.10000E+01 volume  0.43057E-02 ppm1      7.291 ppm2      2.508 CV     1
 ASSI {  244}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 13   and name HB2 ))
      2.800     1.000     1.000 peak   244 spectrum    1 weight  0.10000E+01 volume  0.42991E-02 ppm1      8.312 ppm2      2.683 CV     1
 ASSI {  245}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      2.900     1.100     1.100 peak   245 spectrum    1 weight  0.10000E+01 volume  0.42730E-02 ppm1      7.198 ppm2      1.453 CV     1
 ASSI {  246}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 103  and name HA  ))
      2.400     0.700     0.700 peak   246 spectrum    1 weight  0.10000E+01 volume  0.42722E-02 ppm1      8.793 ppm2      5.542 CV     1
 ASSI {  247}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 98   and name HA  ))
      2.700     0.900     0.900 peak   247 spectrum    1 weight  0.10000E+01 volume  0.42711E-02 ppm1      9.228 ppm2      4.702 CV     1
 ASSI {  248}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 38   and name HB  ))
      2.800     1.000     1.000 peak   248 spectrum    1 weight  0.10000E+01 volume  0.42641E-02 ppm1      8.373 ppm2      1.890 CV     1
 ASSI {  250}
   (( segid " 1SG" and resid 70   and name HN  ))
   (( segid " 1SG" and resid 69   and name HA  ))
      2.400     0.700     0.700 peak   250 spectrum    1 weight  0.10000E+01 volume  0.41865E-02 ppm1      9.273 ppm2      4.579 CV     1
 ASSI {  251}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 84   and name HN  ))
      2.500     0.800     0.800 peak   251 spectrum    1 weight  0.10000E+01 volume  0.41793E-02 ppm1      8.255 ppm2      7.866 CV     1
 ASSI {  253}
   (( segid " 1SG" and resid 10   and name HN  ))
   (( segid " 1SG" and resid 9    and name HA  ))
      2.600     0.800     0.800 peak   253 spectrum    1 weight  0.10000E+01 volume  0.41321E-02 ppm1      8.853 ppm2      4.646 CV     1
 ASSI {  256}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 102  and name HA  ))
      2.500     0.800     0.800 peak   256 spectrum    1 weight  0.10000E+01 volume  0.41023E-02 ppm1      9.243 ppm2      4.989 CV     1
 ASSI {  259}
   (( segid " 1SG" and resid 23   and name HN  ))
   (( segid " 1SG" and resid 23   and name HB  ))
      2.600     0.900     0.900 peak   259 spectrum    1 weight  0.10000E+01 volume  0.40127E-02 ppm1      7.914 ppm2      3.583 CV     1
 ASSI {  265}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 35   and name HG1 ))
      2.500     0.800     0.800 peak   265 spectrum    1 weight  0.10000E+01 volume  0.38859E-02 ppm1      7.511 ppm2      1.348 CV     1
 OR {  265}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 35   and name HG2 ))
 ASSI {  266}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 79   and name HA  ))
      2.700     0.900     0.900 peak   266 spectrum    1 weight  0.10000E+01 volume  0.38395E-02 ppm1      8.973 ppm2      3.661 CV     1
 ASSI {  267}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HG2 ))
      2.900     1.100     1.100 peak   267 spectrum    1 weight  0.10000E+01 volume  0.38267E-02 ppm1      8.306 ppm2      1.685 CV     1
 OR {  267}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HG1 ))
 ASSI {  268}
   (( segid " 1SG" and resid 72   and name HN  ))
   (( segid " 1SG" and resid 71   and name HA  ))
      2.200     0.600     0.600 peak   268 spectrum    1 weight  0.10000E+01 volume  0.38123E-02 ppm1      9.295 ppm2      5.062 CV     1
 ASSI {  269}
   (( segid " 1SG" and resid 17   and name HN  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      3.200     1.300     1.300 peak   269 spectrum    1 weight  0.10000E+01 volume  0.38060E-02 ppm1      7.900 ppm2      1.280 CV     1
 ASSI {  270}
   (( segid " 1SG" and resid 29   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG2%)
      2.600     0.900     0.900 peak   270 spectrum    1 weight  0.10000E+01 volume  0.37937E-02 ppm1      8.855 ppm2      0.945 CV     1
 OR {  270}
   (( segid " 1SG" and resid 29   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG1%)
 ASSI {  271}
   (( segid " 1SG" and resid 94   and name HN  ))
   (( segid " 1SG" and resid 93   and name HA  ))
      2.600     0.800     0.800 peak   271 spectrum    1 weight  0.10000E+01 volume  0.37892E-02 ppm1      8.339 ppm2      4.764 CV     1
 ASSI {  272}
   (( segid " 1SG" and resid 93   and name HN  ))
   (( segid " 1SG" and resid 92   and name HB2 ))
      3.500     1.500     1.500 peak   272 spectrum    1 weight  0.10000E+01 volume  0.37768E-02 ppm1      8.558 ppm2      3.937 CV     1
 OR {  272}
   (( segid " 1SG" and resid 93   and name HN  ))
   (( segid " 1SG" and resid 92   and name HB1 ))
 ASSI {  273}
   (( segid " 1SG" and resid 77   and name HN  ))
   (  segid " 1SG" and resid 76   and name HG2%)
      3.000     1.100     1.100 peak   273 spectrum    1 weight  0.10000E+01 volume  0.36970E-02 ppm1      8.717 ppm2      0.785 CV     1
 ASSI {  274}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 95   and name HN  ))
      2.000     0.500     0.500 peak   274 spectrum    1 weight  0.10000E+01 volume  0.36805E-02 ppm1      7.549 ppm2      7.973 CV     1
 ASSI {  275}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB2 ))
      2.500     0.800     0.800 peak   275 spectrum    1 weight  0.10000E+01 volume  0.36679E-02 ppm1      8.381 ppm2      1.692 CV     1
 OR {  275}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB1 ))
 ASSI {  276}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 96   and name HB2 ))
      3.700     3.700     2.300 peak   276 spectrum    1 weight  0.10000E+01 volume  0.36436E-02 ppm1      8.263 ppm2      1.571 CV     1
 ASSI {  278}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 5    and name HN  ))
      2.500     0.800     0.800 peak   278 spectrum    1 weight  0.10000E+01 volume  0.36269E-02 ppm1      8.263 ppm2      8.143 CV     1
 ASSI {  279}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 68   and name HN  ))
      2.700     0.900     0.900 peak   279 spectrum    1 weight  0.10000E+01 volume  0.36168E-02 ppm1      6.899 ppm2      7.876 CV     1
 ASSI {  281}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 104  and name HA  ))
      2.500     0.800     0.800 peak   281 spectrum    1 weight  0.10000E+01 volume  0.36078E-02 ppm1      8.399 ppm2      5.431 CV     1
 ASSI {  285}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 4    and name HA  ))
      2.700     0.900     0.900 peak   285 spectrum    1 weight  0.10000E+01 volume  0.35822E-02 ppm1      8.264 ppm2      4.015 CV     1
 ASSI {  287}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 78   and name HN  ))
      2.800     1.000     1.000 peak   287 spectrum    1 weight  0.10000E+01 volume  0.35181E-02 ppm1      8.974 ppm2      8.055 CV     1
 ASSI {  288}
   (( segid " 1SG" and resid 86   and name HN  ))
   (( segid " 1SG" and resid 85   and name HA2 ))
      2.800     1.000     1.000 peak   288 spectrum    1 weight  0.10000E+01 volume  0.35145E-02 ppm1      7.948 ppm2      4.508 CV     1
 ASSI {  290}
   (( segid " 1SG" and resid 48   and name HN  ))
   (( segid " 1SG" and resid 48   and name HB2 ))
      2.800     1.000     1.000 peak   290 spectrum    1 weight  0.10000E+01 volume  0.34857E-02 ppm1      8.397 ppm2      2.936 CV     1
 ASSI {  294}
   (( segid " 1SG" and resid 98   and name HN  ))
   (( segid " 1SG" and resid 97   and name HA  ))
      2.700     0.900     0.900 peak   294 spectrum    1 weight  0.10000E+01 volume  0.34374E-02 ppm1      8.417 ppm2      5.247 CV     1
 ASSI {  295}
   (( segid " 1SG" and resid 86   and name HN  ))
   (( segid " 1SG" and resid 85   and name HA1 ))
      2.700     0.900     0.900 peak   295 spectrum    1 weight  0.10000E+01 volume  0.34366E-02 ppm1      7.948 ppm2      3.928 CV     1
 ASSI {  297}
   (( segid " 1SG" and resid 19   and name HN  ))
   (( segid " 1SG" and resid 19   and name HA1 ))
      2.900     1.100     1.100 peak   297 spectrum    1 weight  0.10000E+01 volume  0.33969E-02 ppm1      9.829 ppm2      4.250 CV     1
 ASSI {  298}
   (( segid " 1SG" and resid 19   and name HN  ))
   (  segid " 1SG" and resid 18   and name HG1%)
      3.100     1.200     1.200 peak   298 spectrum    1 weight  0.10000E+01 volume  0.33962E-02 ppm1      9.828 ppm2      0.981 CV     1
 ASSI {  299}
   (( segid " 1SG" and resid 70   and name HN  ))
   (  segid " 1SG" and resid 69   and name HG1%)
      3.000     1.100     1.100 peak   299 spectrum    1 weight  0.10000E+01 volume  0.33602E-02 ppm1      9.273 ppm2      0.839 CV     1
 ASSI {  300}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 27   and name HA  ))
      2.500     0.800     0.800 peak   300 spectrum    1 weight  0.10000E+01 volume  0.33437E-02 ppm1      9.673 ppm2      5.831 CV     1
 ASSI {  302}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 53   and name HA  ))
      2.400     0.700     0.700 peak   302 spectrum    1 weight  0.10000E+01 volume  0.33411E-02 ppm1      6.765 ppm2      4.049 CV     1
 ASSI {  303}
   (( segid " 1SG" and resid 84   and name HN  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      3.400     1.500     1.500 peak   303 spectrum    1 weight  0.10000E+01 volume  0.33264E-02 ppm1      7.866 ppm2      1.494 CV     1
 ASSI {  305}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 51   and name HN  ))
      2.600     0.800     0.800 peak   305 spectrum    1 weight  0.10000E+01 volume  0.33112E-02 ppm1      7.784 ppm2      7.881 CV     1
 ASSI {  306}
   (( segid " 1SG" and resid 24   and name HN  ))
   (  segid " 1SG" and resid 23   and name HG2%)
      2.900     1.100     1.100 peak   306 spectrum    1 weight  0.10000E+01 volume  0.32993E-02 ppm1      9.240 ppm2      0.769 CV     1
 ASSI {  307}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 34   and name HA  ))
      2.900     1.100     1.100 peak   307 spectrum    1 weight  0.10000E+01 volume  0.32911E-02 ppm1      7.511 ppm2      4.289 CV     1
 ASSI {  308}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 2    and name HA  ))
      2.700     0.900     0.900 peak   308 spectrum    1 weight  0.10000E+01 volume  0.32890E-02 ppm1      8.115 ppm2      4.899 CV     1
 ASSI {  309}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 68   and name HA  ))
      2.700     0.900     0.900 peak   309 spectrum    1 weight  0.10000E+01 volume  0.32884E-02 ppm1      6.899 ppm2      3.593 CV     1
 ASSI {  310}
   (( segid " 1SG" and resid 90   and name HN  ))
   (( segid " 1SG" and resid 89   and name HA  ))
      2.600     0.900     0.900 peak   310 spectrum    1 weight  0.10000E+01 volume  0.32814E-02 ppm1      9.489 ppm2      4.946 CV     1
 ASSI {  311}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (  segid " 1SG" and resid 39   and name HG1%)
      2.900     1.000     1.000 peak   311 spectrum    1 weight  0.10000E+01 volume  0.32812E-02 ppm1     10.780 ppm2     -0.081 CV     1
 ASSI {  312}
   (( segid " 1SG" and resid 93   and name HN  ))
   (( segid " 1SG" and resid 93   and name HA  ))
      2.800     1.000     1.000 peak   312 spectrum    1 weight  0.10000E+01 volume  0.32664E-02 ppm1      8.558 ppm2      4.778 CV     1
 ASSI {  314}
   (( segid " 1SG" and resid 72   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD1%)
      2.700     0.900     0.900 peak   314 spectrum    1 weight  0.10000E+01 volume  0.32396E-02 ppm1      9.295 ppm2      0.842 CV     1
 ASSI {  315}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 67   and name HA  ))
      2.800     1.000     1.000 peak   315 spectrum    1 weight  0.10000E+01 volume  0.32010E-02 ppm1      7.421 ppm2      4.297 CV     1
 ASSI {  316}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 83   and name HA  ))
      2.700     0.900     0.900 peak   316 spectrum    1 weight  0.10000E+01 volume  0.31925E-02 ppm1      8.255 ppm2      4.603 CV     1
 ASSI {  318}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      3.500     1.500     1.500 peak   318 spectrum    1 weight  0.10000E+01 volume  0.31716E-02 ppm1      8.940 ppm2      1.448 CV     1
 ASSI {  319}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 48   and name HA  ))
      2.500     0.800     0.800 peak   319 spectrum    1 weight  0.10000E+01 volume  0.31699E-02 ppm1      9.288 ppm2      4.192 CV     1
 ASSI {  320}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 58   and name HB2 ))
      3.300     1.400     1.400 peak   320 spectrum    1 weight  0.10000E+01 volume  0.31677E-02 ppm1      7.438 ppm2      2.396 CV     1
 OR {  320}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 58   and name HB1 ))
 ASSI {  321}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 73   and name HA  ))
      2.500     0.800     0.800 peak   321 spectrum    1 weight  0.10000E+01 volume  0.31674E-02 ppm1      8.470 ppm2      5.470 CV     1
 ASSI {  322}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 52   and name HA  ))
      2.800     1.000     1.000 peak   322 spectrum    1 weight  0.10000E+01 volume  0.31665E-02 ppm1      7.785 ppm2      4.613 CV     1
 ASSI {  323}
   (( segid " 1SG" and resid 40   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG1%)
      2.900     1.100     1.100 peak   323 spectrum    1 weight  0.10000E+01 volume  0.31269E-02 ppm1      8.694 ppm2     -0.080 CV     1
 ASSI {  324}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 43   and name HA  ))
      2.500     0.800     0.800 peak   324 spectrum    1 weight  0.10000E+01 volume  0.31253E-02 ppm1      8.211 ppm2      4.128 CV     1
 ASSI {  325}
   (( segid " 1SG" and resid 4    and name HN  ))
   (  segid " 1SG" and resid 4    and name HG2%)
      3.500     1.600     1.600 peak   325 spectrum    1 weight  0.10000E+01 volume  0.31129E-02 ppm1      8.264 ppm2      0.922 CV     1
 ASSI {  326}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 83   and name HB2 ))
      2.400     0.700     0.700 peak   326 spectrum    1 weight  0.10000E+01 volume  0.30964E-02 ppm1      8.255 ppm2      3.172 CV     1
 ASSI {  327}
   (( segid " 1SG" and resid 75   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD1%)
      3.600     1.600     1.600 peak   327 spectrum    1 weight  0.10000E+01 volume  0.30800E-02 ppm1      9.151 ppm2      0.400 CV     1
 OR {  327}
   (( segid " 1SG" and resid 75   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD2%)
 ASSI {  328}
   (( segid " 1SG" and resid 107  and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      2.900     1.100     1.100 peak   328 spectrum    1 weight  0.10000E+01 volume  0.30777E-02 ppm1      8.822 ppm2      0.372 CV     1
 ASSI {  329}
   (( segid " 1SG" and resid 64   and name HN  ))
   (( segid " 1SG" and resid 64   and name HB2 ))
      2.900     1.100     1.100 peak   329 spectrum    1 weight  0.10000E+01 volume  0.30774E-02 ppm1      7.752 ppm2      2.335 CV     1
 ASSI {  332}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 75   and name HB2 ))
      2.700     0.900     0.900 peak   332 spectrum    1 weight  0.10000E+01 volume  0.30287E-02 ppm1      9.150 ppm2      2.889 CV     1
 OR {  332}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 75   and name HB1 ))
 ASSI {  333}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 15   and name HB2 ))
      2.900     1.000     1.000 peak   333 spectrum    1 weight  0.10000E+01 volume  0.30242E-02 ppm1      8.504 ppm2      2.013 CV     1
 OR {  333}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 15   and name HB1 ))
 ASSI {  335}
   (( segid " 1SG" and resid 5    and name HN  ))
   (( segid " 1SG" and resid 5    and name HA2 ))
      2.700     0.900     0.900 peak   335 spectrum    1 weight  0.10000E+01 volume  0.29871E-02 ppm1      8.144 ppm2      3.857 CV     1
 OR {  335}
   (( segid " 1SG" and resid 5    and name HN  ))
   (( segid " 1SG" and resid 5    and name HA1 ))
 ASSI {  336}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (  segid " 1SG" and resid 59   and name HD2%)
      2.900     1.000     1.000 peak   336 spectrum    1 weight  0.10000E+01 volume  0.29814E-02 ppm1     10.780 ppm2      0.692 CV     1
 ASSI {  339}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 19   and name HN  ))
      2.600     0.800     0.800 peak   339 spectrum    1 weight  0.10000E+01 volume  0.29583E-02 ppm1      8.825 ppm2      9.828 CV     1
 ASSI {  340}
   (( segid " 1SG" and resid 80   and name HE21))
   (( segid " 1SG" and resid 80   and name HG1 ))
      2.800     1.000     1.000 peak   340 spectrum    1 weight  0.10000E+01 volume  0.29537E-02 ppm1      6.984 ppm2      2.164 CV     1
 OR {  340}
   (( segid " 1SG" and resid 80   and name HE21))
   (( segid " 1SG" and resid 80   and name HG2 ))
 ASSI {  342}
   (( segid " 1SG" and resid 18   and name HN  ))
   (( segid " 1SG" and resid 17   and name HB  ))
      3.000     1.200     1.200 peak   342 spectrum    1 weight  0.10000E+01 volume  0.29460E-02 ppm1      8.006 ppm2      4.061 CV     1
 ASSI {  344}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 107  and name HB1 ))
      2.800     1.000     1.000 peak   344 spectrum    1 weight  0.10000E+01 volume  0.29363E-02 ppm1      8.825 ppm2      3.076 CV     1
 OR {  344}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 107  and name HB2 ))
 ASSI {  346}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HA  ))
      2.800     1.000     1.000 peak   346 spectrum    1 weight  0.10000E+01 volume  0.29233E-02 ppm1      8.305 ppm2      3.450 CV     1
 ASSI {  348}
   (( segid " 1SG" and resid 21   and name HN  ))
   (( segid " 1SG" and resid 20   and name HN  ))
      3.500     1.500     1.500 peak   348 spectrum    1 weight  0.10000E+01 volume  0.29028E-02 ppm1      8.168 ppm2      8.828 CV     1
 ASSI {  350}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 42   and name HA  ))
      2.700     0.900     0.900 peak   350 spectrum    1 weight  0.10000E+01 volume  0.28880E-02 ppm1      8.632 ppm2      5.786 CV     1
 ASSI {  351}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 54   and name HN  ))
      2.700     0.900     0.900 peak   351 spectrum    1 weight  0.10000E+01 volume  0.28716E-02 ppm1      7.198 ppm2      9.022 CV     1
 ASSI {  352}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 15   and name HB1 ))
      3.300     1.400     1.400 peak   352 spectrum    1 weight  0.10000E+01 volume  0.28705E-02 ppm1      8.593 ppm2      2.019 CV     1
 OR {  352}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 15   and name HB2 ))
 ASSI {  353}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 4    and name HG12))
      3.500     1.600     1.600 peak   353 spectrum    1 weight  0.10000E+01 volume  0.28704E-02 ppm1      8.263 ppm2      1.225 CV     1
 ASSI {  354}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 16   and name HA  ))
      2.800     1.000     1.000 peak   354 spectrum    1 weight  0.10000E+01 volume  0.28676E-02 ppm1      8.593 ppm2      4.581 CV     1
 ASSI {  355}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 52   and name HA  ))
      3.100     1.200     1.200 peak   355 spectrum    1 weight  0.10000E+01 volume  0.28659E-02 ppm1      6.764 ppm2      4.611 CV     1
 ASSI {  356}
   (( segid " 1SG" and resid 48   and name HN  ))
   (  segid " 1SG" and resid 47   and name HG2%)
      3.600     1.600     1.600 peak   356 spectrum    1 weight  0.10000E+01 volume  0.28587E-02 ppm1      8.397 ppm2      0.779 CV     1
 ASSI {  357}
   (( segid " 1SG" and resid 23   and name HN  ))
   (( segid " 1SG" and resid 22   and name HG12))
      3.900     1.900     1.900 peak   357 spectrum    1 weight  0.10000E+01 volume  0.28564E-02 ppm1      7.913 ppm2      0.071 CV     1
 ASSI {  358}
   (( segid " 1SG" and resid 39   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG2%)
      2.800     1.000     1.000 peak   358 spectrum    1 weight  0.10000E+01 volume  0.28554E-02 ppm1      7.891 ppm2     -0.459 CV     1
 ASSI {  361}
   (( segid " 1SG" and resid 83   and name HN  ))
   (  segid " 1SG" and resid 82   and name HB% )
      3.100     1.200     1.200 peak   361 spectrum    1 weight  0.10000E+01 volume  0.28227E-02 ppm1      8.256 ppm2      1.312 CV     1
 ASSI {  362}
   (( segid " 1SG" and resid 18   and name HN  ))
   (( segid " 1SG" and resid 18   and name HA  ))
      2.700     0.900     0.900 peak   362 spectrum    1 weight  0.10000E+01 volume  0.28187E-02 ppm1      8.005 ppm2      3.479 CV     1
 ASSI {  363}
   (( segid " 1SG" and resid 47   and name HN  ))
   (  segid " 1SG" and resid 47   and name HG2%)
      2.700     0.900     0.900 peak   363 spectrum    1 weight  0.10000E+01 volume  0.27968E-02 ppm1      7.291 ppm2      0.780 CV     1
 ASSI {  364}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 65   and name HN  ))
      2.700     0.900     0.900 peak   364 spectrum    1 weight  0.10000E+01 volume  0.27916E-02 ppm1      8.106 ppm2      8.306 CV     1
 ASSI {  367}
   (( segid " 1SG" and resid 17   and name HN  ))
   (( segid " 1SG" and resid 16   and name HB  ))
      2.900     1.000     1.000 peak   367 spectrum    1 weight  0.10000E+01 volume  0.27781E-02 ppm1      7.901 ppm2      1.791 CV     1
 ASSI {  368}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 67   and name HB2 ))
      3.000     1.100     1.100 peak   368 spectrum    1 weight  0.10000E+01 volume  0.27754E-02 ppm1      7.421 ppm2      3.728 CV     1
 OR {  368}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 67   and name HB1 ))
 ASSI {  370}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 61   and name HB2 ))
      3.300     1.400     1.400 peak   370 spectrum    1 weight  0.10000E+01 volume  0.27681E-02 ppm1      8.849 ppm2      2.303 CV     1
 ASSI {  371}
   (( segid " 1SG" and resid 92   and name HN  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      3.000     1.100     1.100 peak   371 spectrum    1 weight  0.10000E+01 volume  0.27644E-02 ppm1      8.734 ppm2      0.173 CV     1
 ASSI {  372}
   (( segid " 1SG" and resid 64   and name HN  ))
   (( segid " 1SG" and resid 64   and name HA  ))
      2.800     1.000     1.000 peak   372 spectrum    1 weight  0.10000E+01 volume  0.27612E-02 ppm1      7.752 ppm2      4.579 CV     1
 ASSI {  373}
   (( segid " 1SG" and resid 64   and name HN  ))
   (  segid " 1SG" and resid 63   and name HD% )
      3.100     1.200     1.200 peak   373 spectrum    1 weight  0.10000E+01 volume  0.27509E-02 ppm1      7.752 ppm2      5.902 CV     1
 ASSI {  374}
   (( segid " 1SG" and resid 77   and name HN  ))
   (  segid " 1SG" and resid 77   and name HG2%)
      3.000     1.100     1.100 peak   374 spectrum    1 weight  0.10000E+01 volume  0.27386E-02 ppm1      8.717 ppm2      1.030 CV     1
 ASSI {  376}
   (( segid " 1SG" and resid 42   and name HN  ))
   (( segid " 1SG" and resid 41   and name HA  ))
      2.700     0.900     0.900 peak   376 spectrum    1 weight  0.10000E+01 volume  0.27311E-02 ppm1      9.447 ppm2      5.468 CV     1
 ASSI {  378}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 12   and name HB2 ))
      3.300     1.400     1.400 peak   378 spectrum    1 weight  0.10000E+01 volume  0.27227E-02 ppm1      8.312 ppm2      1.966 CV     1
 ASSI {  379}
   (( segid " 1SG" and resid 58   and name HE22))
   (( segid " 1SG" and resid 58   and name HB2 ))
      3.800     1.800     1.800 peak   379 spectrum    1 weight  0.10000E+01 volume  0.27159E-02 ppm1      6.684 ppm2      2.396 CV     1
 OR {  379}
   (( segid " 1SG" and resid 58   and name HE22))
   (( segid " 1SG" and resid 58   and name HB1 ))
 ASSI {  382}
   (( segid " 1SG" and resid 76   and name HN  ))
   (( segid " 1SG" and resid 76   and name HB  ))
      2.600     0.900     0.900 peak   382 spectrum    1 weight  0.10000E+01 volume  0.26976E-02 ppm1      8.925 ppm2      1.902 CV     1
 ASSI {  383}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 12   and name HG1 ))
      4.000     2.000     2.000 peak   383 spectrum    1 weight  0.10000E+01 volume  0.26946E-02 ppm1      8.312 ppm2      2.471 CV     1
 OR {  383}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 12   and name HG2 ))
 ASSI {  384}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 96   and name HG1 ))
      3.100     1.200     1.200 peak   384 spectrum    1 weight  0.10000E+01 volume  0.26919E-02 ppm1      7.548 ppm2      1.318 CV     1
 OR {  384}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 96   and name HG2 ))
 ASSI {  388}
   (( segid " 1SG" and resid 106  and name HN  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      3.500     1.500     1.500 peak   388 spectrum    1 weight  0.10000E+01 volume  0.26647E-02 ppm1      8.150 ppm2      1.495 CV     1
 ASSI {  389}
   (( segid " 1SG" and resid 26   and name HN  ))
   (  segid " 1SG" and resid 26   and name HB% )
      2.800     1.000     1.000 peak   389 spectrum    1 weight  0.10000E+01 volume  0.26620E-02 ppm1      9.497 ppm2      1.455 CV     1
 ASSI {  390}
   (( segid " 1SG" and resid 20   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      3.300     1.300     1.300 peak   390 spectrum    1 weight  0.10000E+01 volume  0.26587E-02 ppm1      8.825 ppm2      1.174 CV     1
 ASSI {  391}
   (( segid " 1SG" and resid 21   and name HN  ))
   (( segid " 1SG" and resid 21   and name HA  ))
      2.600     0.800     0.800 peak   391 spectrum    1 weight  0.10000E+01 volume  0.26549E-02 ppm1      8.169 ppm2      5.493 CV     1
 ASSI {  392}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 59   and name HG  ))
      3.600     1.600     1.600 peak   392 spectrum    1 weight  0.10000E+01 volume  0.26520E-02 ppm1      8.382 ppm2      1.425 CV     1
 ASSI {  393}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 57   and name HA  ))
      2.700     0.900     0.900 peak   393 spectrum    1 weight  0.10000E+01 volume  0.26520E-02 ppm1      7.198 ppm2      5.399 CV     1
 ASSI {  395}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 107  and name HA  ))
      2.700     0.900     0.900 peak   395 spectrum    1 weight  0.10000E+01 volume  0.26434E-02 ppm1      8.825 ppm2      4.841 CV     1
 ASSI {  396}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 53   and name HB  ))
      3.600     1.600     1.600 peak   396 spectrum    1 weight  0.10000E+01 volume  0.26353E-02 ppm1      9.019 ppm2      2.127 CV     1
 ASSI {  397}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 52   and name HG1 ))
      3.400     1.400     1.400 peak   397 spectrum    1 weight  0.10000E+01 volume  0.26338E-02 ppm1      7.786 ppm2      1.324 CV     1
 OR {  397}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 52   and name HG2 ))
 ASSI {  398}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 13   and name HA  ))
      2.900     1.000     1.000 peak   398 spectrum    1 weight  0.10000E+01 volume  0.26318E-02 ppm1      8.312 ppm2      5.337 CV     1
 ASSI {  399}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 44   and name HA1 ))
      2.700     0.900     0.900 peak   399 spectrum    1 weight  0.10000E+01 volume  0.26199E-02 ppm1      8.211 ppm2      3.463 CV     1
 ASSI {  401}
   (( segid " 1SG" and resid 12   and name HN  ))
   (( segid " 1SG" and resid 12   and name HG2 ))
      2.900     1.100     1.100 peak   401 spectrum    1 weight  0.10000E+01 volume  0.26062E-02 ppm1      8.346 ppm2      2.468 CV     1
 OR {  401}
   (( segid " 1SG" and resid 12   and name HN  ))
   (( segid " 1SG" and resid 12   and name HG1 ))
 ASSI {  403}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB2 ))
      3.500     1.600     1.600 peak   403 spectrum    1 weight  0.10000E+01 volume  0.25914E-02 ppm1      8.686 ppm2      1.687 CV     1
 OR {  403}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB1 ))
 ASSI {  404}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 62   and name HA  ))
      2.800     1.000     1.000 peak   404 spectrum    1 weight  0.10000E+01 volume  0.25902E-02 ppm1      8.849 ppm2      4.602 CV     1
 ASSI {  407}
   (( segid " 1SG" and resid 60   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD2%)
      3.100     1.200     1.200 peak   407 spectrum    1 weight  0.10000E+01 volume  0.25722E-02 ppm1      8.689 ppm2      0.691 CV     1
 ASSI {  408}
   (( segid " 1SG" and resid 106  and name HN  ))
   (  segid " 1SG" and resid 106  and name HG1%)
      2.600     0.800     0.800 peak   408 spectrum    1 weight  0.10000E+01 volume  0.25590E-02 ppm1      8.151 ppm2      0.679 CV     1
 ASSI {  409}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 41   and name HD1 ))
      2.800     1.000     1.000 peak   409 spectrum    1 weight  0.10000E+01 volume  0.25472E-02 ppm1      9.308 ppm2      7.130 CV     1
 ASSI {  411}
   (( segid " 1SG" and resid 51   and name HN  ))
   (( segid " 1SG" and resid 51   and name HA  ))
      3.000     1.100     1.100 peak   411 spectrum    1 weight  0.10000E+01 volume  0.25031E-02 ppm1      7.877 ppm2      4.560 CV     1
 ASSI {  413}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 15   and name HG2 ))
      3.200     1.300     1.300 peak   413 spectrum    1 weight  0.10000E+01 volume  0.24944E-02 ppm1      8.506 ppm2      2.277 CV     1
 OR {  413}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 15   and name HG1 ))
 ASSI {  415}
   (( segid " 1SG" and resid 17   and name HN  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      3.100     1.200     1.200 peak   415 spectrum    1 weight  0.10000E+01 volume  0.24939E-02 ppm1      7.900 ppm2      0.602 CV     1
 ASSI {  416}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 15   and name HA  ))
      2.800     1.000     1.000 peak   416 spectrum    1 weight  0.10000E+01 volume  0.24871E-02 ppm1      8.504 ppm2      5.491 CV     1
 ASSI {  417}
   (( segid " 1SG" and resid 103  and name HD21))
   (( segid " 1SG" and resid 103  and name HB2 ))
      2.800     1.000     1.000 peak   417 spectrum    1 weight  0.10000E+01 volume  0.24842E-02 ppm1      7.721 ppm2      2.502 CV     1
 ASSI {  421}
   (( segid " 1SG" and resid 80   and name HE22))
   (( segid " 1SG" and resid 80   and name HG1 ))
      3.600     1.600     1.600 peak   421 spectrum    1 weight  0.10000E+01 volume  0.24737E-02 ppm1      6.645 ppm2      2.164 CV     1
 OR {  421}
   (( segid " 1SG" and resid 80   and name HE22))
   (( segid " 1SG" and resid 80   and name HG2 ))
 ASSI {  422}
   (( segid " 1SG" and resid 100  and name HN  ))
   (( segid " 1SG" and resid 99   and name HA  ))
      2.800     0.900     0.900 peak   422 spectrum    1 weight  0.10000E+01 volume  0.24623E-02 ppm1      8.896 ppm2      5.700 CV     1
 ASSI {  424}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 38   and name HA  ))
      2.800     1.000     1.000 peak   424 spectrum    1 weight  0.10000E+01 volume  0.24499E-02 ppm1      8.372 ppm2      3.897 CV     1
 ASSI {  425}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 53   and name HB  ))
      3.000     1.100     1.100 peak   425 spectrum    1 weight  0.10000E+01 volume  0.24418E-02 ppm1      7.785 ppm2      2.145 CV     1
 ASSI {  426}
   (( segid " 1SG" and resid 78   and name HN  ))
   (  segid " 1SG" and resid 77   and name HG2%)
      3.900     1.900     1.900 peak   426 spectrum    1 weight  0.10000E+01 volume  0.24415E-02 ppm1      8.054 ppm2      1.025 CV     1
 ASSI {  427}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 103  and name HB2 ))
      2.800     1.000     1.000 peak   427 spectrum    1 weight  0.10000E+01 volume  0.24402E-02 ppm1      9.242 ppm2      2.501 CV     1
 ASSI {  430}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 50   and name HA  ))
      3.000     1.100     1.100 peak   430 spectrum    1 weight  0.10000E+01 volume  0.24128E-02 ppm1      8.940 ppm2      3.956 CV     1
 ASSI {  431}
   (( segid " 1SG" and resid 23   and name HN  ))
   (  segid " 1SG" and resid 22   and name HD1%)
      3.000     1.100     1.100 peak   431 spectrum    1 weight  0.10000E+01 volume  0.24099E-02 ppm1      7.912 ppm2      0.534 CV     1
 ASSI {  432}
   (( segid " 1SG" and resid 30   and name HN  ))
   (( segid " 1SG" and resid 69   and name HA  ))
      2.700     0.900     0.900 peak   432 spectrum    1 weight  0.10000E+01 volume  0.24030E-02 ppm1      8.591 ppm2      4.580 CV     1
 ASSI {  433}
   (( segid " 1SG" and resid 87   and name HN  ))
   (( segid " 1SG" and resid 86   and name HA1 ))
      3.400     1.400     1.400 peak   433 spectrum    1 weight  0.10000E+01 volume  0.23931E-02 ppm1      9.115 ppm2      3.473 CV     1
 ASSI {  434}
   (( segid " 1SG" and resid 61   and name HN  ))
   (( segid " 1SG" and resid 61   and name HA  ))
      2.800     1.000     1.000 peak   434 spectrum    1 weight  0.10000E+01 volume  0.23921E-02 ppm1      8.180 ppm2      5.560 CV     1
 ASSI {  435}
   (( segid " 1SG" and resid 87   and name HN  ))
   (( segid " 1SG" and resid 86   and name HA2 ))
      2.500     0.800     0.800 peak   435 spectrum    1 weight  0.10000E+01 volume  0.23862E-02 ppm1      9.112 ppm2      4.658 CV     1
 ASSI {  437}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 13   and name HA  ))
      2.900     1.100     1.100 peak   437 spectrum    1 weight  0.10000E+01 volume  0.23807E-02 ppm1      9.242 ppm2      5.338 CV     1
 ASSI {  439}
   (( segid " 1SG" and resid 8    and name HN  ))
   (( segid " 1SG" and resid 7    and name HA  ))
      2.800     1.000     1.000 peak   439 spectrum    1 weight  0.10000E+01 volume  0.23757E-02 ppm1      9.052 ppm2      4.631 CV     1
 ASSI {  440}
   (( segid " 1SG" and resid 86   and name HN  ))
   (( segid " 1SG" and resid 86   and name HA2 ))
      3.000     1.100     1.100 peak   440 spectrum    1 weight  0.10000E+01 volume  0.23755E-02 ppm1      7.947 ppm2      4.658 CV     1
 ASSI {  443}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 77   and name HB  ))
      2.800     1.000     1.000 peak   443 spectrum    1 weight  0.10000E+01 volume  0.23480E-02 ppm1      8.053 ppm2      4.009 CV     1
 ASSI {  446}
   (( segid " 1SG" and resid 101  and name HN  ))
   (( segid " 1SG" and resid 100  and name HA  ))
      2.700     0.900     0.900 peak   446 spectrum    1 weight  0.10000E+01 volume  0.23130E-02 ppm1      9.045 ppm2      4.660 CV     1
 ASSI {  448}
   (( segid " 1SG" and resid 63   and name HN  ))
   (( segid " 1SG" and resid 62   and name HB2 ))
      3.400     1.400     1.400 peak   448 spectrum    1 weight  0.10000E+01 volume  0.23120E-02 ppm1      8.516 ppm2      3.810 CV     1
 ASSI {  449}
   (( segid " 1SG" and resid 8    and name HN  ))
   (  segid " 1SG" and resid 8    and name HG2%)
      2.900     1.100     1.100 peak   449 spectrum    1 weight  0.10000E+01 volume  0.23119E-02 ppm1      9.052 ppm2      0.947 CV     1
 OR {  449}
   (( segid " 1SG" and resid 8    and name HN  ))
   (  segid " 1SG" and resid 8    and name HG1%)
 ASSI {  450}
   (( segid " 1SG" and resid 9    and name HN  ))
   (  segid " 1SG" and resid 8    and name HG2%)
      3.700     1.700     1.700 peak   450 spectrum    1 weight  0.10000E+01 volume  0.22976E-02 ppm1      7.890 ppm2      0.950 CV     1
 OR {  450}
   (( segid " 1SG" and resid 9    and name HN  ))
   (  segid " 1SG" and resid 8    and name HG1%)
 ASSI {  453}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 52   and name HB2 ))
      2.900     1.100     1.100 peak   453 spectrum    1 weight  0.10000E+01 volume  0.22759E-02 ppm1      7.785 ppm2      1.718 CV     1
 ASSI {  454}
   (( segid " 1SG" and resid 39   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG1%)
      3.800     1.800     1.800 peak   454 spectrum    1 weight  0.10000E+01 volume  0.22717E-02 ppm1      7.892 ppm2     -0.081 CV     1
 ASSI {  456}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 37   and name HB2 ))
      3.300     1.300     1.300 peak   456 spectrum    1 weight  0.10000E+01 volume  0.22577E-02 ppm1      8.373 ppm2      1.365 CV     1
 OR {  456}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 37   and name HG2 ))
 ASSI {  458}
   (( segid " 1SG" and resid 48   and name HN  ))
   (  segid " 1SG" and resid 47   and name HG1%)
      3.100     1.200     1.200 peak   458 spectrum    1 weight  0.10000E+01 volume  0.22449E-02 ppm1      8.397 ppm2      0.978 CV     1
 ASSI {  460}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 54   and name HA1 ))
      2.800     1.000     1.000 peak   460 spectrum    1 weight  0.10000E+01 volume  0.22362E-02 ppm1      9.019 ppm2      3.910 CV     1
 ASSI {  461}
   (( segid " 1SG" and resid 93   and name HN  ))
   (  segid " 1SG" and resid 93   and name HG2%)
      3.500     1.600     1.600 peak   461 spectrum    1 weight  0.10000E+01 volume  0.22315E-02 ppm1      8.557 ppm2      1.024 CV     1
 ASSI {  463}
   (( segid " 1SG" and resid 84   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG1%)
      2.800     0.900     0.900 peak   463 spectrum    1 weight  0.10000E+01 volume  0.21934E-02 ppm1      7.866 ppm2      0.680 CV     1
 ASSI {  465}
   (( segid " 1SG" and resid 40   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG2%)
      3.900     1.900     1.900 peak   465 spectrum    1 weight  0.10000E+01 volume  0.21865E-02 ppm1      8.695 ppm2     -0.459 CV     1
 ASSI {  466}
   (( segid " 1SG" and resid 24   and name HN  ))
   (  segid " 1SG" and resid 24   and name HD% )
      3.000     1.100     1.100 peak   466 spectrum    1 weight  0.10000E+01 volume  0.21791E-02 ppm1      9.240 ppm2      6.937 CV     1
 ASSI {  468}
   (( segid " 1SG" and resid 83   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG1%)
      2.600     0.900     0.900 peak   468 spectrum    1 weight  0.10000E+01 volume  0.21770E-02 ppm1      8.255 ppm2      0.675 CV     1
 ASSI {  469}
   (( segid " 1SG" and resid 27   and name HN  ))
   (  segid " 1SG" and resid 26   and name HB% )
      3.300     1.400     1.400 peak   469 spectrum    1 weight  0.10000E+01 volume  0.21685E-02 ppm1      8.888 ppm2      1.455 CV     1
 ASSI {  470}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 47   and name HA  ))
      2.800     0.900     0.900 peak   470 spectrum    1 weight  0.10000E+01 volume  0.21651E-02 ppm1      7.291 ppm2      4.058 CV     1
 ASSI {  474}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 21   and name HB2 ))
      2.900     1.100     1.100 peak   474 spectrum    1 weight  0.10000E+01 volume  0.21577E-02 ppm1      8.888 ppm2      3.751 CV     1
 ASSI {  476}
   (( segid " 1SG" and resid 51   and name HN  ))
   (( segid " 1SG" and resid 50   and name HN  ))
      2.800     1.000     1.000 peak   476 spectrum    1 weight  0.10000E+01 volume  0.21503E-02 ppm1      7.880 ppm2      8.943 CV     1
 ASSI {  477}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 18   and name HA  ))
      3.900     1.900     1.900 peak   477 spectrum    1 weight  0.10000E+01 volume  0.21483E-02 ppm1      8.823 ppm2      3.479 CV     1
 ASSI {  479}
   (( segid " 1SG" and resid 76   and name HN  ))
   (  segid " 1SG" and resid 23   and name HG2%)
      3.500     1.600     1.600 peak   479 spectrum    1 weight  0.10000E+01 volume  0.21448E-02 ppm1      8.927 ppm2      0.780 CV     1
 ASSI {  480}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 22   and name HA  ))
      2.800     1.000     1.000 peak   480 spectrum    1 weight  0.10000E+01 volume  0.21335E-02 ppm1      8.888 ppm2      4.342 CV     1
 ASSI {  482}
   (( segid " 1SG" and resid 49   and name HN  ))
   (  segid " 1SG" and resid 49   and name HD1%)
      3.000     1.100     1.100 peak   482 spectrum    1 weight  0.10000E+01 volume  0.21279E-02 ppm1      9.288 ppm2      1.750 CV     1
 ASSI {  483}
   (( segid " 1SG" and resid 30   and name HN  ))
   (( segid " 1SG" and resid 30   and name HA1 ))
      2.700     0.900     0.900 peak   483 spectrum    1 weight  0.10000E+01 volume  0.21208E-02 ppm1      8.591 ppm2      3.945 CV     1
 ASSI {  484}
   (( segid " 1SG" and resid 18   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.000     1.100     1.100 peak   484 spectrum    1 weight  0.10000E+01 volume  0.20996E-02 ppm1      8.006 ppm2      0.372 CV     1
 ASSI {  487}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 69   and name HB  ))
      3.100     1.200     1.200 peak   487 spectrum    1 weight  0.10000E+01 volume  0.20762E-02 ppm1      8.723 ppm2      1.750 CV     1
 ASSI {  489}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 97   and name HB2 ))
      3.200     1.200     1.200 peak   489 spectrum    1 weight  0.10000E+01 volume  0.20716E-02 ppm1      8.062 ppm2      2.677 CV     1
 ASSI {  490}
   (( segid " 1SG" and resid 83   and name HN  ))
   (  segid " 1SG" and resid 83   and name HD% )
      3.700     1.700     1.700 peak   490 spectrum    1 weight  0.10000E+01 volume  0.20714E-02 ppm1      8.256 ppm2      7.116 CV     1
 ASSI {  493}
   (( segid " 1SG" and resid 23   and name HN  ))
   (( segid " 1SG" and resid 22   and name HB  ))
      4.000     2.000     2.000 peak   493 spectrum    1 weight  0.10000E+01 volume  0.20640E-02 ppm1      7.914 ppm2      1.515 CV     1
 ASSI {  495}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 44   and name HA2 ))
      3.100     1.200     1.200 peak   495 spectrum    1 weight  0.10000E+01 volume  0.20529E-02 ppm1      8.211 ppm2      3.816 CV     1
 ASSI {  498}
   (( segid " 1SG" and resid 52   and name HN  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      3.200     1.200     1.200 peak   498 spectrum    1 weight  0.10000E+01 volume  0.20445E-02 ppm1      7.782 ppm2      1.075 CV     1
 ASSI {  500}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 66   and name HA  ))
      3.100     1.200     1.200 peak   500 spectrum    1 weight  0.10000E+01 volume  0.20410E-02 ppm1      7.422 ppm2      4.123 CV     1
 ASSI {  501}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 106  and name HB  ))
      2.900     1.100     1.100 peak   501 spectrum    1 weight  0.10000E+01 volume  0.20379E-02 ppm1      8.151 ppm2      1.850 CV     1
 ASSI {  503}
   (( segid " 1SG" and resid 87   and name HN  ))
   (  segid " 1SG" and resid 87   and name HD% )
      2.600     0.800     0.800 peak   503 spectrum    1 weight  0.10000E+01 volume  0.20163E-02 ppm1      9.115 ppm2      6.800 CV     1
 ASSI {  504}
   (( segid " 1SG" and resid 61   and name HN  ))
   (( segid " 1SG" and resid 60   and name HB2 ))
      3.800     1.800     1.800 peak   504 spectrum    1 weight  0.10000E+01 volume  0.20086E-02 ppm1      8.180 ppm2      2.991 CV     1
 ASSI {  506}
   (( segid " 1SG" and resid 82   and name HN  ))
   (  segid " 1SG" and resid 82   and name HB% )
      3.300     1.300     1.300 peak   506 spectrum    1 weight  0.10000E+01 volume  0.19943E-02 ppm1      8.017 ppm2      1.312 CV     1
 ASSI {  508}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 96   and name HB2 ))
      3.800     1.800     1.800 peak   508 spectrum    1 weight  0.10000E+01 volume  0.19861E-02 ppm1      8.059 ppm2      1.560 CV     1
 ASSI {  509}
   (( segid " 1SG" and resid 80   and name HE21))
   (( segid " 1SG" and resid 80   and name HB1 ))
      3.000     1.100     1.100 peak   509 spectrum    1 weight  0.10000E+01 volume  0.19829E-02 ppm1      6.985 ppm2      1.949 CV     1
 OR {  509}
   (( segid " 1SG" and resid 80   and name HE21))
   (( segid " 1SG" and resid 80   and name HB2 ))
 ASSI {  510}
   (( segid " 1SG" and resid 85   and name HN  ))
   (( segid " 1SG" and resid 85   and name HA1 ))
      2.900     1.100     1.100 peak   510 spectrum    1 weight  0.10000E+01 volume  0.19738E-02 ppm1      9.407 ppm2      3.930 CV     1
 ASSI {  511}
   (( segid " 1SG" and resid 12   and name HN  ))
   (( segid " 1SG" and resid 12   and name HB2 ))
      2.900     1.100     1.100 peak   511 spectrum    1 weight  0.10000E+01 volume  0.19636E-02 ppm1      8.347 ppm2      1.969 CV     1
 ASSI {  512}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 102  and name HB2 ))
      3.300     1.400     1.400 peak   512 spectrum    1 weight  0.10000E+01 volume  0.19636E-02 ppm1      9.242 ppm2      2.724 CV     1
 ASSI {  515}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 20   and name HN  ))
      3.200     1.300     1.300 peak   515 spectrum    1 weight  0.10000E+01 volume  0.19568E-02 ppm1      8.972 ppm2      8.828 CV     1
 ASSI {  516}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 8    and name HB  ))
      2.900     1.100     1.100 peak   516 spectrum    1 weight  0.10000E+01 volume  0.19482E-02 ppm1      7.887 ppm2      1.807 CV     1
 ASSI {  518}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 87   and name HA  ))
      2.800     1.000     1.000 peak   518 spectrum    1 weight  0.10000E+01 volume  0.19419E-02 ppm1      9.108 ppm2      4.962 CV     1
 ASSI {  522}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB1 ))
      3.600     1.600     1.600 peak   522 spectrum    1 weight  0.10000E+01 volume  0.19265E-02 ppm1      8.381 ppm2      2.395 CV     1
 OR {  522}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB2 ))
 ASSI {  526}
   (( segid " 1SG" and resid 29   and name HN  ))
   (( segid " 1SG" and resid 29   and name HA  ))
      2.900     1.000     1.000 peak   526 spectrum    1 weight  0.10000E+01 volume  0.18892E-02 ppm1      8.854 ppm2      4.390 CV     1
 ASSI {  527}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 49   and name HG  ))
      3.200     1.300     1.300 peak   527 spectrum    1 weight  0.10000E+01 volume  0.18816E-02 ppm1      9.289 ppm2      0.785 CV     1
 ASSI {  530}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 54   and name HA2 ))
      3.300     1.300     1.300 peak   530 spectrum    1 weight  0.10000E+01 volume  0.18687E-02 ppm1      9.019 ppm2      4.291 CV     1
 ASSI {  531}
   (( segid " 1SG" and resid 19   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      3.300     1.400     1.400 peak   531 spectrum    1 weight  0.10000E+01 volume  0.18557E-02 ppm1      9.828 ppm2      1.174 CV     1
 ASSI {  532}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 60   and name HB2 ))
      2.900     1.000     1.000 peak   532 spectrum    1 weight  0.10000E+01 volume  0.18539E-02 ppm1      8.687 ppm2      2.990 CV     1
 ASSI {  533}
   (( segid " 1SG" and resid 5    and name HN  ))
   (( segid " 1SG" and resid 4    and name HB  ))
      2.600     0.800     0.800 peak   533 spectrum    1 weight  0.10000E+01 volume  0.18454E-02 ppm1      8.144 ppm2      2.029 CV     1
 ASSI {  534}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 71   and name HN  ))
      3.000     1.100     1.100 peak   534 spectrum    1 weight  0.10000E+01 volume  0.18437E-02 ppm1      8.848 ppm2      8.722 CV     1
 ASSI {  535}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 105  and name HB  ))
      2.900     1.100     1.100 peak   535 spectrum    1 weight  0.10000E+01 volume  0.18350E-02 ppm1      8.398 ppm2      3.929 CV     1
 ASSI {  537}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 58   and name HA  ))
      2.800     1.000     1.000 peak   537 spectrum    1 weight  0.10000E+01 volume  0.18330E-02 ppm1      8.940 ppm2      4.631 CV     1
 ASSI {  539}
   (( segid " 1SG" and resid 28   and name HN  ))
   (  segid " 1SG" and resid 28   and name HG2%)
      3.100     1.200     1.200 peak   539 spectrum    1 weight  0.10000E+01 volume  0.18266E-02 ppm1      9.673 ppm2      0.631 CV     1
 ASSI {  540}
   (( segid " 1SG" and resid 48   and name HN  ))
   (( segid " 1SG" and resid 48   and name HA  ))
      3.000     1.100     1.100 peak   540 spectrum    1 weight  0.10000E+01 volume  0.18203E-02 ppm1      8.396 ppm2      4.191 CV     1
 ASSI {  541}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 40   and name HB2 ))
      3.700     1.700     1.700 peak   541 spectrum    1 weight  0.10000E+01 volume  0.18187E-02 ppm1      8.694 ppm2      1.340 CV     1
 ASSI {  542}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 59   and name HA  ))
      2.800     1.000     1.000 peak   542 spectrum    1 weight  0.10000E+01 volume  0.18173E-02 ppm1      8.380 ppm2      5.185 CV     1
 ASSI {  544}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 16   and name HN  ))
      3.300     1.300     1.300 peak   544 spectrum    1 weight  0.10000E+01 volume  0.18071E-02 ppm1      8.823 ppm2      8.584 CV     1
 ASSI {  545}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 93   and name HN  ))
      2.900     1.000     1.000 peak   545 spectrum    1 weight  0.10000E+01 volume  0.18058E-02 ppm1      7.548 ppm2      8.557 CV     1
 ASSI {  546}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 71   and name HB2 ))
      3.300     1.400     1.400 peak   546 spectrum    1 weight  0.10000E+01 volume  0.18009E-02 ppm1      8.723 ppm2      1.271 CV     1
 ASSI {  548}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 58   and name HG2 ))
      4.400     2.400     1.600 peak   548 spectrum    1 weight  0.10000E+01 volume  0.17945E-02 ppm1      8.378 ppm2      1.797 CV     1
 ASSI {  549}
   (( segid " 1SG" and resid 91   and name HN  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      3.400     1.400     1.400 peak   549 spectrum    1 weight  0.10000E+01 volume  0.17945E-02 ppm1      8.474 ppm2      0.179 CV     1
 ASSI {  550}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 14   and name HA2 ))
      3.000     1.100     1.100 peak   550 spectrum    1 weight  0.10000E+01 volume  0.17903E-02 ppm1      9.184 ppm2      4.939 CV     1
 ASSI {  551}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 40   and name HB2 ))
      3.400     1.500     1.500 peak   551 spectrum    1 weight  0.10000E+01 volume  0.17869E-02 ppm1      9.309 ppm2      1.344 CV     1
 ASSI {  554}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 88   and name HA  ))
      2.900     1.000     1.000 peak   554 spectrum    1 weight  0.10000E+01 volume  0.17783E-02 ppm1      8.977 ppm2      5.305 CV     1
 ASSI {  555}
   (( segid " 1SG" and resid 59   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD1%)
      4.000     2.000     2.000 peak   555 spectrum    1 weight  0.10000E+01 volume  0.17748E-02 ppm1      8.380 ppm2      0.859 CV     1
 ASSI {  558}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 49   and name HN  ))
      2.900     1.100     1.100 peak   558 spectrum    1 weight  0.10000E+01 volume  0.17593E-02 ppm1      8.941 ppm2      9.293 CV     1
 ASSI {  559}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 47   and name HB  ))
      3.200     1.300     1.300 peak   559 spectrum    1 weight  0.10000E+01 volume  0.17573E-02 ppm1      8.633 ppm2      2.501 CV     1
 ASSI {  560}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 92   and name HB1 ))
      3.200     1.200     1.200 peak   560 spectrum    1 weight  0.10000E+01 volume  0.17520E-02 ppm1      8.734 ppm2      3.936 CV     1
 OR {  560}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 92   and name HB2 ))
 ASSI {  561}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 96   and name HB2 ))
      2.500     0.800     0.800 peak   561 spectrum    1 weight  0.10000E+01 volume  0.17468E-02 ppm1      7.548 ppm2      1.566 CV     1
 ASSI {  563}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 64   and name HA  ))
      3.700     1.700     1.700 peak   563 spectrum    1 weight  0.10000E+01 volume  0.17377E-02 ppm1      8.107 ppm2      4.573 CV     1
 ASSI {  564}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 39   and name HA  ))
      2.900     1.000     1.000 peak   564 spectrum    1 weight  0.10000E+01 volume  0.17350E-02 ppm1      7.892 ppm2      4.799 CV     1
 ASSI {  565}
   (( segid " 1SG" and resid 72   and name HN  ))
   (  segid " 1SG" and resid 72   and name HD% )
      2.800     1.000     1.000 peak   565 spectrum    1 weight  0.10000E+01 volume  0.17339E-02 ppm1      9.296 ppm2      7.306 CV     1
 ASSI {  566}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 14   and name HA1 ))
      3.100     1.200     1.200 peak   566 spectrum    1 weight  0.10000E+01 volume  0.17255E-02 ppm1      9.184 ppm2      3.743 CV     1
 ASSI {  567}
   (( segid " 1SG" and resid 77   and name HN  ))
   (( segid " 1SG" and resid 77   and name HA  ))
      2.800     1.000     1.000 peak   567 spectrum    1 weight  0.10000E+01 volume  0.17254E-02 ppm1      8.715 ppm2      4.655 CV     1
 ASSI {  570}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 87   and name HA  ))
      3.200     1.300     1.300 peak   570 spectrum    1 weight  0.10000E+01 volume  0.16987E-02 ppm1      8.211 ppm2      4.972 CV     1
 ASSI {  571}
   (( segid " 1SG" and resid 30   and name HN  ))
   (( segid " 1SG" and resid 30   and name HA2 ))
      3.300     1.300     1.300 peak   571 spectrum    1 weight  0.10000E+01 volume  0.16968E-02 ppm1      8.590 ppm2      4.673 CV     1
 ASSI {  573}
   (( segid " 1SG" and resid 108  and name HN  ))
   (  segid " 1SG" and resid 18   and name HG2%)
      3.500     1.500     1.500 peak   573 spectrum    1 weight  0.10000E+01 volume  0.16754E-02 ppm1      8.565 ppm2      0.943 CV     1
 ASSI {  574}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 13   and name HB2 ))
      2.700     0.900     0.900 peak   574 spectrum    1 weight  0.10000E+01 volume  0.16740E-02 ppm1      9.184 ppm2      2.684 CV     1
 ASSI {  575}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 75   and name HB2 ))
      3.000     1.100     1.100 peak   575 spectrum    1 weight  0.10000E+01 volume  0.16735E-02 ppm1      8.941 ppm2      2.888 CV     1
 OR {  575}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 75   and name HB1 ))
 ASSI {  576}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 77   and name HA  ))
      3.000     1.100     1.100 peak   576 spectrum    1 weight  0.10000E+01 volume  0.16648E-02 ppm1      8.887 ppm2      4.655 CV     1
 ASSI {  578}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 40   and name HA  ))
      2.900     1.000     1.000 peak   578 spectrum    1 weight  0.10000E+01 volume  0.16642E-02 ppm1      8.696 ppm2      4.547 CV     1
 ASSI {  579}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 65   and name HA  ))
      3.200     1.300     1.300 peak   579 spectrum    1 weight  0.10000E+01 volume  0.16624E-02 ppm1      8.106 ppm2      3.452 CV     1
 ASSI {  581}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 84   and name HA  ))
      3.000     1.100     1.100 peak   581 spectrum    1 weight  0.10000E+01 volume  0.16456E-02 ppm1      8.151 ppm2      4.228 CV     1
 OR {  581}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 84   and name HB  ))
 ASSI {  582}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 56   and name HN  ))
      2.900     1.000     1.000 peak   582 spectrum    1 weight  0.10000E+01 volume  0.16454E-02 ppm1      7.199 ppm2      8.391 CV     1
 ASSI {  584}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 96   and name HG2 ))
      3.800     1.800     1.800 peak   584 spectrum    1 weight  0.10000E+01 volume  0.16441E-02 ppm1      8.062 ppm2      1.318 CV     1
 ASSI {  585}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HB1 ))
      3.100     1.200     1.200 peak   585 spectrum    1 weight  0.10000E+01 volume  0.16418E-02 ppm1      8.888 ppm2      1.573 CV     1
 OR {  585}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HB2 ))
 ASSI {  587}
   (( segid " 1SG" and resid 79   and name HN  ))
   (  segid " 1SG" and resid 76   and name HG2%)
      3.300     3.300     2.700 peak   587 spectrum    1 weight  0.10000E+01 volume  0.16353E-02 ppm1      8.974 ppm2      0.787 CV     1
 ASSI {  590}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 53   and name HA  ))
      3.800     1.800     1.800 peak   590 spectrum    1 weight  0.10000E+01 volume  0.16143E-02 ppm1      7.198 ppm2      4.042 CV     1
 ASSI {  592}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 94   and name HA  ))
      3.100     1.200     1.200 peak   592 spectrum    1 weight  0.10000E+01 volume  0.16116E-02 ppm1      7.971 ppm2      4.045 CV     1
 ASSI {  593}
   (( segid " 1SG" and resid 63   and name HN  ))
   (( segid " 1SG" and resid 63   and name HB2 ))
      3.600     1.600     1.600 peak   593 spectrum    1 weight  0.10000E+01 volume  0.16107E-02 ppm1      8.518 ppm2      2.529 CV     1
 ASSI {  595}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 76   and name HB  ))
      3.500     1.500     1.500 peak   595 spectrum    1 weight  0.10000E+01 volume  0.15998E-02 ppm1      8.888 ppm2      1.901 CV     1
 ASSI {  596}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 104  and name HA  ))
      3.000     1.100     1.100 peak   596 spectrum    1 weight  0.10000E+01 volume  0.15980E-02 ppm1      9.184 ppm2      5.418 CV     1
 ASSI {  597}
   (( segid " 1SG" and resid 18   and name HN  ))
   (( segid " 1SG" and resid 108  and name HA  ))
      3.100     1.200     1.200 peak   597 spectrum    1 weight  0.10000E+01 volume  0.15980E-02 ppm1      8.006 ppm2      4.146 CV     1
 ASSI {  599}
   (( segid " 1SG" and resid 80   and name HN  ))
   (( segid " 1SG" and resid 79   and name HA  ))
      2.900     1.000     1.000 peak   599 spectrum    1 weight  0.10000E+01 volume  0.15849E-02 ppm1      5.579 ppm2      3.659 CV     1
 ASSI {  601}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      4.000     2.000     2.000 peak   601 spectrum    1 weight  0.10000E+01 volume  0.15742E-02 ppm1      9.018 ppm2      1.461 CV     1
 ASSI {  603}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 38   and name HN  ))
      3.000     1.100     1.100 peak   603 spectrum    1 weight  0.10000E+01 volume  0.15660E-02 ppm1      8.735 ppm2      8.378 CV     1
 ASSI {  604}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 46   and name HN  ))
      2.400     0.700     0.700 peak   604 spectrum    1 weight  0.10000E+01 volume  0.15646E-02 ppm1      7.293 ppm2      8.221 CV     1
 ASSI {  608}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 78   and name HB2 ))
      3.200     1.300     1.300 peak   608 spectrum    1 weight  0.10000E+01 volume  0.15504E-02 ppm1      8.054 ppm2      2.374 CV     1
 ASSI {  611}
   (( segid " 1SG" and resid 23   and name HN  ))
   (  segid " 1SG" and resid 23   and name HG2%)
      4.000     2.000     2.000 peak   611 spectrum    1 weight  0.10000E+01 volume  0.15430E-02 ppm1      7.914 ppm2      0.771 CV     1
 ASSI {  612}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 28   and name HB  ))
      3.100     1.200     1.200 peak   612 spectrum    1 weight  0.10000E+01 volume  0.15361E-02 ppm1      9.674 ppm2      1.955 CV     1
 ASSI {  613}
   (( segid " 1SG" and resid 107  and name HN  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      3.600     1.600     1.600 peak   613 spectrum    1 weight  0.10000E+01 volume  0.15341E-02 ppm1      8.823 ppm2      0.606 CV     1
 ASSI {  614}
   (( segid " 1SG" and resid 17   and name HN  ))
   (( segid " 1SG" and resid 18   and name HN  ))
      3.700     1.700     1.700 peak   614 spectrum    1 weight  0.10000E+01 volume  0.15288E-02 ppm1      7.899 ppm2      7.995 CV     1
 ASSI {  620}
   (( segid " 1SG" and resid 107  and name HN  ))
   (  segid " 1SG" and resid 106  and name HG1%)
      4.000     2.000     2.000 peak   620 spectrum    1 weight  0.10000E+01 volume  0.14900E-02 ppm1      8.823 ppm2      0.675 CV     1
 ASSI {  622}
   (( segid " 1SG" and resid 61   and name HN  ))
   (( segid " 1SG" and resid 61   and name HB2 ))
      3.300     1.400     1.400 peak   622 spectrum    1 weight  0.10000E+01 volume  0.14802E-02 ppm1      8.177 ppm2      2.298 CV     1
 ASSI {  623}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 58   and name HG2 ))
      3.400     1.400     1.400 peak   623 spectrum    1 weight  0.10000E+01 volume  0.14797E-02 ppm1      8.941 ppm2      1.805 CV     1
 ASSI {  626}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 92   and name HA  ))
      3.100     1.200     1.200 peak   626 spectrum    1 weight  0.10000E+01 volume  0.14762E-02 ppm1      8.735 ppm2      5.242 CV     1
 ASSI {  630}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 16   and name HB  ))
      3.500     1.600     1.600 peak   630 spectrum    1 weight  0.10000E+01 volume  0.14613E-02 ppm1      8.594 ppm2      1.795 CV     1
 ASSI {  631}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 97   and name HA  ))
      3.200     1.300     1.300 peak   631 spectrum    1 weight  0.10000E+01 volume  0.14613E-02 ppm1      8.062 ppm2      5.253 CV     1
 ASSI {  632}
   (( segid " 1SG" and resid 58   and name HE22))
   (( segid " 1SG" and resid 76   and name HG12))
      3.900     1.900     1.900 peak   632 spectrum    1 weight  0.10000E+01 volume  0.14599E-02 ppm1      6.684 ppm2      1.101 CV     1
 ASSI {  635}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB2 ))
      3.100     1.200     1.200 peak   635 spectrum    1 weight  0.10000E+01 volume  0.14530E-02 ppm1      8.944 ppm2      2.395 CV     1
 OR {  635}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB1 ))
 ASSI {  636}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 25   and name HB2 ))
      3.300     1.400     1.400 peak   636 spectrum    1 weight  0.10000E+01 volume  0.14474E-02 ppm1      8.404 ppm2      3.599 CV     1
 ASSI {  637}
   (( segid " 1SG" and resid 7    and name HN  ))
   (  segid " 1SG" and resid 7    and name HD% )
      3.800     1.800     1.800 peak   637 spectrum    1 weight  0.10000E+01 volume  0.14433E-02 ppm1      8.878 ppm2      7.307 CV     1
 ASSI {  638}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 75   and name HA  ))
      3.100     1.200     1.200 peak   638 spectrum    1 weight  0.10000E+01 volume  0.14416E-02 ppm1      9.154 ppm2      5.086 CV     1
 ASSI {  639}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 107  and name HD2 ))
      3.300     1.400     1.400 peak   639 spectrum    1 weight  0.10000E+01 volume  0.14384E-02 ppm1      8.593 ppm2      6.922 CV     1
 ASSI {  642}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 35   and name HD2 ))
      3.400     1.500     1.500 peak   642 spectrum    1 weight  0.10000E+01 volume  0.14297E-02 ppm1      8.373 ppm2      1.622 CV     1
 OR {  642}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 35   and name HD1 ))
 ASSI {  643}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 75   and name HN  ))
      2.900     1.100     1.100 peak   643 spectrum    1 weight  0.10000E+01 volume  0.14285E-02 ppm1      8.939 ppm2      9.154 CV     1
 ASSI {  644}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 19   and name HN  ))
      3.200     1.200     1.200 peak   644 spectrum    1 weight  0.10000E+01 volume  0.14129E-02 ppm1      8.973 ppm2      9.828 CV     1
 ASSI {  645}
   (( segid " 1SG" and resid 59   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD2%)
      3.900     1.900     1.900 peak   645 spectrum    1 weight  0.10000E+01 volume  0.14100E-02 ppm1      8.381 ppm2      0.692 CV     1
 ASSI {  646}
   (( segid " 1SG" and resid 5    and name HN  ))
   (( segid " 1SG" and resid 4    and name HA  ))
      3.400     1.400     1.400 peak   646 spectrum    1 weight  0.10000E+01 volume  0.14071E-02 ppm1      8.144 ppm2      4.009 CV     1
 ASSI {  647}
   (( segid " 1SG" and resid 77   and name HN  ))
   (( segid " 1SG" and resid 57   and name HA  ))
      4.000     2.000     2.000 peak   647 spectrum    1 weight  0.10000E+01 volume  0.14059E-02 ppm1      8.715 ppm2      5.396 CV     1
 ASSI {  649}
   (( segid " 1SG" and resid 80   and name HE22))
   (( segid " 1SG" and resid 80   and name HB1 ))
      4.100     2.100     1.900 peak   649 spectrum    1 weight  0.10000E+01 volume  0.14003E-02 ppm1      6.645 ppm2      1.953 CV     1
 OR {  649}
   (( segid " 1SG" and resid 80   and name HE22))
   (( segid " 1SG" and resid 80   and name HB2 ))
 ASSI {  651}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 94   and name HB2 ))
      3.400     1.500     1.500 peak   651 spectrum    1 weight  0.10000E+01 volume  0.13900E-02 ppm1      7.971 ppm2      1.782 CV     1
 ASSI {  652}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 11   and name HA  ))
      3.400     1.400     1.400 peak   652 spectrum    1 weight  0.10000E+01 volume  0.13842E-02 ppm1      8.398 ppm2      4.795 CV     1
 ASSI {  653}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 64   and name HB2 ))
      3.600     1.600     1.600 peak   653 spectrum    1 weight  0.10000E+01 volume  0.13805E-02 ppm1      6.898 ppm2      2.337 CV     1
 ASSI {  654}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 59   and name HG  ))
      4.000     2.000     2.000 peak   654 spectrum    1 weight  0.10000E+01 volume  0.13788E-02 ppm1      8.699 ppm2      1.425 CV     1
 ASSI {  656}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 68   and name HA  ))
      4.500     2.500     1.500 peak   656 spectrum    1 weight  0.10000E+01 volume  0.13751E-02 ppm1      7.420 ppm2      3.594 CV     1
 ASSI {  658}
   (( segid " 1SG" and resid 26   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD1%)
      3.100     1.200     1.200 peak   658 spectrum    1 weight  0.10000E+01 volume  0.13741E-02 ppm1      9.497 ppm2      0.841 CV     1
 ASSI {  659}
   (( segid " 1SG" and resid 103  and name HD22))
   (( segid " 1SG" and resid 103  and name HB2 ))
      4.200     2.200     1.800 peak   659 spectrum    1 weight  0.10000E+01 volume  0.13720E-02 ppm1      6.747 ppm2      2.501 CV     1
 ASSI {  660}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 24   and name HB2 ))
      3.600     1.700     1.700 peak   660 spectrum    1 weight  0.10000E+01 volume  0.13713E-02 ppm1      8.399 ppm2      2.394 CV     1
 ASSI {  661}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 45   and name HD2 ))
      3.300     3.300     2.700 peak   661 spectrum    1 weight  0.10000E+01 volume  0.13685E-02 ppm1     10.113 ppm2      1.215 CV     1
 OR {  661}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 45   and name HD1 ))
 ASSI {  662}
   (( segid " 1SG" and resid 34   and name HN  ))
   (( segid " 1SG" and resid 93   and name HA  ))
      4.100     2.100     1.900 peak   662 spectrum    1 weight  0.10000E+01 volume  0.13644E-02 ppm1      8.673 ppm2      4.763 CV     1
 ASSI {  663}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 73   and name HN  ))
      3.100     1.200     1.200 peak   663 spectrum    1 weight  0.10000E+01 volume  0.13620E-02 ppm1      8.686 ppm2      9.449 CV     1
 ASSI {  664}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 61   and name HA  ))
      3.600     1.600     1.600 peak   664 spectrum    1 weight  0.10000E+01 volume  0.13613E-02 ppm1      9.450 ppm2      5.557 CV     1
 ASSI {  665}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 24   and name HA  ))
      3.100     1.200     1.200 peak   665 spectrum    1 weight  0.10000E+01 volume  0.13613E-02 ppm1      9.240 ppm2      4.615 CV     1
 ASSI {  666}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 27   and name HB2 ))
      3.400     1.400     1.400 peak   666 spectrum    1 weight  0.10000E+01 volume  0.13500E-02 ppm1      9.672 ppm2      1.578 CV     1
 OR {  666}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 27   and name HB1 ))
 ASSI {  667}
   (( segid " 1SG" and resid 104  and name HN  ))
   (  segid " 1SG" and resid 87   and name HD% )
      3.400     1.500     1.500 peak   667 spectrum    1 weight  0.10000E+01 volume  0.13488E-02 ppm1      8.792 ppm2      6.806 CV     1
 ASSI {  668}
   (( segid " 1SG" and resid 26   and name HN  ))
   (( segid " 1SG" and resid 25   and name HB2 ))
      3.700     1.700     1.700 peak   668 spectrum    1 weight  0.10000E+01 volume  0.13447E-02 ppm1      9.497 ppm2      3.598 CV     1
 ASSI {  669}
   (( segid " 1SG" and resid 58   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
      3.200     1.300     1.300 peak   669 spectrum    1 weight  0.10000E+01 volume  0.13444E-02 ppm1      8.941 ppm2      0.604 CV     1
 OR {  669}
   (( segid " 1SG" and resid 58   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI {  670}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 3    and name HD1 ))
      4.100     2.100     1.900 peak   670 spectrum    1 weight  0.10000E+01 volume  0.13370E-02 ppm1      8.118 ppm2      3.845 CV     1
 OR {  670}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 3    and name HD2 ))
 ASSI {  672}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 93   and name HA  ))
      3.400     1.400     1.400 peak   672 spectrum    1 weight  0.10000E+01 volume  0.13334E-02 ppm1      8.375 ppm2      4.772 CV     1
 ASSI {  673}
   (( segid " 1SG" and resid 25   and name HN  ))
   (  segid " 1SG" and resid 24   and name HD% )
      3.900     1.900     1.900 peak   673 spectrum    1 weight  0.10000E+01 volume  0.13317E-02 ppm1      8.400 ppm2      6.932 CV     1
 ASSI {  676}
   (( segid " 1SG" and resid 68   and name HN  ))
   (( segid " 1SG" and resid 67   and name HA  ))
      3.300     1.400     1.400 peak   676 spectrum    1 weight  0.10000E+01 volume  0.13256E-02 ppm1      7.874 ppm2      4.297 CV     1
 ASSI {  678}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 107  and name HD2 ))
      3.200     1.300     1.300 peak   678 spectrum    1 weight  0.10000E+01 volume  0.13236E-02 ppm1      8.821 ppm2      6.922 CV     1
 ASSI {  679}
   (( segid " 1SG" and resid 8    and name HN  ))
   (( segid " 1SG" and resid 8    and name HB  ))
      3.100     1.200     1.200 peak   679 spectrum    1 weight  0.10000E+01 volume  0.13204E-02 ppm1      9.052 ppm2      1.821 CV     1
 ASSI {  680}
   (( segid " 1SG" and resid 77   and name HN  ))
   (( segid " 1SG" and resid 77   and name HB  ))
      3.600     1.600     1.600 peak   680 spectrum    1 weight  0.10000E+01 volume  0.13196E-02 ppm1      8.717 ppm2      4.008 CV     1
 ASSI {  681}
   (( segid " 1SG" and resid 23   and name HN  ))
   (( segid " 1SG" and resid 23   and name HA  ))
      3.100     1.200     1.200 peak   681 spectrum    1 weight  0.10000E+01 volume  0.13175E-02 ppm1      7.913 ppm2      5.100 CV     1
 ASSI {  682}
   (( segid " 1SG" and resid 100  and name HN  ))
   (( segid " 1SG" and resid 90   and name HA  ))
      3.700     1.700     1.700 peak   682 spectrum    1 weight  0.10000E+01 volume  0.13163E-02 ppm1      8.897 ppm2      4.788 CV     1
 ASSI {  683}
   (( segid " 1SG" and resid 76   and name HN  ))
   (( segid " 1SG" and resid 75   and name HB1 ))
      4.000     2.000     2.000 peak   683 spectrum    1 weight  0.10000E+01 volume  0.13146E-02 ppm1      8.925 ppm2      2.891 CV     1
 OR {  683}
   (( segid " 1SG" and resid 76   and name HN  ))
   (( segid " 1SG" and resid 75   and name HB2 ))
 ASSI {  684}
   (( segid " 1SG" and resid 102  and name HN  ))
   (( segid " 1SG" and resid 102  and name HA  ))
      3.200     1.300     1.300 peak   684 spectrum    1 weight  0.10000E+01 volume  0.13136E-02 ppm1      8.557 ppm2      4.989 CV     1
 ASSI {  686}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 49   and name HB2 ))
      3.800     1.800     1.800 peak   686 spectrum    1 weight  0.10000E+01 volume  0.13119E-02 ppm1      7.786 ppm2      1.548 CV     1
 ASSI {  690}
   (( segid " 1SG" and resid 64   and name HN  ))
   (( segid " 1SG" and resid 69   and name HN  ))
      3.200     1.300     1.300 peak   690 spectrum    1 weight  0.10000E+01 volume  0.13016E-02 ppm1      7.751 ppm2      6.898 CV     1
 ASSI {  691}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 33   and name HA  ))
      4.300     2.300     1.700 peak   691 spectrum    1 weight  0.10000E+01 volume  0.13009E-02 ppm1      7.509 ppm2      4.450 CV     1
 ASSI {  694}
   (( segid " 1SG" and resid 74   and name HN  ))
   (  segid " 1SG" and resid 23   and name HG2%)
      3.500     1.500     1.500 peak   694 spectrum    1 weight  0.10000E+01 volume  0.12953E-02 ppm1      8.470 ppm2      0.765 CV     1
 ASSI {  696}
   (( segid " 1SG" and resid 68   and name HN  ))
   (( segid " 1SG" and resid 65   and name HA  ))
      3.100     1.200     1.200 peak   696 spectrum    1 weight  0.10000E+01 volume  0.12893E-02 ppm1      7.878 ppm2      3.451 CV     1
 ASSI {  698}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 45   and name HB2 ))
      3.400     1.400     1.400 peak   698 spectrum    1 weight  0.10000E+01 volume  0.12814E-02 ppm1     10.115 ppm2      0.595 CV     1
 OR {  698}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 45   and name HG2 ))
 ASSI {  699}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 38   and name HB  ))
      3.900     1.900     1.900 peak   699 spectrum    1 weight  0.10000E+01 volume  0.12782E-02 ppm1      7.893 ppm2      1.891 CV     1
 ASSI {  700}
   (( segid " 1SG" and resid 26   and name HN  ))
   (( segid " 1SG" and resid 26   and name HA  ))
      3.200     1.300     1.300 peak   700 spectrum    1 weight  0.10000E+01 volume  0.12753E-02 ppm1      9.494 ppm2      4.916 CV     1
 ASSI {  701}
   (( segid " 1SG" and resid 106  and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      4.100     2.100     1.900 peak   701 spectrum    1 weight  0.10000E+01 volume  0.12748E-02 ppm1      8.148 ppm2      0.372 CV     1
 ASSI {  702}
   (( segid " 1SG" and resid 50   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD1%)
      3.600     1.600     1.600 peak   702 spectrum    1 weight  0.10000E+01 volume  0.12746E-02 ppm1      8.941 ppm2      0.855 CV     1
 ASSI {  703}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 21   and name HA  ))
      2.800     1.000     1.000 peak   703 spectrum    1 weight  0.10000E+01 volume  0.12746E-02 ppm1      8.053 ppm2      5.494 CV     1
 ASSI {  704}
   (( segid " 1SG" and resid 38   and name HN  ))
   (  segid " 1SG" and resid 93   and name HG2%)
      4.100     2.100     1.900 peak   704 spectrum    1 weight  0.10000E+01 volume  0.12726E-02 ppm1      8.372 ppm2      1.022 CV     1
 ASSI {  706}
   (( segid " 1SG" and resid 87   and name HN  ))
   (( segid " 1SG" and resid 103  and name HA  ))
      3.200     1.300     1.300 peak   706 spectrum    1 weight  0.10000E+01 volume  0.12707E-02 ppm1      9.115 ppm2      5.535 CV     1
 ASSI {  707}
   (( segid " 1SG" and resid 33   and name HN  ))
   (( segid " 1SG" and resid 33   and name HB2 ))
      3.700     1.800     1.800 peak   707 spectrum    1 weight  0.10000E+01 volume  0.12683E-02 ppm1      7.611 ppm2      1.718 CV     1
 ASSI {  708}
   (( segid " 1SG" and resid 71   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD2%)
      4.600     2.600     1.400 peak   708 spectrum    1 weight  0.10000E+01 volume  0.12668E-02 ppm1      8.723 ppm2      0.733 CV     1
 ASSI {  709}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 27   and name HB1 ))
      3.300     1.300     1.300 peak   709 spectrum    1 weight  0.10000E+01 volume  0.12661E-02 ppm1      7.888 ppm2      1.570 CV     1
 OR {  709}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 27   and name HB2 ))
 ASSI {  710}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 72   and name HA  ))
      3.600     1.600     1.600 peak   710 spectrum    1 weight  0.10000E+01 volume  0.12630E-02 ppm1      8.849 ppm2      5.367 CV     1
 ASSI {  711}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 24   and name HB2 ))
      3.100     1.200     1.200 peak   711 spectrum    1 weight  0.10000E+01 volume  0.12617E-02 ppm1      9.240 ppm2      2.394 CV     1
 ASSI {  712}
   (( segid " 1SG" and resid 19   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      4.100     2.100     1.900 peak   712 spectrum    1 weight  0.10000E+01 volume  0.12597E-02 ppm1      9.827 ppm2      0.372 CV     1
 ASSI {  713}
   (( segid " 1SG" and resid 72   and name HN  ))
   (( segid " 1SG" and resid 72   and name HB2 ))
      2.800     1.000     1.000 peak   713 spectrum    1 weight  0.10000E+01 volume  0.12584E-02 ppm1      9.295 ppm2      2.892 CV     1
 ASSI {  715}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 49   and name HA  ))
      3.300     1.400     1.400 peak   715 spectrum    1 weight  0.10000E+01 volume  0.12579E-02 ppm1      8.940 ppm2      3.867 CV     1
 ASSI {  716}
   (( segid " 1SG" and resid 42   and name HN  ))
   (  segid " 1SG" and resid 42   and name HD% )
      4.100     2.100     1.900 peak   716 spectrum    1 weight  0.10000E+01 volume  0.12575E-02 ppm1      9.448 ppm2      6.695 CV     1
 ASSI {  718}
   (( segid " 1SG" and resid 85   and name HN  ))
   (( segid " 1SG" and resid 104  and name HN  ))
      3.200     1.300     1.300 peak   718 spectrum    1 weight  0.10000E+01 volume  0.12544E-02 ppm1      9.408 ppm2      8.792 CV     1
 ASSI {  720}
   (( segid " 1SG" and resid 54   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
      3.600     1.600     1.600 peak   720 spectrum    1 weight  0.10000E+01 volume  0.12463E-02 ppm1      9.023 ppm2      0.598 CV     1
 OR {  720}
   (( segid " 1SG" and resid 54   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI {  725}
   (( segid " 1SG" and resid 74   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD1%)
      3.600     1.700     1.700 peak   725 spectrum    1 weight  0.10000E+01 volume  0.12425E-02 ppm1      8.471 ppm2      0.409 CV     1
 OR {  725}
   (( segid " 1SG" and resid 74   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD2%)
 ASSI {  728}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (  segid " 1SG" and resid 72   and name HD% )
      3.300     1.400     1.400 peak   728 spectrum    1 weight  0.10000E+01 volume  0.12303E-02 ppm1     10.780 ppm2      7.306 CV     1
 ASSI {  729}
   (( segid " 1SG" and resid 44   and name HN  ))
   (  segid " 1SG" and resid 47   and name HG1%)
      4.100     2.100     1.900 peak   729 spectrum    1 weight  0.10000E+01 volume  0.12262E-02 ppm1      8.212 ppm2      0.992 CV     1
 ASSI {  730}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 107  and name HN  ))
      3.700     1.800     1.800 peak   730 spectrum    1 weight  0.10000E+01 volume  0.12227E-02 ppm1      8.563 ppm2      8.822 CV     1
 ASSI {  731}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (  segid " 1SG" and resid 59   and name HD1%)
      3.800     1.800     1.800 peak   731 spectrum    1 weight  0.10000E+01 volume  0.12221E-02 ppm1     10.780 ppm2      0.855 CV     1
 ASSI {  732}
   (( segid " 1SG" and resid 6    and name HN  ))
   (( segid " 1SG" and resid 7    and name HN  ))
      3.100     1.200     1.200 peak   732 spectrum    1 weight  0.10000E+01 volume  0.12204E-02 ppm1      8.450 ppm2      8.878 CV     1
 ASSI {  733}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 103  and name HB2 ))
      3.800     1.800     1.800 peak   733 spectrum    1 weight  0.10000E+01 volume  0.12194E-02 ppm1      8.794 ppm2      2.502 CV     1
 ASSI {  734}
   (( segid " 1SG" and resid 49   and name HN  ))
   (  segid " 1SG" and resid 49   and name HD2%)
      4.300     2.300     1.700 peak   734 spectrum    1 weight  0.10000E+01 volume  0.12115E-02 ppm1      9.288 ppm2      1.014 CV     1
 ASSI {  735}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (( segid " 1SG" and resid 72   and name HB2 ))
      3.600     1.600     1.600 peak   735 spectrum    1 weight  0.10000E+01 volume  0.12109E-02 ppm1     10.779 ppm2      2.895 CV     1
 ASSI {  736}
   (( segid " 1SG" and resid 19   and name HN  ))
   (( segid " 1SG" and resid 18   and name HB  ))
      4.000     2.000     2.000 peak   736 spectrum    1 weight  0.10000E+01 volume  0.12093E-02 ppm1      9.827 ppm2      1.919 CV     1
 ASSI {  737}
   (( segid " 1SG" and resid 63   and name HN  ))
   (  segid " 1SG" and resid 63   and name HD% )
      3.900     1.900     1.900 peak   737 spectrum    1 weight  0.10000E+01 volume  0.12042E-02 ppm1      8.518 ppm2      5.900 CV     1
 ASSI {  742}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 15   and name HG1 ))
      4.400     2.400     1.600 peak   742 spectrum    1 weight  0.10000E+01 volume  0.11945E-02 ppm1      8.593 ppm2      2.271 CV     1
 OR {  742}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 15   and name HG2 ))
 ASSI {  745}
   (( segid " 1SG" and resid 53   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
      3.400     1.500     1.500 peak   745 spectrum    1 weight  0.10000E+01 volume  0.11829E-02 ppm1      6.764 ppm2      0.597 CV     1
 OR {  745}
   (( segid " 1SG" and resid 53   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI {  746}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 3    and name HB1 ))
      4.100     2.100     1.900 peak   746 spectrum    1 weight  0.10000E+01 volume  0.11823E-02 ppm1      8.263 ppm2      2.285 CV     1
 OR {  746}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 3    and name HB2 ))
 ASSI {  747}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 49   and name HA  ))
      3.200     1.300     1.300 peak   747 spectrum    1 weight  0.10000E+01 volume  0.11815E-02 ppm1      7.785 ppm2      3.862 CV     1
 ASSI {  748}
   (( segid " 1SG" and resid 73   and name HN  ))
   (  segid " 1SG" and resid 72   and name HD% )
      4.200     2.200     1.800 peak   748 spectrum    1 weight  0.10000E+01 volume  0.11814E-02 ppm1      9.449 ppm2      7.306 CV     1
 ASSI {  751}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 18   and name HN  ))
      3.700     1.800     1.800 peak   751 spectrum    1 weight  0.10000E+01 volume  0.11773E-02 ppm1      8.821 ppm2      8.005 CV     1
 ASSI {  753}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 25   and name HA  ))
      3.100     1.200     1.200 peak   753 spectrum    1 weight  0.10000E+01 volume  0.11730E-02 ppm1      8.399 ppm2      5.688 CV     1
 ASSI {  754}
   (( segid " 1SG" and resid 31   and name HN  ))
   (( segid " 1SG" and resid 31   and name HA  ))
      3.000     1.200     1.200 peak   754 spectrum    1 weight  0.10000E+01 volume  0.11726E-02 ppm1      8.418 ppm2      4.164 CV     1
 ASSI {  755}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 22   and name HB  ))
      3.400     1.500     1.500 peak   755 spectrum    1 weight  0.10000E+01 volume  0.11716E-02 ppm1      8.887 ppm2      1.514 CV     1
 ASSI {  758}
   (( segid " 1SG" and resid 57   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
      3.900     1.900     1.900 peak   758 spectrum    1 weight  0.10000E+01 volume  0.11686E-02 ppm1      7.199 ppm2      0.601 CV     1
 OR {  758}
   (( segid " 1SG" and resid 57   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI {  759}
   (( segid " 1SG" and resid 83   and name HN  ))
   (  segid " 1SG" and resid 104  and name HD2%)
      4.200     2.200     1.800 peak   759 spectrum    1 weight  0.10000E+01 volume  0.11657E-02 ppm1      8.256 ppm2      0.808 CV     1
 ASSI {  760}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 9    and name HB2 ))
      3.700     1.700     1.700 peak   760 spectrum    1 weight  0.10000E+01 volume  0.11627E-02 ppm1      8.888 ppm2      1.892 CV     1
 ASSI {  762}
   (( segid " 1SG" and resid 68   and name HN  ))
   (  segid " 1SG" and resid 66   and name HB% )
      4.800     2.800     1.200 peak   762 spectrum    1 weight  0.10000E+01 volume  0.11550E-02 ppm1      7.875 ppm2      1.403 CV     1
 ASSI {  763}
   (( segid " 1SG" and resid 61   and name HN  ))
   (( segid " 1SG" and resid 60   and name HN  ))
      4.100     2.100     1.900 peak   763 spectrum    1 weight  0.10000E+01 volume  0.11539E-02 ppm1      8.177 ppm2      8.689 CV     1
 ASSI {  764}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 74   and name HB2 ))
      2.900     1.000     1.000 peak   764 spectrum    1 weight  0.10000E+01 volume  0.11516E-02 ppm1      8.470 ppm2     -0.840 CV     1
 ASSI {  765}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 8    and name HA  ))
      3.500     1.600     1.600 peak   765 spectrum    1 weight  0.10000E+01 volume  0.11515E-02 ppm1      7.888 ppm2      4.174 CV     1
 ASSI {  767}
   (( segid " 1SG" and resid 91   and name HN  ))
   (( segid " 1SG" and resid 91   and name HB  ))
      3.200     1.300     1.300 peak   767 spectrum    1 weight  0.10000E+01 volume  0.11452E-02 ppm1      8.474 ppm2      1.131 CV     1
 ASSI {  770}
   (( segid " 1SG" and resid 102  and name HN  ))
   (( segid " 1SG" and resid 88   and name HA  ))
      3.600     1.600     1.600 peak   770 spectrum    1 weight  0.10000E+01 volume  0.11375E-02 ppm1      8.557 ppm2      5.305 CV     1
 ASSI {  771}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 57   and name HG  ))
      4.200     2.200     1.800 peak   771 spectrum    1 weight  0.10000E+01 volume  0.11369E-02 ppm1      7.198 ppm2      0.750 CV     1
 ASSI {  772}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 73   and name HA  ))
      3.100     1.200     1.200 peak   772 spectrum    1 weight  0.10000E+01 volume  0.11367E-02 ppm1      9.448 ppm2      5.466 CV     1
 ASSI {  773}
   (( segid " 1SG" and resid 6    and name HN  ))
   (( segid " 1SG" and resid 6    and name HA  ))
      3.100     1.200     1.200 peak   773 spectrum    1 weight  0.10000E+01 volume  0.11352E-02 ppm1      8.450 ppm2      4.448 CV     1
 ASSI {  774}
   (( segid " 1SG" and resid 12   and name HE21))
   (( segid " 1SG" and resid 12   and name HA  ))
      3.000     1.100     1.100 peak   774 spectrum    1 weight  0.10000E+01 volume  0.11352E-02 ppm1      7.451 ppm2      4.687 CV     1
 ASSI {  775}
   (( segid " 1SG" and resid 10   and name HN  ))
   (( segid " 1SG" and resid 10   and name HB2 ))
      3.600     1.600     1.600 peak   775 spectrum    1 weight  0.10000E+01 volume  0.11337E-02 ppm1      8.853 ppm2      1.250 CV     1
 ASSI {  776}
   (( segid " 1SG" and resid 102  and name HN  ))
   (( segid " 1SG" and resid 87   and name HN  ))
      3.100     1.200     1.200 peak   776 spectrum    1 weight  0.10000E+01 volume  0.11322E-02 ppm1      8.557 ppm2      9.117 CV     1
 ASSI {  777}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 94   and name HG1 ))
      3.400     1.400     1.400 peak   777 spectrum    1 weight  0.10000E+01 volume  0.11309E-02 ppm1      7.971 ppm2      1.402 CV     1
 OR {  777}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 94   and name HG2 ))
 ASSI {  778}
   (( segid " 1SG" and resid 75   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
      3.400     1.400     1.400 peak   778 spectrum    1 weight  0.10000E+01 volume  0.11292E-02 ppm1      9.152 ppm2      0.609 CV     1
 OR {  778}
   (( segid " 1SG" and resid 75   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI {  779}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 49   and name HA  ))
      3.100     1.200     1.200 peak   779 spectrum    1 weight  0.10000E+01 volume  0.11270E-02 ppm1      9.288 ppm2      3.859 CV     1
 ASSI {  782}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 76   and name HG12))
      4.000     2.000     2.000 peak   782 spectrum    1 weight  0.10000E+01 volume  0.11246E-02 ppm1      7.440 ppm2      1.105 CV     1
 ASSI {  783}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 56   and name HB2 ))
      3.800     1.800     1.800 peak   783 spectrum    1 weight  0.10000E+01 volume  0.11245E-02 ppm1      7.198 ppm2      3.101 CV     1
 ASSI {  789}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 97   and name HB2 ))
      3.300     3.300     2.700 peak   789 spectrum    1 weight  0.10000E+01 volume  0.11140E-02 ppm1      7.545 ppm2      2.672 CV     1
 ASSI {  790}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 104  and name HA  ))
      3.200     1.300     1.300 peak   790 spectrum    1 weight  0.10000E+01 volume  0.11125E-02 ppm1      8.792 ppm2      5.431 CV     1
 ASSI {  791}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 53   and name HN  ))
      4.000     2.000     2.000 peak   791 spectrum    1 weight  0.10000E+01 volume  0.11116E-02 ppm1      9.018 ppm2      6.764 CV     1
 ASSI {  792}
   (( segid " 1SG" and resid 104  and name HN  ))
   (  segid " 1SG" and resid 87   and name HE% )
      3.600     1.600     1.600 peak   792 spectrum    1 weight  0.10000E+01 volume  0.11105E-02 ppm1      8.791 ppm2      6.590 CV     1
 ASSI {  794}
   (( segid " 1SG" and resid 84   and name HN  ))
   (( segid " 1SG" and resid 85   and name HN  ))
      3.600     1.600     1.600 peak   794 spectrum    1 weight  0.10000E+01 volume  0.11079E-02 ppm1      7.865 ppm2      9.407 CV     1
 ASSI {  799}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (  segid " 1SG" and resid 39   and name HG2%)
      3.900     1.900     1.900 peak   799 spectrum    1 weight  0.10000E+01 volume  0.10973E-02 ppm1     10.779 ppm2     -0.462 CV     1
 ASSI {  802}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 103  and name HA  ))
      3.200     1.200     1.200 peak   802 spectrum    1 weight  0.10000E+01 volume  0.10911E-02 ppm1      9.242 ppm2      5.536 CV     1
 ASSI {  803}
   (( segid " 1SG" and resid 8    and name HN  ))
   (( segid " 1SG" and resid 8    and name HA  ))
      3.400     1.400     1.400 peak   803 spectrum    1 weight  0.10000E+01 volume  0.10855E-02 ppm1      9.052 ppm2      4.174 CV     1
 ASSI {  805}
   (( segid " 1SG" and resid 30   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG2%)
      4.300     2.300     1.700 peak   805 spectrum    1 weight  0.10000E+01 volume  0.10828E-02 ppm1      8.593 ppm2      0.934 CV     1
 OR {  805}
   (( segid " 1SG" and resid 30   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG1%)
 ASSI {  807}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 57   and name HG  ))
      4.100     2.100     1.900 peak   807 spectrum    1 weight  0.10000E+01 volume  0.10760E-02 ppm1      8.941 ppm2      0.750 CV     1
 ASSI {  808}
   (( segid " 1SG" and resid 80   and name HE22))
   (  segid " 1SG" and resid 18   and name HG1%)
      4.600     2.700     1.400 peak   808 spectrum    1 weight  0.10000E+01 volume  0.10755E-02 ppm1      6.644 ppm2      0.986 CV     1
 ASSI {  810}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 59   and name HA  ))
      3.700     1.700     1.700 peak   810 spectrum    1 weight  0.10000E+01 volume  0.10702E-02 ppm1      9.150 ppm2      5.181 CV     1
 ASSI {  811}
   (( segid " 1SG" and resid 93   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.400     1.400     1.400 peak   811 spectrum    1 weight  0.10000E+01 volume  0.10691E-02 ppm1      8.558 ppm2      0.475 CV     1
 ASSI {  812}
   (( segid " 1SG" and resid 19   and name HN  ))
   (( segid " 1SG" and resid 78   and name HA  ))
      3.300     1.300     1.300 peak   812 spectrum    1 weight  0.10000E+01 volume  0.10684E-02 ppm1      9.829 ppm2      4.106 CV     1
 ASSI {  813}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 38   and name HB  ))
      3.400     1.400     1.400 peak   813 spectrum    1 weight  0.10000E+01 volume  0.10672E-02 ppm1      8.735 ppm2      1.891 CV     1
 ASSI {  814}
   (( segid " 1SG" and resid 43   and name HN  ))
   (  segid " 1SG" and resid 49   and name HD1%)
      3.500     1.500     1.500 peak   814 spectrum    1 weight  0.10000E+01 volume  0.10669E-02 ppm1      8.631 ppm2      1.759 CV     1
 ASSI {  815}
   (( segid " 1SG" and resid 6    and name HN  ))
   (( segid " 1SG" and resid 5    and name HA2 ))
      3.400     1.400     1.400 peak   815 spectrum    1 weight  0.10000E+01 volume  0.10658E-02 ppm1      8.450 ppm2      3.861 CV     1
 OR {  815}
   (( segid " 1SG" and resid 6    and name HN  ))
   (( segid " 1SG" and resid 5    and name HA1 ))
 ASSI {  816}
   (( segid " 1SG" and resid 26   and name HN  ))
   (( segid " 1SG" and resid 72   and name HN  ))
      3.300     1.300     1.300 peak   816 spectrum    1 weight  0.10000E+01 volume  0.10643E-02 ppm1      9.497 ppm2      9.294 CV     1
 ASSI {  817}
   (( segid " 1SG" and resid 46   and name HN  ))
   (( segid " 1SG" and resid 45   and name HA  ))
      3.400     1.500     1.500 peak   817 spectrum    1 weight  0.10000E+01 volume  0.10641E-02 ppm1      8.215 ppm2      3.494 CV     1
 ASSI {  819}
   (( segid " 1SG" and resid 47   and name HN  ))
   (  segid " 1SG" and resid 42   and name HD% )
      3.600     1.600     1.600 peak   819 spectrum    1 weight  0.10000E+01 volume  0.10623E-02 ppm1      7.293 ppm2      6.695 CV     1
 ASSI {  820}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 49   and name HB2 ))
      2.800     1.000     1.000 peak   820 spectrum    1 weight  0.10000E+01 volume  0.10601E-02 ppm1      9.288 ppm2      1.557 CV     1
 ASSI {  822}
   (( segid " 1SG" and resid 29   and name HN  ))
   (( segid " 1SG" and resid 7    and name HA  ))
      3.800     1.800     1.800 peak   822 spectrum    1 weight  0.10000E+01 volume  0.10524E-02 ppm1      8.855 ppm2      4.626 CV     1
 ASSI {  823}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 74   and name HN  ))
      3.400     1.400     1.400 peak   823 spectrum    1 weight  0.10000E+01 volume  0.10521E-02 ppm1      9.240 ppm2      8.469 CV     1
 ASSI {  825}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 40   and name HG1 ))
      4.700     2.700     1.300 peak   825 spectrum    1 weight  0.10000E+01 volume  0.10510E-02 ppm1      9.308 ppm2      1.241 CV     1
 OR {  825}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 40   and name HG2 ))
 ASSI {  826}
   (( segid " 1SG" and resid 64   and name HN  ))
   (  segid " 1SG" and resid 69   and name HG2%)
      4.000     2.000     2.000 peak   826 spectrum    1 weight  0.10000E+01 volume  0.10501E-02 ppm1      7.752 ppm2      0.845 CV     1
 OR {  826}
   (( segid " 1SG" and resid 64   and name HN  ))
   (  segid " 1SG" and resid 69   and name HG1%)
 ASSI {  827}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 9    and name HN  ))
      3.400     1.400     1.400 peak   827 spectrum    1 weight  0.10000E+01 volume  0.10491E-02 ppm1      8.888 ppm2      7.891 CV     1
 ASSI {  828}
   (( segid " 1SG" and resid 58   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD1%)
      4.200     2.200     1.800 peak   828 spectrum    1 weight  0.10000E+01 volume  0.10477E-02 ppm1      8.945 ppm2      0.402 CV     1
 OR {  828}
   (( segid " 1SG" and resid 58   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD2%)
 ASSI {  829}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 42   and name HA  ))
      3.100     1.200     1.200 peak   829 spectrum    1 weight  0.10000E+01 volume  0.10468E-02 ppm1      9.289 ppm2      5.784 CV     1
 ASSI {  830}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 78   and name HB2 ))
      4.200     2.200     1.800 peak   830 spectrum    1 weight  0.10000E+01 volume  0.10439E-02 ppm1      8.973 ppm2      2.375 CV     1
 ASSI {  831}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB1 ))
      4.000     2.000     2.000 peak   831 spectrum    1 weight  0.10000E+01 volume  0.10439E-02 ppm1      8.941 ppm2      1.687 CV     1
 OR {  831}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB2 ))
 ASSI {  832}
   (( segid " 1SG" and resid 70   and name HN  ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      3.200     1.300     1.300 peak   832 spectrum    1 weight  0.10000E+01 volume  0.10431E-02 ppm1      9.273 ppm2      2.816 CV     1
 ASSI {  833}
   (( segid " 1SG" and resid 87   and name HN  ))
   (( segid " 1SG" and resid 87   and name HB2 ))
      3.100     1.200     1.200 peak   833 spectrum    1 weight  0.10000E+01 volume  0.10405E-02 ppm1      9.112 ppm2      0.700 CV     1
 ASSI {  838}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 64   and name HB2 ))
      4.300     2.300     1.700 peak   838 spectrum    1 weight  0.10000E+01 volume  0.10350E-02 ppm1      8.307 ppm2      2.338 CV     1
 ASSI {  839}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 90   and name HN  ))
      3.200     1.300     1.300 peak   839 spectrum    1 weight  0.10000E+01 volume  0.10339E-02 ppm1      8.694 ppm2      9.477 CV     1
 ASSI {  840}
   (( segid " 1SG" and resid 92   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG2%)
      3.800     1.800     1.800 peak   840 spectrum    1 weight  0.10000E+01 volume  0.10329E-02 ppm1      8.735 ppm2     -0.459 CV     1
 ASSI {  841}
   (( segid " 1SG" and resid 68   and name HN  ))
   (( segid " 1SG" and resid 66   and name HN  ))
      4.300     2.300     1.700 peak   841 spectrum    1 weight  0.10000E+01 volume  0.10294E-02 ppm1      7.875 ppm2      8.104 CV     1
 ASSI {  843}
   (( segid " 1SG" and resid 7    and name HN  ))
   (( segid " 1SG" and resid 7    and name HB2 ))
      3.100     1.200     1.200 peak   843 spectrum    1 weight  0.10000E+01 volume  0.10287E-02 ppm1      8.878 ppm2      2.581 CV     1
 ASSI {  844}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 69   and name HN  ))
      3.600     1.700     1.700 peak   844 spectrum    1 weight  0.10000E+01 volume  0.10275E-02 ppm1      7.422 ppm2      6.897 CV     1
 ASSI {  847}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 4    and name HN  ))
      3.600     1.600     1.600 peak   847 spectrum    1 weight  0.10000E+01 volume  0.10231E-02 ppm1      8.112 ppm2      8.269 CV     1
 ASSI {  848}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 39   and name HB  ))
      3.800     1.800     1.800 peak   848 spectrum    1 weight  0.10000E+01 volume  0.10203E-02 ppm1      8.696 ppm2      0.582 CV     1
 ASSI {  852}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 71   and name HA  ))
      3.100     1.200     1.200 peak   852 spectrum    1 weight  0.10000E+01 volume  0.10115E-02 ppm1      8.722 ppm2      5.068 CV     1
 ASSI {  853}
   (( segid " 1SG" and resid 31   and name HN  ))
   (( segid " 1SG" and resid 30   and name HN  ))
      3.200     1.300     1.300 peak   853 spectrum    1 weight  0.10000E+01 volume  0.10112E-02 ppm1      8.414 ppm2      8.590 CV     1
 ASSI {  854}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 80   and name HN  ))
      4.100     2.100     1.900 peak   854 spectrum    1 weight  0.10000E+01 volume  0.10105E-02 ppm1      8.971 ppm2      5.576 CV     1
 ASSI {  859}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 41   and name HA  ))
      3.200     1.300     1.300 peak   859 spectrum    1 weight  0.10000E+01 volume  0.10026E-02 ppm1      9.309 ppm2      5.470 CV     1
 ASSI {  860}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 73   and name HB2 ))
      3.500     1.500     1.500 peak   860 spectrum    1 weight  0.10000E+01 volume  0.10003E-02 ppm1      9.449 ppm2      1.556 CV     1
 ASSI {  861}
   (( segid " 1SG" and resid 20   and name HN  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      2.900     2.900     3.100 peak   861 spectrum    1 weight  0.10000E+01 volume  0.99926E-03 ppm1      8.825 ppm2      1.280 CV     1
 ASSI {  863}
   (( segid " 1SG" and resid 16   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      4.100     2.100     1.900 peak   863 spectrum    1 weight  0.10000E+01 volume  0.99752E-03 ppm1      8.593 ppm2      0.375 CV     1
 ASSI {  864}
   (( segid " 1SG" and resid 26   and name HN  ))
   (( segid " 1SG" and resid 73   and name HA  ))
      3.600     1.600     1.600 peak   864 spectrum    1 weight  0.10000E+01 volume  0.99540E-03 ppm1      9.497 ppm2      5.471 CV     1
 ASSI {  865}
   (( segid " 1SG" and resid 46   and name HN  ))
   (  segid " 1SG" and resid 47   and name HG1%)
      4.800     2.900     1.200 peak   865 spectrum    1 weight  0.10000E+01 volume  0.99494E-03 ppm1      8.216 ppm2      0.967 CV     1
 ASSI {  866}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 46   and name HA  ))
      3.600     1.600     1.600 peak   866 spectrum    1 weight  0.10000E+01 volume  0.99353E-03 ppm1      7.291 ppm2      4.989 CV     1
 ASSI {  872}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 52   and name HB2 ))
      3.900     1.900     1.900 peak   872 spectrum    1 weight  0.10000E+01 volume  0.98792E-03 ppm1      6.764 ppm2      1.716 CV     1
 ASSI {  873}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 76   and name HG12))
      4.200     2.200     1.800 peak   873 spectrum    1 weight  0.10000E+01 volume  0.98708E-03 ppm1      7.198 ppm2      1.092 CV     1
 ASSI {  874}
   (( segid " 1SG" and resid 71   and name HN  ))
   (  segid " 1SG" and resid 63   and name HD% )
      2.900     2.900     3.100 peak   874 spectrum    1 weight  0.10000E+01 volume  0.98463E-03 ppm1      8.724 ppm2      5.900 CV     1
 ASSI {  875}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 104  and name HB2 ))
      3.800     1.800     1.800 peak   875 spectrum    1 weight  0.10000E+01 volume  0.98398E-03 ppm1      8.793 ppm2      1.229 CV     1
 ASSI {  877}
   (( segid " 1SG" and resid 24   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD2%)
      4.300     2.300     1.700 peak   877 spectrum    1 weight  0.10000E+01 volume  0.98153E-03 ppm1      9.239 ppm2      0.410 CV     1
 OR {  877}
   (( segid " 1SG" and resid 24   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI {  879}
   (( segid " 1SG" and resid 96   and name HN  ))
   (  segid " 1SG" and resid 93   and name HG2%)
      2.900     2.900     3.100 peak   879 spectrum    1 weight  0.10000E+01 volume  0.97876E-03 ppm1      7.548 ppm2      1.025 CV     1
 ASSI {  880}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 78   and name HA  ))
      3.400     1.400     1.400 peak   880 spectrum    1 weight  0.10000E+01 volume  0.97792E-03 ppm1      8.826 ppm2      4.088 CV     1
 ASSI {  881}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 41   and name HB2 ))
      2.900     1.100     1.100 peak   881 spectrum    1 weight  0.10000E+01 volume  0.97721E-03 ppm1      9.312 ppm2      3.155 CV     1
 ASSI {  885}
   (( segid " 1SG" and resid 86   and name HN  ))
   (( segid " 1SG" and resid 87   and name HN  ))
      3.800     1.800     1.800 peak   885 spectrum    1 weight  0.10000E+01 volume  0.97154E-03 ppm1      7.947 ppm2      9.112 CV     1
 ASSI {  888}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 105  and name HA  ))
      3.200     1.300     1.300 peak   888 spectrum    1 weight  0.10000E+01 volume  0.96928E-03 ppm1      8.397 ppm2      4.536 CV     1
 ASSI {  889}
   (( segid " 1SG" and resid 58   and name HE22))
   (  segid " 1SG" and resid 77   and name HG2%)
      3.600     1.600     1.600 peak   889 spectrum    1 weight  0.10000E+01 volume  0.96632E-03 ppm1      6.684 ppm2      1.034 CV     1
 ASSI {  890}
   (( segid " 1SG" and resid 58   and name HN  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      4.100     2.100     1.900 peak   890 spectrum    1 weight  0.10000E+01 volume  0.96561E-03 ppm1      8.939 ppm2      1.056 CV     1
 ASSI {  891}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 38   and name HN  ))
      4.000     2.000     2.000 peak   891 spectrum    1 weight  0.10000E+01 volume  0.96445E-03 ppm1      7.893 ppm2      8.374 CV     1
 ASSI {  892}
   (( segid " 1SG" and resid 14   and name HN  ))
   (  segid " 1SG" and resid 22   and name HD1%)
      4.100     2.100     1.900 peak   892 spectrum    1 weight  0.10000E+01 volume  0.96400E-03 ppm1      9.186 ppm2      0.528 CV     1
 ASSI {  894}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 28   and name HA  ))
      3.300     1.400     1.400 peak   894 spectrum    1 weight  0.10000E+01 volume  0.96148E-03 ppm1      9.673 ppm2      4.901 CV     1
 ASSI {  896}
   (( segid " 1SG" and resid 98   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      2.900     1.000     1.000 peak   896 spectrum    1 weight  0.10000E+01 volume  0.96116E-03 ppm1      8.417 ppm2      0.476 CV     1
 ASSI {  897}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 45   and name HA  ))
      4.600     2.600     1.400 peak   897 spectrum    1 weight  0.10000E+01 volume  0.96071E-03 ppm1      7.291 ppm2      3.498 CV     1
 ASSI {  899}
   (( segid " 1SG" and resid 80   and name HE21))
   (  segid " 1SG" and resid 18   and name HG1%)
      4.200     2.200     1.800 peak   899 spectrum    1 weight  0.10000E+01 volume  0.95974E-03 ppm1      6.984 ppm2      0.990 CV     1
 ASSI {  900}
   (( segid " 1SG" and resid 85   and name HN  ))
   (  segid " 1SG" and resid 87   and name HE% )
      3.600     1.600     1.600 peak   900 spectrum    1 weight  0.10000E+01 volume  0.95923E-03 ppm1      9.408 ppm2      6.590 CV     1
 ASSI {  902}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 14   and name HN  ))
      4.100     2.100     1.900 peak   902 spectrum    1 weight  0.10000E+01 volume  0.95826E-03 ppm1      8.503 ppm2      9.185 CV     1
 ASSI {  905}
   (( segid " 1SG" and resid 8    and name HN  ))
   (( segid " 1SG" and resid 28   and name HA  ))
      3.400     1.400     1.400 peak   905 spectrum    1 weight  0.10000E+01 volume  0.95536E-03 ppm1      9.051 ppm2      4.900 CV     1
 ASSI {  906}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 61   and name HN  ))
      4.100     2.100     1.900 peak   906 spectrum    1 weight  0.10000E+01 volume  0.95426E-03 ppm1      8.846 ppm2      8.182 CV     1
 ASSI {  907}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 68   and name HG1 ))
      3.900     1.900     1.900 peak   907 spectrum    1 weight  0.10000E+01 volume  0.95426E-03 ppm1      6.897 ppm2      1.262 CV     1
 OR {  907}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 68   and name HG2 ))
 ASSI {  911}
   (( segid " 1SG" and resid 7    and name HN  ))
   (( segid " 1SG" and resid 7    and name HA  ))
      3.500     1.500     1.500 peak   911 spectrum    1 weight  0.10000E+01 volume  0.94723E-03 ppm1      8.874 ppm2      4.632 CV     1
 ASSI {  913}
   (( segid " 1SG" and resid 100  and name HN  ))
   (( segid " 1SG" and resid 90   and name HB2 ))
      2.900     2.900     3.100 peak   913 spectrum    1 weight  0.10000E+01 volume  0.94446E-03 ppm1      8.888 ppm2      2.040 CV     1
 ASSI {  914}
   (( segid " 1SG" and resid 100  and name HN  ))
   (( segid " 1SG" and resid 99   and name HB2 ))
      3.600     1.600     1.600 peak   914 spectrum    1 weight  0.10000E+01 volume  0.94214E-03 ppm1      8.896 ppm2      2.735 CV     1
 ASSI {  915}
   (( segid " 1SG" and resid 68   and name HN  ))
   (( segid " 1SG" and resid 67   and name HB2 ))
      4.100     2.200     1.900 peak   915 spectrum    1 weight  0.10000E+01 volume  0.93963E-03 ppm1      7.872 ppm2      3.727 CV     1
 OR {  915}
   (( segid " 1SG" and resid 68   and name HN  ))
   (( segid " 1SG" and resid 67   and name HB1 ))
 ASSI {  916}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 36   and name HD2 ))
      4.300     2.300     1.700 peak   916 spectrum    1 weight  0.10000E+01 volume  0.93814E-03 ppm1      7.511 ppm2      3.495 CV     1
 ASSI {  919}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 103  and name HD22))
      4.000     2.000     2.000 peak   919 spectrum    1 weight  0.10000E+01 volume  0.93492E-03 ppm1      9.241 ppm2      6.759 CV     1
 ASSI {  920}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 16   and name HN  ))
      4.000     2.000     2.000 peak   920 spectrum    1 weight  0.10000E+01 volume  0.93479E-03 ppm1      8.401 ppm2      8.591 CV     1
 ASSI {  922}
   (( segid " 1SG" and resid 84   and name HN  ))
   (( segid " 1SG" and resid 106  and name HB  ))
      4.400     2.400     1.600 peak   922 spectrum    1 weight  0.10000E+01 volume  0.93247E-03 ppm1      7.867 ppm2      1.848 CV     1
 ASSI {  929}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 62   and name HB2 ))
      3.500     1.500     1.500 peak   929 spectrum    1 weight  0.10000E+01 volume  0.92693E-03 ppm1      8.847 ppm2      3.809 CV     1
 ASSI {  930}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 43   and name HN  ))
      3.300     1.300     1.300 peak   930 spectrum    1 weight  0.10000E+01 volume  0.92609E-03 ppm1      7.291 ppm2      8.632 CV     1
 ASSI {  931}
   (( segid " 1SG" and resid 59   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
      3.500     1.500     1.500 peak   931 spectrum    1 weight  0.10000E+01 volume  0.92583E-03 ppm1      8.380 ppm2      0.601 CV     1
 OR {  931}
   (( segid " 1SG" and resid 59   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI {  936}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (( segid " 1SG" and resid 39   and name HB  ))
      3.500     1.500     1.500 peak   936 spectrum    1 weight  0.10000E+01 volume  0.92222E-03 ppm1     10.779 ppm2      0.593 CV     1
 ASSI {  939}
   (( segid " 1SG" and resid 84   and name HN  ))
   (( segid " 1SG" and resid 81   and name HA  ))
      4.700     2.800     1.300 peak   939 spectrum    1 weight  0.10000E+01 volume  0.91861E-03 ppm1      7.866 ppm2      3.996 CV     1
 ASSI {  940}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 96   and name HG1 ))
      3.300     1.300     1.300 peak   940 spectrum    1 weight  0.10000E+01 volume  0.91854E-03 ppm1      8.106 ppm2      1.324 CV     1
 OR {  940}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 96   and name HG2 ))
 ASSI {  941}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 25   and name HA  ))
      3.700     1.800     1.800 peak   941 spectrum    1 weight  0.10000E+01 volume  0.91777E-03 ppm1      8.472 ppm2      5.686 CV     1
 ASSI {  943}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 43   and name HG2 ))
      3.600     1.700     1.700 peak   943 spectrum    1 weight  0.10000E+01 volume  0.91248E-03 ppm1      8.211 ppm2      0.071 CV     1
 ASSI {  944}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 59   and name HN  ))
      3.700     1.800     1.800 peak   944 spectrum    1 weight  0.10000E+01 volume  0.90713E-03 ppm1      8.685 ppm2      8.389 CV     1
 ASSI {  946}
   (( segid " 1SG" and resid 90   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG2%)
      4.300     2.400     1.700 peak   946 spectrum    1 weight  0.10000E+01 volume  0.90127E-03 ppm1      9.489 ppm2     -0.473 CV     1
 ASSI {  947}
   (( segid " 1SG" and resid 23   and name HN  ))
   (( segid " 1SG" and resid 22   and name HN  ))
      3.900     1.900     1.900 peak   947 spectrum    1 weight  0.10000E+01 volume  0.89920E-03 ppm1      7.911 ppm2      8.899 CV     1
 ASSI {  951}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 73   and name HB2 ))
      4.000     2.000     2.000 peak   951 spectrum    1 weight  0.10000E+01 volume  0.89424E-03 ppm1      8.467 ppm2      1.552 CV     1
 ASSI {  952}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 72   and name HB2 ))
      4.000     2.000     2.000 peak   952 spectrum    1 weight  0.10000E+01 volume  0.89321E-03 ppm1      8.896 ppm2      2.884 CV     1
 ASSI {  953}
   (( segid " 1SG" and resid 82   and name HN  ))
   (( segid " 1SG" and resid 82   and name HA  ))
      3.500     1.500     1.500 peak   953 spectrum    1 weight  0.10000E+01 volume  0.89282E-03 ppm1      8.017 ppm2      4.202 CV     1
 ASSI {  955}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 91   and name HB  ))
      4.100     2.100     1.900 peak   955 spectrum    1 weight  0.10000E+01 volume  0.89179E-03 ppm1      8.733 ppm2      1.128 CV     1
 ASSI {  963}
   (( segid " 1SG" and resid 72   and name HN  ))
   (( segid " 1SG" and resid 72   and name HA  ))
      3.200     1.200     1.200 peak   963 spectrum    1 weight  0.10000E+01 volume  0.88218E-03 ppm1      9.295 ppm2      5.368 CV     1
 ASSI {  964}
   (( segid " 1SG" and resid 87   and name HN  ))
   (( segid " 1SG" and resid 87   and name HA  ))
      3.300     1.300     1.300 peak   964 spectrum    1 weight  0.10000E+01 volume  0.88089E-03 ppm1      9.110 ppm2      4.975 CV     1
 ASSI {  967}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 17   and name HN  ))
      4.100     2.100     1.900 peak   967 spectrum    1 weight  0.10000E+01 volume  0.87754E-03 ppm1      8.592 ppm2      7.900 CV     1
 ASSI {  968}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 40   and name HN  ))
      3.900     1.900     1.900 peak   968 spectrum    1 weight  0.10000E+01 volume  0.87528E-03 ppm1      7.893 ppm2      8.706 CV     1
 ASSI {  971}
   (( segid " 1SG" and resid 33   and name HN  ))
   (  segid " 1SG" and resid 33   and name HD2%)
      3.500     1.500     1.500 peak   971 spectrum    1 weight  0.10000E+01 volume  0.87264E-03 ppm1      7.611 ppm2      0.876 CV     1
 OR {  971}
   (( segid " 1SG" and resid 33   and name HN  ))
   (  segid " 1SG" and resid 33   and name HD1%)
 ASSI {  972}
   (( segid " 1SG" and resid 72   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD2%)
      2.900     2.900     3.100 peak   972 spectrum    1 weight  0.10000E+01 volume  0.87238E-03 ppm1      9.295 ppm2      0.738 CV     1
 ASSI {  973}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 104  and name HG  ))
      3.500     1.600     1.600 peak   973 spectrum    1 weight  0.10000E+01 volume  0.87206E-03 ppm1      8.401 ppm2      1.329 CV     1
 ASSI {  975}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 42   and name HN  ))
      3.300     1.400     1.400 peak   975 spectrum    1 weight  0.10000E+01 volume  0.86993E-03 ppm1      9.108 ppm2      9.450 CV     1
 ASSI {  976}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 74   and name HB2 ))
      4.200     2.200     1.800 peak   976 spectrum    1 weight  0.10000E+01 volume  0.86838E-03 ppm1      9.150 ppm2     -0.838 CV     1
 ASSI {  977}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 87   and name HB2 ))
      4.200     2.200     1.800 peak   977 spectrum    1 weight  0.10000E+01 volume  0.86387E-03 ppm1      9.107 ppm2      0.710 CV     1
 ASSI {  979}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 46   and name HB2 ))
      3.900     1.900     1.900 peak   979 spectrum    1 weight  0.10000E+01 volume  0.85974E-03 ppm1      7.292 ppm2      3.055 CV     1
 ASSI {  980}
   (( segid " 1SG" and resid 10   and name HN  ))
   (( segid " 1SG" and resid 9    and name HG2 ))
      3.900     1.900     1.900 peak   980 spectrum    1 weight  0.10000E+01 volume  0.85955E-03 ppm1      8.851 ppm2      2.507 CV     1
 ASSI {  984}
   (( segid " 1SG" and resid 107  and name HN  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      4.500     2.500     1.500 peak   984 spectrum    1 weight  0.10000E+01 volume  0.85304E-03 ppm1      8.820 ppm2      1.285 CV     1
 ASSI {  986}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 52   and name HG1 ))
      3.500     1.500     1.500 peak   986 spectrum    1 weight  0.10000E+01 volume  0.85040E-03 ppm1      6.765 ppm2      1.329 CV     1
 OR {  986}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 52   and name HG2 ))
 ASSI {  990}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 77   and name HN  ))
      4.000     2.000     2.000 peak   990 spectrum    1 weight  0.10000E+01 volume  0.84711E-03 ppm1      8.053 ppm2      8.718 CV     1
 ASSI {  991}
   (( segid " 1SG" and resid 97   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.900     1.900     1.900 peak   991 spectrum    1 weight  0.10000E+01 volume  0.84679E-03 ppm1      8.063 ppm2      0.474 CV     1
 ASSI {  992}
   (( segid " 1SG" and resid 90   and name HN  ))
   (( segid " 1SG" and resid 90   and name HB2 ))
      3.300     1.300     1.300 peak   992 spectrum    1 weight  0.10000E+01 volume  0.84646E-03 ppm1      9.489 ppm2      2.034 CV     1
 ASSI {  993}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 49   and name HG  ))
      4.200     2.200     1.800 peak   993 spectrum    1 weight  0.10000E+01 volume  0.84614E-03 ppm1      8.941 ppm2      0.789 CV     1
 ASSI {  994}
   (( segid " 1SG" and resid 22   and name HN  ))
   (  segid " 1SG" and resid 77   and name HG2%)
      3.900     1.900     1.900 peak   994 spectrum    1 weight  0.10000E+01 volume  0.84421E-03 ppm1      8.888 ppm2      1.018 CV     1
 ASSI {  996}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 43   and name HB2 ))
      3.700     1.700     1.700 peak   996 spectrum    1 weight  0.10000E+01 volume  0.84279E-03 ppm1      8.628 ppm2      1.216 CV     1
 ASSI {  997}
   (( segid " 1SG" and resid 20   and name HN  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      3.600     1.600     1.600 peak   997 spectrum    1 weight  0.10000E+01 volume  0.84189E-03 ppm1      8.825 ppm2      0.602 CV     1
 ASSI {  998}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 18   and name HA  ))
      3.900     1.900     1.900 peak   998 spectrum    1 weight  0.10000E+01 volume  0.83595E-03 ppm1      8.973 ppm2      3.481 CV     1
 ASSI { 1001}
   (( segid " 1SG" and resid 28   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG2%)
      4.000     2.000     2.000 peak  1001 spectrum    1 weight  0.10000E+01 volume  0.83299E-03 ppm1      9.673 ppm2      0.941 CV     1
 OR { 1001}
   (( segid " 1SG" and resid 28   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG1%)
 ASSI { 1002}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 2    and name HA  ))
      3.700     1.700     1.700 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.83170E-03 ppm1      8.264 ppm2      4.901 CV     1
 ASSI { 1003}
   (( segid " 1SG" and resid 105  and name HN  ))
   (  segid " 1SG" and resid 104  and name HD2%)
      4.000     2.000     2.000 peak  1003 spectrum    1 weight  0.10000E+01 volume  0.82512E-03 ppm1      8.399 ppm2      0.818 CV     1
 ASSI { 1004}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 57   and name HG  ))
      4.100     2.100     1.900 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.82454E-03 ppm1      6.764 ppm2      0.753 CV     1
 ASSI { 1008}
   (( segid " 1SG" and resid 78   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      4.300     2.300     1.700 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.82216E-03 ppm1      8.053 ppm2      1.176 CV     1
 ASSI { 1009}
   (( segid " 1SG" and resid 27   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG2%)
      4.400     2.400     1.600 peak  1009 spectrum    1 weight  0.10000E+01 volume  0.82196E-03 ppm1      8.893 ppm2      0.948 CV     1
 OR { 1009}
   (( segid " 1SG" and resid 27   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG1%)
 ASSI { 1013}
   (( segid " 1SG" and resid 46   and name HN  ))
   (( segid " 1SG" and resid 46   and name HA  ))
      3.300     1.400     1.400 peak  1013 spectrum    1 weight  0.10000E+01 volume  0.82009E-03 ppm1      8.217 ppm2      4.976 CV     1
 ASSI { 1014}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 21   and name HN  ))
      4.100     2.100     1.900 peak  1014 spectrum    1 weight  0.10000E+01 volume  0.81964E-03 ppm1      8.891 ppm2      8.169 CV     1
 ASSI { 1015}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 74   and name HA  ))
      3.200     1.300     1.300 peak  1015 spectrum    1 weight  0.10000E+01 volume  0.81913E-03 ppm1      8.470 ppm2      4.333 CV     1
 ASSI { 1016}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (  segid " 1SG" and resid 47   and name HG1%)
      4.300     2.300     1.700 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.81784E-03 ppm1     10.115 ppm2      0.962 CV     1
 ASSI { 1017}
   (( segid " 1SG" and resid 38   and name HN  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      3.900     1.900     1.900 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.81513E-03 ppm1      8.375 ppm2      0.173 CV     1
 ASSI { 1018}
   (( segid " 1SG" and resid 98   and name HN  ))
   (  segid " 1SG" and resid 97   and name HD% )
      3.700     1.700     1.700 peak  1018 spectrum    1 weight  0.10000E+01 volume  0.81332E-03 ppm1      8.417 ppm2      7.087 CV     1
 ASSI { 1019}
   (( segid " 1SG" and resid 104  and name HN  ))
   (  segid " 1SG" and resid 104  and name HD2%)
      4.200     2.200     1.800 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.81094E-03 ppm1      8.795 ppm2      0.813 CV     1
 ASSI { 1020}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 57   and name HN  ))
      3.200     1.300     1.300 peak  1020 spectrum    1 weight  0.10000E+01 volume  0.81042E-03 ppm1      7.433 ppm2      7.207 CV     1
 ASSI { 1022}
   (( segid " 1SG" and resid 101  and name HN  ))
   (( segid " 1SG" and resid 101  and name HB2 ))
      4.200     2.200     1.800 peak  1022 spectrum    1 weight  0.10000E+01 volume  0.80888E-03 ppm1      9.044 ppm2      2.699 CV     1
 ASSI { 1026}
   (( segid " 1SG" and resid 91   and name HN  ))
   (( segid " 1SG" and resid 99   and name HA  ))
      3.800     1.800     1.800 peak  1026 spectrum    1 weight  0.10000E+01 volume  0.80443E-03 ppm1      8.474 ppm2      5.702 CV     1
 ASSI { 1027}
   (( segid " 1SG" and resid 18   and name HN  ))
   (( segid " 1SG" and resid 107  and name HB1 ))
      4.300     2.300     1.700 peak  1027 spectrum    1 weight  0.10000E+01 volume  0.80391E-03 ppm1      8.006 ppm2      3.075 CV     1
 OR { 1027}
   (( segid " 1SG" and resid 18   and name HN  ))
   (( segid " 1SG" and resid 107  and name HB2 ))
 ASSI { 1028}
   (( segid " 1SG" and resid 12   and name HN  ))
   (( segid " 1SG" and resid 11   and name HB2 ))
      3.600     1.600     1.600 peak  1028 spectrum    1 weight  0.10000E+01 volume  0.80236E-03 ppm1      8.345 ppm2      0.920 CV     1
 ASSI { 1029}
   (( segid " 1SG" and resid 42   and name HN  ))
   (( segid " 1SG" and resid 42   and name HB2 ))
      3.600     1.600     1.600 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.80230E-03 ppm1      9.448 ppm2      2.466 CV     1
 ASSI { 1031}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 70   and name HN  ))
      3.900     1.900     1.900 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.80114E-03 ppm1      6.898 ppm2      9.268 CV     1
 ASSI { 1035}
   (( segid " 1SG" and resid 84   and name HN  ))
   (( segid " 1SG" and resid 106  and name HN  ))
      4.000     2.000     2.000 peak  1035 spectrum    1 weight  0.10000E+01 volume  0.79643E-03 ppm1      7.865 ppm2      8.160 CV     1
 ASSI { 1036}
   (( segid " 1SG" and resid 51   and name HN  ))
   (( segid " 1SG" and resid 49   and name HA  ))
      3.700     1.700     1.700 peak  1036 spectrum    1 weight  0.10000E+01 volume  0.79405E-03 ppm1      7.877 ppm2      3.864 CV     1
 ASSI { 1039}
   (( segid " 1SG" and resid 65   and name HN  ))
   (  segid " 1SG" and resid 66   and name HB% )
      4.400     2.400     1.600 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.79057E-03 ppm1      8.306 ppm2      1.408 CV     1
 ASSI { 1040}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      4.100     2.100     1.900 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.78992E-03 ppm1      8.721 ppm2      2.808 CV     1
 ASSI { 1041}
   (( segid " 1SG" and resid 70   and name HN  ))
   (( segid " 1SG" and resid 69   and name HB  ))
      3.900     1.900     1.900 peak  1041 spectrum    1 weight  0.10000E+01 volume  0.78754E-03 ppm1      9.274 ppm2      1.751 CV     1
 ASSI { 1042}
   (( segid " 1SG" and resid 84   and name HN  ))
   (( segid " 1SG" and resid 83   and name HB2 ))
      4.100     2.200     1.900 peak  1042 spectrum    1 weight  0.10000E+01 volume  0.78715E-03 ppm1      7.868 ppm2      3.172 CV     1
 ASSI { 1043}
   (( segid " 1SG" and resid 30   and name HN  ))
   (  segid " 1SG" and resid 70   and name HD% )
      3.700     1.700     1.700 peak  1043 spectrum    1 weight  0.10000E+01 volume  0.78605E-03 ppm1      8.592 ppm2      7.062 CV     1
 ASSI { 1045}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 81   and name HA  ))
      3.600     1.600     1.600 peak  1045 spectrum    1 weight  0.10000E+01 volume  0.78180E-03 ppm1      8.255 ppm2      3.992 CV     1
 ASSI { 1046}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 99   and name HA  ))
      3.500     1.500     1.500 peak  1046 spectrum    1 weight  0.10000E+01 volume  0.77890E-03 ppm1      9.230 ppm2      5.702 CV     1
 ASSI { 1047}
   (( segid " 1SG" and resid 84   and name HN  ))
   (  segid " 1SG" and resid 104  and name HD2%)
      4.000     2.000     2.000 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.77864E-03 ppm1      7.867 ppm2      0.812 CV     1
 ASSI { 1049}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 54   and name HN  ))
      3.600     1.700     1.700 peak  1049 spectrum    1 weight  0.10000E+01 volume  0.77619E-03 ppm1      7.434 ppm2      9.012 CV     1
 ASSI { 1051}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 19   and name HA1 ))
      4.700     2.800     1.300 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.77458E-03 ppm1      8.051 ppm2      4.254 CV     1
 ASSI { 1052}
   (( segid " 1SG" and resid 46   and name HN  ))
   (( segid " 1SG" and resid 46   and name HB2 ))
      3.900     1.900     1.900 peak  1052 spectrum    1 weight  0.10000E+01 volume  0.77329E-03 ppm1      8.216 ppm2      3.056 CV     1
 ASSI { 1054}
   (( segid " 1SG" and resid 62   and name HN  ))
   (  segid " 1SG" and resid 72   and name HD% )
      4.200     2.200     1.800 peak  1054 spectrum    1 weight  0.10000E+01 volume  0.77084E-03 ppm1      8.848 ppm2      7.306 CV     1
 ASSI { 1055}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HD2 ))
      3.700     1.700     1.700 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.77045E-03 ppm1      8.305 ppm2      3.228 CV     1
 OR { 1055}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HD1 ))
 ASSI { 1057}
   (( segid " 1SG" and resid 72   and name HN  ))
   (  segid " 1SG" and resid 26   and name HB% )
      3.800     1.800     1.800 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.76884E-03 ppm1      9.293 ppm2      1.455 CV     1
 ASSI { 1059}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 23   and name HB  ))
      4.300     2.300     1.700 peak  1059 spectrum    1 weight  0.10000E+01 volume  0.76561E-03 ppm1      9.239 ppm2      3.585 CV     1
 ASSI { 1060}
   (( segid " 1SG" and resid 70   and name HN  ))
   (( segid " 1SG" and resid 28   and name HN  ))
      3.400     1.500     1.500 peak  1060 spectrum    1 weight  0.10000E+01 volume  0.76529E-03 ppm1      9.269 ppm2      9.678 CV     1
 ASSI { 1061}
   (( segid " 1SG" and resid 46   and name HN  ))
   (( segid " 1SG" and resid 45   and name HB2 ))
      3.300     1.300     1.300 peak  1061 spectrum    1 weight  0.10000E+01 volume  0.76426E-03 ppm1      8.213 ppm2      0.596 CV     1
 OR { 1061}
   (( segid " 1SG" and resid 46   and name HN  ))
   (( segid " 1SG" and resid 45   and name HG2 ))
 ASSI { 1062}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 74   and name HA  ))
      3.700     1.700     1.700 peak  1062 spectrum    1 weight  0.10000E+01 volume  0.76316E-03 ppm1      8.687 ppm2      4.333 CV     1
 ASSI { 1065}
   (( segid " 1SG" and resid 85   and name HN  ))
   (( segid " 1SG" and resid 104  and name HG  ))
      3.900     1.900     1.900 peak  1065 spectrum    1 weight  0.10000E+01 volume  0.75910E-03 ppm1      9.407 ppm2      1.334 CV     1
 ASSI { 1071}
   (( segid " 1SG" and resid 7    and name HN  ))
   (( segid " 1SG" and resid 6    and name HA  ))
      3.600     1.600     1.600 peak  1071 spectrum    1 weight  0.10000E+01 volume  0.75285E-03 ppm1      8.878 ppm2      4.443 CV     1
 ASSI { 1073}
   (( segid " 1SG" and resid 19   and name HN  ))
   (( segid " 1SG" and resid 18   and name HN  ))
      4.300     2.300     1.700 peak  1073 spectrum    1 weight  0.10000E+01 volume  0.74904E-03 ppm1      9.828 ppm2      8.006 CV     1
 ASSI { 1077}
   (( segid " 1SG" and resid 62   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD2%)
      4.300     2.300     1.700 peak  1077 spectrum    1 weight  0.10000E+01 volume  0.74440E-03 ppm1      8.848 ppm2      0.735 CV     1
 ASSI { 1078}
   (( segid " 1SG" and resid 72   and name HN  ))
   (( segid " 1SG" and resid 27   and name HA  ))
      3.700     1.700     1.700 peak  1078 spectrum    1 weight  0.10000E+01 volume  0.74389E-03 ppm1      9.296 ppm2      5.831 CV     1
 ASSI { 1079}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 67   and name HB2 ))
      4.300     2.300     1.700 peak  1079 spectrum    1 weight  0.10000E+01 volume  0.74273E-03 ppm1      6.900 ppm2      3.732 CV     1
 OR { 1079}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 67   and name HB1 ))
 ASSI { 1080}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 55   and name HA  ))
      3.500     1.600     1.600 peak  1080 spectrum    1 weight  0.10000E+01 volume  0.74202E-03 ppm1      7.434 ppm2      3.988 CV     1
 ASSI { 1081}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 105  and name HB  ))
      4.100     2.100     1.900 peak  1081 spectrum    1 weight  0.10000E+01 volume  0.74163E-03 ppm1      8.593 ppm2      3.930 CV     1
 ASSI { 1082}
   (( segid " 1SG" and resid 77   and name HN  ))
   (( segid " 1SG" and resid 76   and name HB  ))
      4.200     2.200     1.800 peak  1082 spectrum    1 weight  0.10000E+01 volume  0.74144E-03 ppm1      8.711 ppm2      1.910 CV     1
 ASSI { 1083}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 21   and name HA  ))
      4.000     2.000     2.000 peak  1083 spectrum    1 weight  0.10000E+01 volume  0.74086E-03 ppm1      8.972 ppm2      5.495 CV     1
 ASSI { 1084}
   (( segid " 1SG" and resid 80   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      4.200     2.200     1.800 peak  1084 spectrum    1 weight  0.10000E+01 volume  0.74060E-03 ppm1      5.579 ppm2      1.174 CV     1
 ASSI { 1086}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 58   and name HA  ))
      3.600     1.600     1.600 peak  1086 spectrum    1 weight  0.10000E+01 volume  0.73963E-03 ppm1      9.017 ppm2      4.624 CV     1
 ASSI { 1088}
   (( segid " 1SG" and resid 85   and name HN  ))
   (  segid " 1SG" and resid 104  and name HD2%)
      3.600     1.600     1.600 peak  1088 spectrum    1 weight  0.10000E+01 volume  0.73789E-03 ppm1      9.407 ppm2      0.814 CV     1
 ASSI { 1092}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 72   and name HB2 ))
      4.400     2.400     1.600 peak  1092 spectrum    1 weight  0.10000E+01 volume  0.73376E-03 ppm1      9.451 ppm2      2.893 CV     1
 ASSI { 1095}
   (( segid " 1SG" and resid 90   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG1%)
      2.800     1.000     1.000 peak  1095 spectrum    1 weight  0.10000E+01 volume  0.34142E-02 ppm1      9.489 ppm2     -0.081 CV     1
 ASSI { 1099}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 46   and name HD1 ))
      3.800     1.800     1.800 peak  1099 spectrum    1 weight  0.10000E+01 volume  0.72338E-03 ppm1      7.291 ppm2      7.129 CV     1
 ASSI { 1101}
   (( segid " 1SG" and resid 43   and name HN  ))
   (  segid " 1SG" and resid 42   and name HD% )
      3.600     1.600     1.600 peak  1101 spectrum    1 weight  0.10000E+01 volume  0.72203E-03 ppm1      8.628 ppm2      6.700 CV     1
 ASSI { 1102}
   (( segid " 1SG" and resid 93   and name HN  ))
   (( segid " 1SG" and resid 92   and name HN  ))
      4.000     2.000     2.000 peak  1102 spectrum    1 weight  0.10000E+01 volume  0.72158E-03 ppm1      8.556 ppm2      8.734 CV     1
 ASSI { 1105}
   (( segid " 1SG" and resid 48   and name HN  ))
   (  segid " 1SG" and resid 42   and name HD% )
      4.200     2.200     1.800 peak  1105 spectrum    1 weight  0.10000E+01 volume  0.71436E-03 ppm1      8.396 ppm2      6.693 CV     1
 ASSI { 1106}
   (( segid " 1SG" and resid 90   and name HN  ))
   (( segid " 1SG" and resid 89   and name HB2 ))
      4.500     2.500     1.500 peak  1106 spectrum    1 weight  0.10000E+01 volume  0.71429E-03 ppm1      9.488 ppm2      2.324 CV     1
 ASSI { 1109}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 89   and name HB2 ))
      3.400     1.500     1.500 peak  1109 spectrum    1 weight  0.10000E+01 volume  0.71230E-03 ppm1      8.977 ppm2      2.309 CV     1
 ASSI { 1114}
   (( segid " 1SG" and resid 40   and name HN  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      4.900     3.000     1.100 peak  1114 spectrum    1 weight  0.10000E+01 volume  0.70578E-03 ppm1      8.695 ppm2      0.172 CV     1
 ASSI { 1115}
   (( segid " 1SG" and resid 96   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.800     1.800     1.800 peak  1115 spectrum    1 weight  0.10000E+01 volume  0.70250E-03 ppm1      7.545 ppm2      0.466 CV     1
 ASSI { 1116}
   (( segid " 1SG" and resid 78   and name HN  ))
   (  segid " 1SG" and resid 76   and name HG2%)
      4.000     2.000     2.000 peak  1116 spectrum    1 weight  0.10000E+01 volume  0.69921E-03 ppm1      8.055 ppm2      0.789 CV     1
 ASSI { 1117}
   (( segid " 1SG" and resid 64   and name HN  ))
   (( segid " 1SG" and resid 63   and name HB2 ))
      4.700     2.800     1.300 peak  1117 spectrum    1 weight  0.10000E+01 volume  0.69779E-03 ppm1      7.754 ppm2      2.540 CV     1
 ASSI { 1118}
   (( segid " 1SG" and resid 33   and name HN  ))
   (( segid " 1SG" and resid 32   and name HA  ))
      3.600     1.600     1.600 peak  1118 spectrum    1 weight  0.10000E+01 volume  0.69676E-03 ppm1      7.614 ppm2      4.515 CV     1
 ASSI { 1119}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 72   and name HN  ))
      4.200     2.200     1.800 peak  1119 spectrum    1 weight  0.10000E+01 volume  0.69598E-03 ppm1      9.450 ppm2      9.298 CV     1
 ASSI { 1120}
   (( segid " 1SG" and resid 50   and name HN  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      3.800     1.800     1.800 peak  1120 spectrum    1 weight  0.10000E+01 volume  0.69373E-03 ppm1      8.939 ppm2      1.056 CV     1
 ASSI { 1122}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 40   and name HD2 ))
      4.000     2.000     2.000 peak  1122 spectrum    1 weight  0.10000E+01 volume  0.69199E-03 ppm1      8.978 ppm2      1.704 CV     1
 OR { 1122}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 40   and name HD1 ))
 ASSI { 1124}
   (( segid " 1SG" and resid 84   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      5.100     3.300     0.900 peak  1124 spectrum    1 weight  0.10000E+01 volume  0.69121E-03 ppm1      7.861 ppm2      0.372 CV     1
 ASSI { 1127}
   (( segid " 1SG" and resid 30   and name HN  ))
   (  segid " 1SG" and resid 70   and name HE% )
      4.000     2.000     2.000 peak  1127 spectrum    1 weight  0.10000E+01 volume  0.68786E-03 ppm1      8.590 ppm2      6.626 CV     1
 ASSI { 1128}
   (( segid " 1SG" and resid 6    and name HN  ))
   (  segid " 1SG" and resid 6    and name HD1%)
      4.000     2.000     2.000 peak  1128 spectrum    1 weight  0.10000E+01 volume  0.68676E-03 ppm1      8.452 ppm2      0.650 CV     1
 ASSI { 1130}
   (( segid " 1SG" and resid 52   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
      4.500     2.500     1.500 peak  1130 spectrum    1 weight  0.10000E+01 volume  0.68573E-03 ppm1      7.782 ppm2      0.598 CV     1
 OR { 1130}
   (( segid " 1SG" and resid 52   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI { 1132}
   (( segid " 1SG" and resid 51   and name HN  ))
   (( segid " 1SG" and resid 52   and name HG1 ))
      4.700     2.800     1.300 peak  1132 spectrum    1 weight  0.10000E+01 volume  0.68477E-03 ppm1      7.881 ppm2      1.329 CV     1
 OR { 1132}
   (( segid " 1SG" and resid 51   and name HN  ))
   (( segid " 1SG" and resid 52   and name HG2 ))
 ASSI { 1134}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 43   and name HA  ))
      3.500     1.500     1.500 peak  1134 spectrum    1 weight  0.10000E+01 volume  0.68373E-03 ppm1      8.628 ppm2      4.137 CV     1
 ASSI { 1135}
   (( segid " 1SG" and resid 102  and name HN  ))
   (  segid " 1SG" and resid 102  and name HD% )
      3.600     1.600     1.600 peak  1135 spectrum    1 weight  0.10000E+01 volume  0.68354E-03 ppm1      8.559 ppm2      6.774 CV     1
 ASSI { 1136}
   (( segid " 1SG" and resid 85   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG1%)
      4.300     2.300     1.700 peak  1136 spectrum    1 weight  0.10000E+01 volume  0.68270E-03 ppm1      9.402 ppm2      0.679 CV     1
 ASSI { 1139}
   (( segid " 1SG" and resid 97   and name HN  ))
   (  segid " 1SG" and resid 97   and name HD% )
      4.600     2.600     1.400 peak  1139 spectrum    1 weight  0.10000E+01 volume  0.68154E-03 ppm1      8.059 ppm2      7.095 CV     1
 ASSI { 1147}
   (( segid " 1SG" and resid 6    and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      4.300     2.300     1.700 peak  1147 spectrum    1 weight  0.10000E+01 volume  0.67645E-03 ppm1      8.450 ppm2      0.473 CV     1
 ASSI { 1148}
   (( segid " 1SG" and resid 100  and name HN  ))
   (( segid " 1SG" and resid 100  and name HB2 ))
      3.900     1.900     1.900 peak  1148 spectrum    1 weight  0.10000E+01 volume  0.67574E-03 ppm1      8.896 ppm2      2.949 CV     1
 ASSI { 1149}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 94   and name HD1 ))
      3.000     3.000     3.000 peak  1149 spectrum    1 weight  0.10000E+01 volume  0.67445E-03 ppm1      7.966 ppm2      1.675 CV     1
 OR { 1149}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 94   and name HD2 ))
 ASSI { 1150}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 7    and name HB2 ))
      3.100     3.100     2.900 peak  1150 spectrum    1 weight  0.10000E+01 volume  0.67419E-03 ppm1      7.886 ppm2      2.575 CV     1
 ASSI { 1151}
   (( segid " 1SG" and resid 105  and name HN  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      4.100     2.100     1.900 peak  1151 spectrum    1 weight  0.10000E+01 volume  0.67361E-03 ppm1      8.397 ppm2      0.598 CV     1
 ASSI { 1153}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 49   and name HB2 ))
      4.400     2.400     1.600 peak  1153 spectrum    1 weight  0.10000E+01 volume  0.66981E-03 ppm1      6.765 ppm2      1.541 CV     1
 ASSI { 1154}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 104  and name HG  ))
      4.300     2.300     1.700 peak  1154 spectrum    1 weight  0.10000E+01 volume  0.66936E-03 ppm1      8.795 ppm2      1.331 CV     1
 ASSI { 1155}
   (( segid " 1SG" and resid 17   and name HN  ))
   (( segid " 1SG" and resid 20   and name HA1 ))
      3.600     1.600     1.600 peak  1155 spectrum    1 weight  0.10000E+01 volume  0.66716E-03 ppm1      7.901 ppm2      3.729 CV     1
 ASSI { 1156}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 94   and name HA  ))
      4.700     2.700     1.300 peak  1156 spectrum    1 weight  0.10000E+01 volume  0.66710E-03 ppm1      7.545 ppm2      4.046 CV     1
 ASSI { 1159}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (  segid " 1SG" and resid 47   and name HG2%)
      4.400     2.400     1.600 peak  1159 spectrum    1 weight  0.10000E+01 volume  0.66633E-03 ppm1     10.119 ppm2      0.784 CV     1
 ASSI { 1160}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 29   and name HN  ))
      4.100     2.100     1.900 peak  1160 spectrum    1 weight  0.10000E+01 volume  0.66529E-03 ppm1      9.673 ppm2      8.869 CV     1
 ASSI { 1161}
   (( segid " 1SG" and resid 21   and name HN  ))
   (( segid " 1SG" and resid 77   and name HA  ))
      4.700     2.800     1.300 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.66471E-03 ppm1      8.164 ppm2      4.654 CV     1
 ASSI { 1162}
   (( segid " 1SG" and resid 64   and name HN  ))
   (( segid " 1SG" and resid 68   and name HN  ))
      4.200     2.200     1.800 peak  1162 spectrum    1 weight  0.10000E+01 volume  0.66407E-03 ppm1      7.762 ppm2      7.885 CV     1
 ASSI { 1163}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 48   and name HB2 ))
      4.400     2.400     1.600 peak  1163 spectrum    1 weight  0.10000E+01 volume  0.66368E-03 ppm1      9.289 ppm2      2.942 CV     1
 ASSI { 1166}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 104  and name HB2 ))
      4.700     2.800     1.300 peak  1166 spectrum    1 weight  0.10000E+01 volume  0.66181E-03 ppm1      8.397 ppm2      1.239 CV     1
 ASSI { 1167}
   (( segid " 1SG" and resid 8    and name HN  ))
   (  segid " 1SG" and resid 7    and name HD% )
      4.700     2.800     1.300 peak  1167 spectrum    1 weight  0.10000E+01 volume  0.66039E-03 ppm1      9.051 ppm2      7.309 CV     1
 ASSI { 1168}
   (( segid " 1SG" and resid 67   and name HN  ))
   (  segid " 1SG" and resid 69   and name HG2%)
      3.700     1.700     1.700 peak  1168 spectrum    1 weight  0.10000E+01 volume  0.66033E-03 ppm1      7.424 ppm2      0.850 CV     1
 OR { 1168}
   (( segid " 1SG" and resid 67   and name HN  ))
   (  segid " 1SG" and resid 69   and name HG1%)
 ASSI { 1170}
   (( segid " 1SG" and resid 12   and name HE21))
   (  segid " 1SG" and resid 102  and name HE% )
      3.900     3.900     2.100 peak  1170 spectrum    1 weight  0.10000E+01 volume  0.65969E-03 ppm1      7.462 ppm2      7.083 CV     1
 ASSI { 1172}
   (( segid " 1SG" and resid 86   and name HN  ))
   (( segid " 1SG" and resid 85   and name HN  ))
      4.200     2.200     1.800 peak  1172 spectrum    1 weight  0.10000E+01 volume  0.65949E-03 ppm1      7.948 ppm2      9.406 CV     1
 ASSI { 1173}
   (( segid " 1SG" and resid 90   and name HN  ))
   (( segid " 1SG" and resid 41   and name HA  ))
      4.300     2.300     1.700 peak  1173 spectrum    1 weight  0.10000E+01 volume  0.65769E-03 ppm1      9.490 ppm2      5.471 CV     1
 ASSI { 1174}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB1 ))
      4.600     2.600     1.400 peak  1174 spectrum    1 weight  0.10000E+01 volume  0.65762E-03 ppm1      7.198 ppm2      2.395 CV     1
 OR { 1174}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB2 ))
 ASSI { 1175}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 73   and name HB2 ))
      3.700     1.700     1.700 peak  1175 spectrum    1 weight  0.10000E+01 volume  0.65762E-03 ppm1      8.688 ppm2      1.552 CV     1
 ASSI { 1177}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 43   and name HD1 ))
      4.400     2.400     1.600 peak  1177 spectrum    1 weight  0.10000E+01 volume  0.65691E-03 ppm1      8.632 ppm2      1.317 CV     1
 OR { 1177}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 43   and name HD2 ))
 ASSI { 1181}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 99   and name HB2 ))
      3.800     1.900     1.900 peak  1181 spectrum    1 weight  0.10000E+01 volume  0.65369E-03 ppm1      9.230 ppm2      2.737 CV     1
 ASSI { 1183}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HA  ))
      3.400     1.500     1.500 peak  1183 spectrum    1 weight  0.10000E+01 volume  0.65343E-03 ppm1      8.888 ppm2      5.828 CV     1
 ASSI { 1187}
   (( segid " 1SG" and resid 17   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      4.300     2.300     1.700 peak  1187 spectrum    1 weight  0.10000E+01 volume  0.65246E-03 ppm1      7.900 ppm2      1.179 CV     1
 ASSI { 1193}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 96   and name HG1 ))
      4.500     2.500     1.500 peak  1193 spectrum    1 weight  0.10000E+01 volume  0.64776E-03 ppm1      7.973 ppm2      1.317 CV     1
 OR { 1193}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 96   and name HG2 ))
 ASSI { 1194}
   (( segid " 1SG" and resid 60   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD1%)
      4.500     2.600     1.500 peak  1194 spectrum    1 weight  0.10000E+01 volume  0.64582E-03 ppm1      8.688 ppm2      0.407 CV     1
 OR { 1194}
   (( segid " 1SG" and resid 60   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD2%)
 ASSI { 1198}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 76   and name HN  ))
      4.300     2.300     1.700 peak  1198 spectrum    1 weight  0.10000E+01 volume  0.64550E-03 ppm1      9.238 ppm2      8.919 CV     1
 ASSI { 1199}
   (( segid " 1SG" and resid 70   and name HN  ))
   (( segid " 1SG" and resid 29   and name HA  ))
      4.200     2.200     1.800 peak  1199 spectrum    1 weight  0.10000E+01 volume  0.64518E-03 ppm1      9.269 ppm2      4.385 CV     1
 ASSI { 1201}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 81   and name HA  ))
      5.400     3.600     0.600 peak  1201 spectrum    1 weight  0.10000E+01 volume  0.64388E-03 ppm1      8.150 ppm2      3.988 CV     1
 ASSI { 1205}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (  segid " 1SG" and resid 74   and name HD1%)
      4.200     2.200     1.800 peak  1205 spectrum    1 weight  0.10000E+01 volume  0.64271E-03 ppm1     10.782 ppm2      0.402 CV     1
 OR { 1205}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (  segid " 1SG" and resid 74   and name HD2%)
 ASSI { 1207}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 49   and name HB2 ))
      3.500     1.500     1.500 peak  1207 spectrum    1 weight  0.10000E+01 volume  0.64137E-03 ppm1      8.941 ppm2      1.554 CV     1
 ASSI { 1210}
   (( segid " 1SG" and resid 29   and name HN  ))
   (( segid " 1SG" and resid 28   and name HB  ))
      4.200     2.200     1.800 peak  1210 spectrum    1 weight  0.10000E+01 volume  0.63830E-03 ppm1      8.854 ppm2      1.961 CV     1
 ASSI { 1211}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 82   and name HN  ))
      3.400     1.500     1.500 peak  1211 spectrum    1 weight  0.10000E+01 volume  0.63815E-03 ppm1      8.254 ppm2      8.025 CV     1
 ASSI { 1213}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 43   and name HB2 ))
      4.100     2.100     1.900 peak  1213 spectrum    1 weight  0.10000E+01 volume  0.63472E-03 ppm1      8.211 ppm2      1.213 CV     1
 ASSI { 1214}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 15   and name HB1 ))
      4.700     2.800     1.300 peak  1214 spectrum    1 weight  0.10000E+01 volume  0.63444E-03 ppm1      8.404 ppm2      2.024 CV     1
 OR { 1214}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 15   and name HB2 ))
 ASSI { 1217}
   (( segid " 1SG" and resid 76   and name HN  ))
   (( segid " 1SG" and resid 77   and name HN  ))
      4.100     2.100     1.900 peak  1217 spectrum    1 weight  0.10000E+01 volume  0.63250E-03 ppm1      8.925 ppm2      8.720 CV     1
 ASSI { 1218}
   (( segid " 1SG" and resid 80   and name HE21))
   (( segid " 1SG" and resid 80   and name HA  ))
      3.700     1.800     1.800 peak  1218 spectrum    1 weight  0.10000E+01 volume  0.63137E-03 ppm1      6.979 ppm2      4.637 CV     1
 ASSI { 1219}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 26   and name HN  ))
      4.300     2.300     1.700 peak  1219 spectrum    1 weight  0.10000E+01 volume  0.63121E-03 ppm1      8.401 ppm2      9.500 CV     1
 ASSI { 1222}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 93   and name HB  ))
      3.600     1.600     1.600 peak  1222 spectrum    1 weight  0.10000E+01 volume  0.62884E-03 ppm1      7.972 ppm2      4.556 CV     1
 ASSI { 1223}
   (( segid " 1SG" and resid 98   and name HN  ))
   (( segid " 1SG" and resid 97   and name HB2 ))
      4.500     2.600     1.500 peak  1223 spectrum    1 weight  0.10000E+01 volume  0.62843E-03 ppm1      8.414 ppm2      2.674 CV     1
 ASSI { 1224}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 68   and name HG1 ))
      4.700     2.700     1.300 peak  1224 spectrum    1 weight  0.10000E+01 volume  0.62806E-03 ppm1      7.423 ppm2      1.256 CV     1
 OR { 1224}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 68   and name HG2 ))
 ASSI { 1225}
   (( segid " 1SG" and resid 96   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD1%)
      4.100     2.100     1.900 peak  1225 spectrum    1 weight  0.10000E+01 volume  0.62757E-03 ppm1      7.544 ppm2      0.653 CV     1
 ASSI { 1226}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 60   and name HB2 ))
      3.700     1.700     1.700 peak  1226 spectrum    1 weight  0.10000E+01 volume  0.62625E-03 ppm1      9.449 ppm2      2.977 CV     1
 ASSI { 1228}
   (( segid " 1SG" and resid 108  and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.700     1.700     1.700 peak  1228 spectrum    1 weight  0.10000E+01 volume  0.62368E-03 ppm1      8.564 ppm2      0.370 CV     1
 ASSI { 1230}
   (( segid " 1SG" and resid 30   and name HN  ))
   (( segid " 1SG" and resid 70   and name HN  ))
      3.900     1.900     1.900 peak  1230 spectrum    1 weight  0.10000E+01 volume  0.62095E-03 ppm1      8.593 ppm2      9.275 CV     1
 ASSI { 1231}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 24   and name HN  ))
      4.300     2.400     1.700 peak  1231 spectrum    1 weight  0.10000E+01 volume  0.62082E-03 ppm1      8.400 ppm2      9.240 CV     1
 ASSI { 1232}
   (( segid " 1SG" and resid 83   and name HN  ))
   (  segid " 1SG" and resid 83   and name HE% )
      5.000     3.100     1.000 peak  1232 spectrum    1 weight  0.10000E+01 volume  0.62071E-03 ppm1      8.256 ppm2      7.263 CV     1
 ASSI { 1238}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 58   and name HG2 ))
      4.500     2.600     1.500 peak  1238 spectrum    1 weight  0.10000E+01 volume  0.61678E-03 ppm1      9.148 ppm2      1.803 CV     1
 ASSI { 1239}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 40   and name HD2 ))
      4.100     2.100     1.900 peak  1239 spectrum    1 weight  0.10000E+01 volume  0.61527E-03 ppm1      9.110 ppm2      1.698 CV     1
 OR { 1239}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 40   and name HD1 ))
 ASSI { 1241}
   (( segid " 1SG" and resid 108  and name HN  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      4.400     2.400     1.600 peak  1241 spectrum    1 weight  0.10000E+01 volume  0.61492E-03 ppm1      8.565 ppm2      1.285 CV     1
 ASSI { 1245}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 41   and name HD1 ))
      4.100     2.100     1.900 peak  1245 spectrum    1 weight  0.10000E+01 volume  0.61312E-03 ppm1      8.690 ppm2      7.122 CV     1
 ASSI { 1247}
   (( segid " 1SG" and resid 58   and name HE22))
   (( segid " 1SG" and resid 77   and name HB  ))
      4.300     2.300     1.700 peak  1247 spectrum    1 weight  0.10000E+01 volume  0.61245E-03 ppm1      6.686 ppm2      4.009 CV     1
 ASSI { 1249}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 7    and name HB2 ))
      3.100     3.100     2.900 peak  1249 spectrum    1 weight  0.10000E+01 volume  0.61174E-03 ppm1      9.229 ppm2      2.578 CV     1
 ASSI { 1250}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 77   and name HN  ))
      5.000     3.100     1.000 peak  1250 spectrum    1 weight  0.10000E+01 volume  0.61143E-03 ppm1      8.944 ppm2      8.717 CV     1
 ASSI { 1258}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 74   and name HN  ))
      4.300     2.300     1.700 peak  1258 spectrum    1 weight  0.10000E+01 volume  0.60691E-03 ppm1      9.450 ppm2      8.472 CV     1
 ASSI { 1260}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 42   and name HB2 ))
      4.700     2.700     1.300 peak  1260 spectrum    1 weight  0.10000E+01 volume  0.60588E-03 ppm1      9.287 ppm2      2.479 CV     1
 ASSI { 1264}
   (( segid " 1SG" and resid 80   and name HE22))
   (( segid " 1SG" and resid 80   and name HA  ))
      5.200     3.400     0.800 peak  1264 spectrum    1 weight  0.10000E+01 volume  0.60217E-03 ppm1      6.643 ppm2      4.635 CV     1
 ASSI { 1268}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 89   and name HA  ))
      3.600     1.600     1.600 peak  1268 spectrum    1 weight  0.10000E+01 volume  0.60122E-03 ppm1      8.977 ppm2      4.944 CV     1
 ASSI { 1269}
   (( segid " 1SG" and resid 73   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD1%)
      4.000     2.000     2.000 peak  1269 spectrum    1 weight  0.10000E+01 volume  0.60115E-03 ppm1      9.452 ppm2      0.839 CV     1
 ASSI { 1270}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 57   and name HG  ))
      4.600     2.700     1.400 peak  1270 spectrum    1 weight  0.10000E+01 volume  0.60094E-03 ppm1      9.018 ppm2      0.750 CV     1
 ASSI { 1272}
   (( segid " 1SG" and resid 53   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD1%)
      5.000     3.100     1.000 peak  1272 spectrum    1 weight  0.10000E+01 volume  0.60016E-03 ppm1      6.765 ppm2      0.861 CV     1
 ASSI { 1273}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 98   and name HB2 ))
      5.000     3.100     1.000 peak  1273 spectrum    1 weight  0.10000E+01 volume  0.59974E-03 ppm1      9.229 ppm2      2.289 CV     1
 ASSI { 1274}
   (( segid " 1SG" and resid 16   and name HN  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      4.500     2.600     1.500 peak  1274 spectrum    1 weight  0.10000E+01 volume  0.59940E-03 ppm1      8.594 ppm2      1.286 CV     1
 ASSI { 1276}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 71   and name HA  ))
      4.100     2.100     1.900 peak  1276 spectrum    1 weight  0.10000E+01 volume  0.59885E-03 ppm1      9.674 ppm2      5.062 CV     1
 ASSI { 1277}
   (( segid " 1SG" and resid 76   and name HN  ))
   (( segid " 1SG" and resid 75   and name HN  ))
      4.100     2.100     1.900 peak  1277 spectrum    1 weight  0.10000E+01 volume  0.59873E-03 ppm1      8.928 ppm2      9.150 CV     1
 ASSI { 1285}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 17   and name HN  ))
      3.800     1.800     1.800 peak  1285 spectrum    1 weight  0.10000E+01 volume  0.59084E-03 ppm1      8.829 ppm2      7.897 CV     1
 ASSI { 1286}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 65   and name HA  ))
      4.000     2.000     2.000 peak  1286 spectrum    1 weight  0.10000E+01 volume  0.59082E-03 ppm1      7.422 ppm2      3.445 CV     1
 ASSI { 1287}
   (( segid " 1SG" and resid 22   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      4.400     2.400     1.600 peak  1287 spectrum    1 weight  0.10000E+01 volume  0.59079E-03 ppm1      8.892 ppm2      1.182 CV     1
 ASSI { 1288}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 67   and name HA  ))
      5.000     3.200     1.000 peak  1288 spectrum    1 weight  0.10000E+01 volume  0.59044E-03 ppm1      8.107 ppm2      4.299 CV     1
 ASSI { 1290}
   (( segid " 1SG" and resid 70   and name HN  ))
   (( segid " 1SG" and resid 28   and name HB  ))
      3.700     1.700     1.700 peak  1290 spectrum    1 weight  0.10000E+01 volume  0.59024E-03 ppm1      9.273 ppm2      1.954 CV     1
 ASSI { 1292}
   (( segid " 1SG" and resid 101  and name HD22))
   (( segid " 1SG" and resid 101  and name HB2 ))
      4.500     2.500     1.500 peak  1292 spectrum    1 weight  0.10000E+01 volume  0.58825E-03 ppm1      6.724 ppm2      2.692 CV     1
 ASSI { 1295}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 83   and name HA  ))
      4.000     2.000     2.000 peak  1295 spectrum    1 weight  0.10000E+01 volume  0.58586E-03 ppm1     10.109 ppm2      4.613 CV     1
 ASSI { 1296}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB1 ))
      4.500     2.500     1.500 peak  1296 spectrum    1 weight  0.10000E+01 volume  0.58578E-03 ppm1      9.024 ppm2      2.399 CV     1
 OR { 1296}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB2 ))
 ASSI { 1298}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 37   and name HB2 ))
      3.800     1.800     1.800 peak  1298 spectrum    1 weight  0.10000E+01 volume  0.58531E-03 ppm1      8.737 ppm2      1.365 CV     1
 ASSI { 1301}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 106  and name HN  ))
      4.400     2.400     1.600 peak  1301 spectrum    1 weight  0.10000E+01 volume  0.58499E-03 ppm1      8.826 ppm2      8.159 CV     1
 ASSI { 1302}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 84   and name HA  ))
      4.000     2.000     2.000 peak  1302 spectrum    1 weight  0.10000E+01 volume  0.58379E-03 ppm1      8.799 ppm2      4.230 CV     1
 OR { 1302}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 84   and name HB  ))
 ASSI { 1306}
   (( segid " 1SG" and resid 40   and name HN  ))
   (  segid " 1SG" and resid 38   and name HG2%)
      4.500     2.500     1.500 peak  1306 spectrum    1 weight  0.10000E+01 volume  0.58046E-03 ppm1      8.688 ppm2      0.784 CV     1
 ASSI { 1309}
   (( segid " 1SG" and resid 48   and name HN  ))
   (( segid " 1SG" and resid 47   and name HN  ))
      4.300     2.300     1.700 peak  1309 spectrum    1 weight  0.10000E+01 volume  0.57860E-03 ppm1      8.396 ppm2      7.292 CV     1
 ASSI { 1310}
   (( segid " 1SG" and resid 93   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD1%)
      4.200     2.200     1.800 peak  1310 spectrum    1 weight  0.10000E+01 volume  0.57846E-03 ppm1      8.555 ppm2      0.652 CV     1
 ASSI { 1311}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 46   and name HB2 ))
      4.300     2.400     1.700 peak  1311 spectrum    1 weight  0.10000E+01 volume  0.57816E-03 ppm1     10.115 ppm2      3.057 CV     1
 ASSI { 1312}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      4.200     2.200     1.800 peak  1312 spectrum    1 weight  0.10000E+01 volume  0.57695E-03 ppm1      9.149 ppm2      1.436 CV     1
 ASSI { 1314}
   (( segid " 1SG" and resid 42   and name HN  ))
   (( segid " 1SG" and resid 41   and name HN  ))
      4.600     2.600     1.400 peak  1314 spectrum    1 weight  0.10000E+01 volume  0.57557E-03 ppm1      9.445 ppm2      9.310 CV     1
 ASSI { 1315}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 101  and name HA  ))
      4.200     2.200     1.800 peak  1315 spectrum    1 weight  0.10000E+01 volume  0.57547E-03 ppm1      8.979 ppm2      5.507 CV     1
 ASSI { 1317}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 45   and name HA  ))
      4.900     3.000     1.100 peak  1317 spectrum    1 weight  0.10000E+01 volume  0.57338E-03 ppm1     10.118 ppm2      3.497 CV     1
 ASSI { 1319}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 57   and name HA  ))
      4.200     2.200     1.800 peak  1319 spectrum    1 weight  0.10000E+01 volume  0.57254E-03 ppm1      9.150 ppm2      5.401 CV     1
 ASSI { 1320}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 45   and name HE2 ))
      4.100     2.100     1.900 peak  1320 spectrum    1 weight  0.10000E+01 volume  0.57229E-03 ppm1     10.108 ppm2      2.594 CV     1
 ASSI { 1323}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 58   and name HA  ))
      3.900     1.900     1.900 peak  1323 spectrum    1 weight  0.10000E+01 volume  0.57076E-03 ppm1      7.436 ppm2      4.650 CV     1
 ASSI { 1325}
   (( segid " 1SG" and resid 10   and name HN  ))
   (( segid " 1SG" and resid 10   and name HA  ))
      3.600     1.600     1.600 peak  1325 spectrum    1 weight  0.10000E+01 volume  0.56902E-03 ppm1      8.852 ppm2      4.315 CV     1
 ASSI { 1332}
   (( segid " 1SG" and resid 80   and name HN  ))
   (( segid " 1SG" and resid 80   and name HG2 ))
      4.500     2.600     1.500 peak  1332 spectrum    1 weight  0.10000E+01 volume  0.56543E-03 ppm1      5.579 ppm2      2.159 CV     1
 OR { 1332}
   (( segid " 1SG" and resid 80   and name HN  ))
   (( segid " 1SG" and resid 80   and name HG1 ))
 ASSI { 1333}
   (( segid " 1SG" and resid 21   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      4.200     2.200     1.800 peak  1333 spectrum    1 weight  0.10000E+01 volume  0.56472E-03 ppm1      8.168 ppm2      1.177 CV     1
 ASSI { 1335}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 89   and name HA  ))
      4.400     2.400     1.600 peak  1335 spectrum    1 weight  0.10000E+01 volume  0.56335E-03 ppm1      8.689 ppm2      4.943 CV     1
 ASSI { 1341}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 88   and name HA  ))
      3.600     1.600     1.600 peak  1341 spectrum    1 weight  0.10000E+01 volume  0.55789E-03 ppm1      9.108 ppm2      5.308 CV     1
 ASSI { 1347}
   (( segid " 1SG" and resid 29   and name HN  ))
   (( segid " 1SG" and resid 30   and name HN  ))
      3.300     1.400     1.400 peak  1347 spectrum    1 weight  0.10000E+01 volume  0.34054E-02 ppm1      8.854 ppm2      8.595 CV     1
 ASSI { 1348}
   (( segid " 1SG" and resid 102  and name HN  ))
   (( segid " 1SG" and resid 103  and name HN  ))
      3.200     1.300     1.300 peak  1348 spectrum    1 weight  0.10000E+01 volume  0.34073E-02 ppm1      8.557 ppm2      9.245 CV     1
 ASSI { 1349}
   (( segid " 1SG" and resid 42   and name HN  ))
   (( segid " 1SG" and resid 42   and name HA  ))
      2.700     0.900     0.900 peak  1349 spectrum    1 weight  0.10000E+01 volume  0.34054E-02 ppm1      9.447 ppm2      5.780 CV     1
 ASSI { 1351}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 14   and name HN  ))
      3.300     1.300     1.300 peak  1351 spectrum    1 weight  0.10000E+01 volume  0.34054E-02 ppm1      8.317 ppm2      9.191 CV     1
 ASSI { 1352}
   (( segid " 1SG" and resid 94   and name HN  ))
   (( segid " 1SG" and resid 94   and name HB2 ))
      2.900     1.000     1.000 peak  1352 spectrum    1 weight  0.10000E+01 volume  0.34054E-02 ppm1      8.330 ppm2      1.778 CV     1
 ASSI { 1353}
   (( segid " 1SG" and resid 93   and name HN  ))
   (( segid " 1SG" and resid 93   and name HB  ))
      2.700     0.900     0.900 peak  1353 spectrum    1 weight  0.10000E+01 volume  0.34054E-02 ppm1      8.558 ppm2      4.550 CV     1
 ASSI { 1356}
   (( segid " 1SG" and resid 56   and name HN  ))
   (( segid " 1SG" and resid 56   and name HA  ))
      2.800     1.000     1.000 peak  1356 spectrum    1 weight  0.10000E+01 volume  0.34054E-02 ppm1      8.385 ppm2      4.970 CV     1
 ASSI { 1358}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 8    and name HN  ))
      2.700     0.900     0.900 peak  1358 spectrum    1 weight  0.10000E+01 volume  0.34054E-02 ppm1      7.892 ppm2      9.052 CV     1
 ASSI { 1360}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 98   and name HN  ))
      3.400     1.400     1.400 peak  1360 spectrum    1 weight  0.10000E+01 volume  0.34054E-02 ppm1      8.056 ppm2      8.423 CV     1
 ASSI { 1361}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 104  and name HN  ))
      3.300     1.300     1.300 peak  1361 spectrum    1 weight  0.10000E+01 volume  0.34073E-02 ppm1      9.242 ppm2      8.788 CV     1
 ASSI { 1362}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 96   and name HN  ))
      3.200     1.200     1.200 peak  1362 spectrum    1 weight  0.10000E+01 volume  0.34054E-02 ppm1      8.059 ppm2      7.543 CV     1
 ASSI { 1363}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB1 ))
      3.500     3.500     2.500 peak  1363 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      9.288 ppm2      1.696 CV     1
 OR { 1363}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB2 ))
 ASSI { 1366}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 35   and name HE2 ))
      3.600     1.600     1.600 peak  1366 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      7.510 ppm2      2.950 CV     1
 OR { 1366}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 35   and name HE1 ))
 ASSI { 1367}
   (( segid " 1SG" and resid 45   and name HN  ))
   (( segid " 1SG" and resid 45   and name HA  ))
      2.800     1.000     1.000 peak  1367 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      8.196 ppm2      3.486 CV     1
 ASSI { 1369}
   (( segid " 1SG" and resid 45   and name HN  ))
   (( segid " 1SG" and resid 45   and name HB2 ))
      2.600     0.900     0.900 peak  1369 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      8.195 ppm2      0.606 CV     1
 OR { 1369}
   (( segid " 1SG" and resid 45   and name HN  ))
   (( segid " 1SG" and resid 45   and name HG2 ))
 ASSI { 1371}
   (( segid " 1SG" and resid 94   and name HN  ))
   (( segid " 1SG" and resid 94   and name HA  ))
      2.500     0.800     0.800 peak  1371 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      8.337 ppm2      4.042 CV     1
 ASSI { 1373}
   (( segid " 1SG" and resid 18   and name HN  ))
   (  segid " 1SG" and resid 18   and name HG1%)
      3.200     1.300     1.300 peak  1373 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      8.005 ppm2      0.992 CV     1
 ASSI { 1374}
   (( segid " 1SG" and resid 53   and name HN  ))
   (  segid " 1SG" and resid 53   and name HG1%)
      3.600     1.600     1.600 peak  1374 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      6.764 ppm2      1.120 CV     1
 ASSI { 1376}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 21   and name HB2 ))
      3.600     1.600     1.600 peak  1376 spectrum    1 weight  0.10000E+01 volume  0.34073E-02 ppm1      8.053 ppm2      3.751 CV     1
 ASSI { 1379}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 62   and name HN  ))
      3.500     1.600     1.600 peak  1379 spectrum    1 weight  0.10000E+01 volume  0.34054E-02 ppm1      9.447 ppm2      8.851 CV     1
 ASSI { 1380}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 64   and name HN  ))
      3.200     1.200     1.200 peak  1380 spectrum    1 weight  0.10000E+01 volume  0.34054E-02 ppm1      8.721 ppm2      7.751 CV     1
 ASSI { 1381}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 87   and name HN  ))
      3.300     1.400     1.400 peak  1381 spectrum    1 weight  0.10000E+01 volume  0.34054E-02 ppm1      8.792 ppm2      9.113 CV     1
 ASSI { 1384}
   (( segid " 1SG" and resid 98   and name HN  ))
   (( segid " 1SG" and resid 98   and name HA  ))
      2.800     1.000     1.000 peak  1384 spectrum    1 weight  0.10000E+01 volume  0.34054E-02 ppm1      8.417 ppm2      4.696 CV     1
 ASSI { 1385}
   (( segid " 1SG" and resid 80   and name HN  ))
   (( segid " 1SG" and resid 80   and name HA  ))
      2.700     0.900     0.900 peak  1385 spectrum    1 weight  0.10000E+01 volume  0.34054E-02 ppm1      5.581 ppm2      4.644 CV     1
 ASSI { 1386}
   (( segid " 1SG" and resid 12   and name HN  ))
   (( segid " 1SG" and resid 12   and name HA  ))
      2.700     0.900     0.900 peak  1386 spectrum    1 weight  0.10000E+01 volume  0.34054E-02 ppm1      8.345 ppm2      4.679 CV     1
 ASSI { 1391}
   (( segid " 1SG" and resid 101  and name HN  ))
   (( segid " 1SG" and resid 101  and name HA  ))
      2.700     0.900     0.900 peak  1391 spectrum    1 weight  0.10000E+01 volume  0.34054E-02 ppm1      9.044 ppm2      5.506 CV     1
 ASSI { 1393}
   (( segid " 1SG" and resid 91   and name HN  ))
   (( segid " 1SG" and resid 90   and name HA  ))
      2.600     0.800     0.800 peak  1393 spectrum    1 weight  0.10000E+01 volume  0.34054E-02 ppm1      8.474 ppm2      4.789 CV     1
 ASSI { 1395}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 49   and name HN  ))
      2.900     1.100     1.100 peak  1395 spectrum    1 weight  0.10000E+01 volume  0.34054E-02 ppm1      8.632 ppm2      9.291 CV     1
 ASSI { 1397}
   (( segid " 1SG" and resid 33   and name HN  ))
   (( segid " 1SG" and resid 33   and name HA  ))
      2.700     0.900     0.900 peak  1397 spectrum    1 weight  0.10000E+01 volume  0.34054E-02 ppm1      7.614 ppm2      4.456 CV     1
 ASSI { 1398}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 40   and name HN  ))
      3.300     1.300     1.300 peak  1398 spectrum    1 weight  0.10000E+01 volume  0.34054E-02 ppm1      9.308 ppm2      8.696 CV     1
 ASSI { 1399}
   (( segid " 1SG" and resid 6    and name HN  ))
   (( segid " 1SG" and resid 5    and name HN  ))
      2.300     0.700     0.700 peak  1399 spectrum    1 weight  0.10000E+01 volume  0.34073E-02 ppm1      8.450 ppm2      8.143 CV     1
 ASSI { 1400}
   (( segid " 1SG" and resid 8    and name HN  ))
   (( segid " 1SG" and resid 29   and name HN  ))
      2.800     1.000     1.000 peak  1400 spectrum    1 weight  0.10000E+01 volume  0.34073E-02 ppm1      9.053 ppm2      8.853 CV     1
 ASSI { 1401}
   (( segid " 1SG" and resid 7    and name HN  ))
   (( segid " 1SG" and resid 8    and name HN  ))
      3.000     1.100     1.100 peak  1401 spectrum    1 weight  0.10000E+01 volume  0.34073E-02 ppm1      8.874 ppm2      9.052 CV     1
 ASSI { 1403}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 103  and name HN  ))
      3.100     1.200     1.200 peak  1403 spectrum    1 weight  0.10000E+01 volume  0.34073E-02 ppm1      8.312 ppm2      9.240 CV     1
 ASSI { 1406}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 48   and name HN  ))
      3.200     1.300     1.300 peak  1406 spectrum    1 weight  0.10000E+01 volume  0.34073E-02 ppm1      9.290 ppm2      8.397 CV     1
 ASSI { 1407}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 50   and name HN  ))
      3.300     1.300     1.300 peak  1407 spectrum    1 weight  0.10000E+01 volume  0.34073E-02 ppm1      7.786 ppm2      8.941 CV     1
 ASSI { 1408}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 51   and name HN  ))
      3.500     1.500     1.500 peak  1408 spectrum    1 weight  0.10000E+01 volume  0.34073E-02 ppm1      6.764 ppm2      7.881 CV     1
 ASSI { 1409}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 51   and name HA  ))
      3.000     1.100     1.100 peak  1409 spectrum    1 weight  0.10000E+01 volume  0.34073E-02 ppm1      7.784 ppm2      4.557 CV     1
 ASSI { 1411}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 58   and name HN  ))
      3.200     1.200     1.200 peak  1411 spectrum    1 weight  0.10000E+01 volume  0.34073E-02 ppm1      7.198 ppm2      8.954 CV     1
 ASSI { 1412}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 60   and name HN  ))
      3.200     1.300     1.300 peak  1412 spectrum    1 weight  0.10000E+01 volume  0.34073E-02 ppm1      9.151 ppm2      8.693 CV     1
 ASSI { 1413}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 64   and name HN  ))
      3.400     1.400     1.400 peak  1413 spectrum    1 weight  0.10000E+01 volume  0.34073E-02 ppm1      8.305 ppm2      7.754 CV     1
 ASSI { 1414}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 70   and name HN  ))
      3.300     1.300     1.300 peak  1414 spectrum    1 weight  0.10000E+01 volume  0.34073E-02 ppm1      8.724 ppm2      9.271 CV     1
 ASSI { 1417}
   (( segid " 1SG" and resid 72   and name HN  ))
   (( segid " 1SG" and resid 28   and name HN  ))
      3.300     1.400     1.400 peak  1417 spectrum    1 weight  0.10000E+01 volume  0.34073E-02 ppm1      9.295 ppm2      9.670 CV     1
 ASSI { 1419}
   (( segid " 1SG" and resid 76   and name HN  ))
   (( segid " 1SG" and resid 76   and name HA  ))
      2.600     0.800     0.800 peak  1419 spectrum    1 weight  0.10000E+01 volume  0.34073E-02 ppm1      8.925 ppm2      4.988 CV     1
 ASSI { 1420}
   (( segid " 1SG" and resid 84   and name HN  ))
   (( segid " 1SG" and resid 83   and name HA  ))
      2.800     1.000     1.000 peak  1420 spectrum    1 weight  0.10000E+01 volume  0.34073E-02 ppm1      7.866 ppm2      4.601 CV     1
 ASSI { 1422}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 100  and name HN  ))
      2.700     0.900     0.900 peak  1422 spectrum    1 weight  0.10000E+01 volume  0.34073E-02 ppm1      8.979 ppm2      8.906 CV     1
 ASSI { 1423}
   (( segid " 1SG" and resid 91   and name HN  ))
   (( segid " 1SG" and resid 91   and name HA  ))
      2.600     0.800     0.800 peak  1423 spectrum    1 weight  0.10000E+01 volume  0.34073E-02 ppm1      8.474 ppm2      4.739 CV     1
 ASSI { 1426}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 15   and name HA  ))
      2.600     0.800     0.800 peak  1426 spectrum    1 weight  0.10000E+01 volume  0.34073E-02 ppm1      8.399 ppm2      5.489 CV     1
 ASSI { 1428}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 104  and name HN  ))
      3.200     1.300     1.300 peak  1428 spectrum    1 weight  0.10000E+01 volume  0.34073E-02 ppm1      8.400 ppm2      8.792 CV     1
 ASSI { 1429}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 105  and name HN  ))
      3.000     1.100     1.100 peak  1429 spectrum    1 weight  0.10000E+01 volume  0.34073E-02 ppm1      8.150 ppm2      8.402 CV     1
 ASSI { 1430}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 85   and name HN  ))
      3.300     1.400     1.400 peak  1430 spectrum    1 weight  0.10000E+01 volume  0.34073E-02 ppm1      8.149 ppm2      9.408 CV     1
 ASSI { 1433}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 106  and name HA  ))
      2.600     0.800     0.800 peak  1433 spectrum    1 weight  0.10000E+01 volume  0.34073E-02 ppm1      8.151 ppm2      4.725 CV     1
 ASSI { 1434}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 65   and name HA  ))
      3.000     1.100     1.100 peak  1434 spectrum    1 weight  0.10000E+01 volume  0.34073E-02 ppm1      6.900 ppm2      3.449 CV     1
 ASSI { 1435}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 78   and name HN  ))
      3.800     1.800     1.800 peak  1435 spectrum    1 weight  0.10000E+01 volume  0.34073E-02 ppm1      8.889 ppm2      8.054 CV     1
 ASSI { 1437}
   (( segid " 1SG" and resid 19   and name HN  ))
   (( segid " 1SG" and resid 20   and name HA1 ))
      3.800     1.800     1.800 peak  1437 spectrum    1 weight  0.10000E+01 volume  0.34073E-02 ppm1      9.827 ppm2      3.729 CV     1
 ASSI { 1438}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 37   and name HA  ))
      3.200     1.300     1.300 peak  1438 spectrum    1 weight  0.10000E+01 volume  0.34073E-02 ppm1      8.735 ppm2      4.487 CV     1
 ASSI { 1439}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 39   and name HA  ))
      3.200     1.300     1.300 peak  1439 spectrum    1 weight  0.10000E+01 volume  0.34073E-02 ppm1      8.735 ppm2      4.801 CV     1
 ASSI { 1440}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 43   and name HA  ))
      3.200     1.300     1.300 peak  1440 spectrum    1 weight  0.10000E+01 volume  0.34073E-02 ppm1      9.108 ppm2      4.132 CV     1
 ASSI { 1441}
   (( segid " 1SG" and resid 86   and name HN  ))
   (( segid " 1SG" and resid 103  and name HA  ))
      3.400     1.400     1.400 peak  1441 spectrum    1 weight  0.10000E+01 volume  0.34073E-02 ppm1      7.948 ppm2      5.544 CV     1
 ASSI { 1442}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 48   and name HA  ))
      2.800     1.000     1.000 peak  1442 spectrum    1 weight  0.10000E+01 volume  0.34073E-02 ppm1      8.628 ppm2      4.192 CV     1
 ASSI { 1443}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 86   and name HA2 ))
      3.000     1.100     1.100 peak  1443 spectrum    1 weight  0.10000E+01 volume  0.34073E-02 ppm1      8.796 ppm2      4.658 CV     1
 ASSI { 1444}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 14   and name HN  ))
      2.900     1.100     1.100 peak  1444 spectrum    1 weight  0.10000E+01 volume  0.34073E-02 ppm1      8.400 ppm2      9.191 CV     1
 ASSI { 1445}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 102  and name HA  ))
      2.900     1.100     1.100 peak  1445 spectrum    1 weight  0.10000E+01 volume  0.34073E-02 ppm1      8.313 ppm2      4.987 CV     1
 ASSI { 1446}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 9    and name HB2 ))
      2.800     1.000     1.000 peak  1446 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      7.887 ppm2      1.892 CV     1
 ASSI { 1447}
   (( segid " 1SG" and resid 80   and name HN  ))
   (( segid " 1SG" and resid 80   and name HB2 ))
      2.600     0.800     0.800 peak  1447 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      5.579 ppm2      1.960 CV     1
 OR { 1447}
   (( segid " 1SG" and resid 80   and name HN  ))
   (( segid " 1SG" and resid 80   and name HB1 ))
 ASSI { 1448}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 23   and name HN  ))
      3.300     1.400     1.400 peak  1448 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      9.239 ppm2      7.917 CV     1
 ASSI { 1449}
   (( segid " 1SG" and resid 42   and name HN  ))
   (( segid " 1SG" and resid 41   and name HD1 ))
      3.700     3.700     2.300 peak  1449 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      9.447 ppm2      7.131 CV     1
 ASSI { 1450}
   (( segid " 1SG" and resid 46   and name HN  ))
   (( segid " 1SG" and resid 46   and name HD1 ))
      2.600     0.800     0.800 peak  1450 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      8.216 ppm2      7.132 CV     1
 ASSI { 1452}
   (( segid " 1SG" and resid 56   and name HN  ))
   (( segid " 1SG" and resid 56   and name HB2 ))
      3.300     1.400     1.400 peak  1452 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      8.383 ppm2      3.101 CV     1
 ASSI { 1453}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 103  and name HB2 ))
      3.100     3.100     2.900 peak  1453 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      9.184 ppm2      2.498 CV     1
 ASSI { 1455}
   (( segid " 1SG" and resid 86   and name HN  ))
   (  segid " 1SG" and resid 87   and name HD% )
      3.000     1.100     1.100 peak  1455 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      7.948 ppm2      6.794 CV     1
 ASSI { 1456}
   (( segid " 1SG" and resid 86   and name HN  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      3.200     3.200     2.800 peak  1456 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      7.946 ppm2      1.498 CV     1
 ASSI { 1458}
   (( segid " 1SG" and resid 5    and name HN  ))
   (( segid " 1SG" and resid 96   and name HB2 ))
      3.400     1.500     1.500 peak  1458 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      8.144 ppm2      1.572 CV     1
 ASSI { 1459}
   (( segid " 1SG" and resid 5    and name HN  ))
   (( segid " 1SG" and resid 4    and name HG12))
      3.600     1.600     1.600 peak  1459 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      8.143 ppm2      1.230 CV     1
 ASSI { 1460}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 64   and name HB2 ))
      3.300     1.400     1.400 peak  1460 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      7.421 ppm2      2.339 CV     1
 ASSI { 1461}
   (( segid " 1SG" and resid 20   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.400     1.500     1.500 peak  1461 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      8.824 ppm2      0.376 CV     1
 ASSI { 1462}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 18   and name HN  ))
      3.200     3.200     2.800 peak  1462 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      8.828 ppm2      8.005 CV     1
 ASSI { 1463}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 63   and name HN  ))
      3.300     1.300     1.300 peak  1463 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      8.848 ppm2      8.521 CV     1
 ASSI { 1465}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 95   and name HB2 ))
      2.600     0.900     0.900 peak  1465 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      7.971 ppm2      2.631 CV     1
 ASSI { 1466}
   (( segid " 1SG" and resid 95   and name HN  ))
   (  segid " 1SG" and resid 93   and name HG2%)
      3.100     1.200     1.200 peak  1466 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      7.969 ppm2      1.024 CV     1
 ASSI { 1468}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 80   and name HG1 ))
      2.700     0.900     0.900 peak  1468 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      8.254 ppm2      2.168 CV     1
 OR { 1468}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 80   and name HG2 ))
 ASSI { 1469}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 106  and name HB  ))
      3.400     1.400     1.400 peak  1469 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      8.253 ppm2      1.861 CV     1
 ASSI { 1471}
   (( segid " 1SG" and resid 83   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.300     1.400     1.400 peak  1471 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      8.254 ppm2      0.372 CV     1
 ASSI { 1472}
   (( segid " 1SG" and resid 93   and name HN  ))
   (  segid " 1SG" and resid 97   and name HD% )
      3.500     1.500     1.500 peak  1472 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      8.557 ppm2      7.094 CV     1
 ASSI { 1473}
   (( segid " 1SG" and resid 93   and name HN  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      3.000     1.100     1.100 peak  1473 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      8.557 ppm2      0.177 CV     1
 ASSI { 1476}
   (( segid " 1SG" and resid 85   and name HN  ))
   (( segid " 1SG" and resid 104  and name HB2 ))
      3.400     1.500     1.500 peak  1476 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      9.406 ppm2      1.227 CV     1
 ASSI { 1477}
   (( segid " 1SG" and resid 85   and name HN  ))
   (( segid " 1SG" and resid 103  and name HA  ))
      3.400     3.400     2.600 peak  1477 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      9.405 ppm2      5.536 CV     1
 ASSI { 1478}
   (( segid " 1SG" and resid 25   and name HN  ))
   (  segid " 1SG" and resid 23   and name HG2%)
      3.200     3.200     2.800 peak  1478 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      8.401 ppm2      0.771 CV     1
 ASSI { 1480}
   (( segid " 1SG" and resid 44   and name HN  ))
   (  segid " 1SG" and resid 87   and name HD% )
      2.800     1.000     1.000 peak  1480 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      8.211 ppm2      6.801 CV     1
 ASSI { 1482}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 43   and name HD2 ))
      3.500     1.500     1.500 peak  1482 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      8.212 ppm2      1.314 CV     1
 OR { 1482}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 43   and name HD1 ))
 ASSI { 1484}
   (( segid " 1SG" and resid 51   and name HN  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      3.100     1.200     1.200 peak  1484 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      7.879 ppm2      1.071 CV     1
 ASSI { 1485}
   (( segid " 1SG" and resid 51   and name HN  ))
   (( segid " 1SG" and resid 52   and name HB2 ))
      3.600     1.600     1.600 peak  1485 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      7.881 ppm2      1.710 CV     1
 ASSI { 1486}
   (( segid " 1SG" and resid 7    and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.400     1.500     1.500 peak  1486 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      8.875 ppm2      0.469 CV     1
 ASSI { 1488}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 48   and name HB2 ))
      3.000     1.100     1.100 peak  1488 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      8.940 ppm2      2.935 CV     1
 ASSI { 1490}
   (( segid " 1SG" and resid 69   and name HN  ))
   (  segid " 1SG" and resid 63   and name HD% )
      2.900     2.900     3.100 peak  1490 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      6.899 ppm2      5.903 CV     1
 ASSI { 1491}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 67   and name HA  ))
      3.500     1.500     1.500 peak  1491 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      6.897 ppm2      4.292 CV     1
 ASSI { 1494}
   (( segid " 1SG" and resid 83   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      3.400     1.500     1.500 peak  1494 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      8.257 ppm2      1.183 CV     1
 ASSI { 1495}
   (( segid " 1SG" and resid 70   and name HN  ))
   (  segid " 1SG" and resid 28   and name HG2%)
      3.200     1.300     1.300 peak  1495 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      9.272 ppm2      0.629 CV     1
 ASSI { 1497}
   (( segid " 1SG" and resid 70   and name HN  ))
   (  segid " 1SG" and resid 70   and name HE% )
      3.300     1.400     1.400 peak  1497 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      9.270 ppm2      6.632 CV     1
 ASSI { 1498}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 100  and name HN  ))
      3.300     1.400     1.400 peak  1498 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      9.228 ppm2      8.896 CV     1
 ASSI { 1499}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 98   and name HN  ))
      3.300     1.400     1.400 peak  1499 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      9.228 ppm2      8.427 CV     1
 ASSI { 1501}
   (( segid " 1SG" and resid 80   and name HN  ))
   (  segid " 1SG" and resid 83   and name HE% )
      3.000     1.100     1.100 peak  1501 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      5.580 ppm2      7.264 CV     1
 ASSI { 1503}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 34   and name HN  ))
      2.500     0.800     0.800 peak  1503 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      7.510 ppm2      8.687 CV     1
 ASSI { 1504}
   (( segid " 1SG" and resid 92   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.000     1.100     1.100 peak  1504 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      8.734 ppm2      0.473 CV     1
 ASSI { 1505}
   (( segid " 1SG" and resid 92   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG1%)
      2.300     2.300     3.700 peak  1505 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      8.735 ppm2     -0.083 CV     1
 ASSI { 1507}
   (( segid " 1SG" and resid 42   and name HN  ))
   (  segid " 1SG" and resid 49   and name HD2%)
      3.400     1.400     1.400 peak  1507 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      9.445 ppm2      1.011 CV     1
 ASSI { 1510}
   (( segid " 1SG" and resid 42   and name HN  ))
   (( segid " 1SG" and resid 41   and name HB2 ))
      3.400     1.400     1.400 peak  1510 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      9.448 ppm2      3.149 CV     1
 ASSI { 1511}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 103  and name HD21))
      2.900     1.100     1.100 peak  1511 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      9.241 ppm2      7.722 CV     1
 ASSI { 1513}
   (( segid " 1SG" and resid 79   and name HN  ))
   (  segid " 1SG" and resid 83   and name HE% )
      3.500     3.500     2.500 peak  1513 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      8.973 ppm2      7.265 CV     1
 ASSI { 1514}
   (( segid " 1SG" and resid 79   and name HN  ))
   (  segid " 1SG" and resid 83   and name HD% )
      3.600     1.600     1.600 peak  1514 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      8.973 ppm2      7.109 CV     1
 ASSI { 1515}
   (( segid " 1SG" and resid 79   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.100     1.200     1.200 peak  1515 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      8.973 ppm2      0.382 CV     1
 ASSI { 1518}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HD1 ))
      3.400     1.400     1.400 peak  1518 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      8.896 ppm2      3.106 CV     1
 OR { 1518}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HD2 ))
 ASSI { 1519}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 9    and name HG2 ))
      3.000     3.000     3.000 peak  1519 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      8.892 ppm2      2.504 CV     1
 ASSI { 1520}
   (( segid " 1SG" and resid 100  and name HN  ))
   (( segid " 1SG" and resid 89   and name HB2 ))
      3.000     1.100     1.100 peak  1520 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      8.895 ppm2      2.307 CV     1
 ASSI { 1521}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HG2 ))
      2.800     0.900     0.900 peak  1521 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      8.890 ppm2      1.675 CV     1
 OR { 1521}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HG1 ))
 ASSI { 1522}
   (( segid " 1SG" and resid 27   and name HN  ))
   (  segid " 1SG" and resid 28   and name HG2%)
      3.000     1.100     1.100 peak  1522 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      8.891 ppm2      0.632 CV     1
 ASSI { 1523}
   (( segid " 1SG" and resid 94   and name HN  ))
   (( segid " 1SG" and resid 93   and name HB  ))
      2.800     0.900     0.900 peak  1523 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      8.338 ppm2      4.555 CV     1
 ASSI { 1526}
   (( segid " 1SG" and resid 17   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.100     3.100     2.900 peak  1526 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      7.898 ppm2      0.371 CV     1
 ASSI { 1527}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 61   and name HB2 ))
      3.600     3.600     2.400 peak  1527 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      9.450 ppm2      2.295 CV     1
 ASSI { 1530}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 60   and name HA  ))
      2.900     2.900     3.100 peak  1530 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      9.450 ppm2      5.073 CV     1
 ASSI { 1534}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 16   and name HB  ))
      3.200     3.200     2.800 peak  1534 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      8.502 ppm2      1.802 CV     1
 ASSI { 1535}
   (( segid " 1SG" and resid 38   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG2%)
      2.900     1.100     1.100 peak  1535 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      8.374 ppm2     -0.453 CV     1
 ASSI { 1537}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 68   and name HA  ))
      3.800     1.800     1.800 peak  1537 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      8.106 ppm2      3.600 CV     1
 ASSI { 1538}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 65   and name HD2 ))
      2.900     2.900     3.100 peak  1538 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      8.106 ppm2      3.228 CV     1
 OR { 1538}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 65   and name HD1 ))
 ASSI { 1539}
   (( segid " 1SG" and resid 84   and name HN  ))
   (  segid " 1SG" and resid 83   and name HD% )
      3.500     1.500     1.500 peak  1539 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      7.866 ppm2      7.112 CV     1
 ASSI { 1540}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 74   and name HA  ))
      3.400     1.400     1.400 peak  1540 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      8.940 ppm2      4.324 CV     1
 ASSI { 1542}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 22   and name HG12))
      3.500     1.500     1.500 peak  1542 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      8.888 ppm2      0.075 CV     1
 ASSI { 1543}
   (( segid " 1SG" and resid 104  and name HN  ))
   (  segid " 1SG" and resid 106  and name HG1%)
      3.200     3.200     2.800 peak  1543 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      8.793 ppm2      0.667 CV     1
 ASSI { 1549}
   (( segid " 1SG" and resid 26   and name HN  ))
   (( segid " 1SG" and resid 27   and name HN  ))
      3.200     1.300     1.300 peak  1549 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      9.498 ppm2      8.892 CV     1
 ASSI { 1550}
   (( segid " 1SG" and resid 26   and name HN  ))
   (  segid " 1SG" and resid 72   and name HD% )
      3.400     3.400     2.600 peak  1550 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      9.498 ppm2      7.311 CV     1
 ASSI { 1552}
   (( segid " 1SG" and resid 41   and name HN  ))
   (  segid " 1SG" and resid 49   and name HD2%)
      3.600     1.600     1.600 peak  1552 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      9.306 ppm2      1.018 CV     1
 ASSI { 1553}
   (( segid " 1SG" and resid 41   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD1%)
      3.100     1.200     1.200 peak  1553 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      9.307 ppm2      0.856 CV     1
 ASSI { 1554}
   (( segid " 1SG" and resid 41   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD2%)
      3.500     1.500     1.500 peak  1554 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      9.307 ppm2      0.688 CV     1
 ASSI { 1555}
   (( segid " 1SG" and resid 41   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG1%)
      3.100     1.200     1.200 peak  1555 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      9.308 ppm2     -0.081 CV     1
 ASSI { 1557}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 74   and name HB2 ))
      2.400     0.700     0.700 peak  1557 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      9.237 ppm2     -0.838 CV     1
 ASSI { 1560}
   (( segid " 1SG" and resid 76   and name HN  ))
   (  segid " 1SG" and resid 76   and name HD1%)
      3.400     1.500     1.500 peak  1560 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      8.926 ppm2      0.649 CV     1
 ASSI { 1561}
   (( segid " 1SG" and resid 76   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD2%)
      3.600     1.600     1.600 peak  1561 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      8.926 ppm2      0.405 CV     1
 OR { 1561}
   (( segid " 1SG" and resid 76   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI { 1563}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 90   and name HB2 ))
      3.200     1.300     1.300 peak  1563 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      8.696 ppm2      2.025 CV     1
 ASSI { 1564}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 40   and name HD1 ))
      3.500     1.500     1.500 peak  1564 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      8.694 ppm2      1.685 CV     1
 OR { 1564}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 40   and name HD2 ))
 ASSI { 1565}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 40   and name HG1 ))
      2.300     0.700     0.700 peak  1565 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      8.694 ppm2      1.238 CV     1
 OR { 1565}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 40   and name HG2 ))
 ASSI { 1566}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 41   and name HH2 ))
      2.800     2.800     3.200 peak  1566 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      8.470 ppm2      6.611 CV     1
 ASSI { 1568}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 24   and name HB2 ))
      2.800     2.800     3.200 peak  1568 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      8.469 ppm2      2.408 CV     1
 ASSI { 1570}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 75   and name HN  ))
      3.300     1.400     1.400 peak  1570 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      8.471 ppm2      9.160 CV     1
 ASSI { 1572}
   (( segid " 1SG" and resid 8    and name HN  ))
   (  segid " 1SG" and resid 28   and name HG1%)
      3.100     3.100     2.900 peak  1572 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      9.052 ppm2      0.818 CV     1
 ASSI { 1573}
   (( segid " 1SG" and resid 8    and name HN  ))
   (  segid " 1SG" and resid 29   and name HB% )
      3.400     1.500     1.500 peak  1573 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      9.052 ppm2      1.513 CV     1
 ASSI { 1574}
   (( segid " 1SG" and resid 8    and name HN  ))
   (( segid " 1SG" and resid 7    and name HB2 ))
      3.500     1.600     1.600 peak  1574 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      9.052 ppm2      2.577 CV     1
 ASSI { 1576}
   (( segid " 1SG" and resid 87   and name HN  ))
   (  segid " 1SG" and resid 87   and name HE% )
      3.800     1.800     1.800 peak  1576 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      9.114 ppm2      6.589 CV     1
 ASSI { 1577}
   (( segid " 1SG" and resid 31   and name HN  ))
   (( segid " 1SG" and resid 29   and name HA  ))
      3.000     1.100     1.100 peak  1577 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      8.417 ppm2      4.392 CV     1
 ASSI { 1578}
   (( segid " 1SG" and resid 31   and name HN  ))
   (( segid " 1SG" and resid 30   and name HA1 ))
      2.600     0.800     0.800 peak  1578 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      8.418 ppm2      3.945 CV     1
 ASSI { 1579}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 62   and name HA  ))
      2.900     2.900     3.100 peak  1579 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      8.722 ppm2      4.598 CV     1
 ASSI { 1582}
   (( segid " 1SG" and resid 10   and name HN  ))
   (( segid " 1SG" and resid 9    and name HB2 ))
      3.500     1.500     1.500 peak  1582 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      8.852 ppm2      1.895 CV     1
 ASSI { 1583}
   (( segid " 1SG" and resid 10   and name HN  ))
   (( segid " 1SG" and resid 100  and name HB2 ))
      3.400     3.400     2.600 peak  1583 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      8.852 ppm2      2.963 CV     1
 ASSI { 1584}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (( segid " 1SG" and resid 41   and name HH2 ))
      3.500     1.600     1.600 peak  1584 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1     10.779 ppm2      6.612 CV     1
 ASSI { 1585}
   (( segid " 1SG" and resid 21   and name HN  ))
   (( segid " 1SG" and resid 21   and name HB2 ))
      3.000     1.100     1.100 peak  1585 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      8.170 ppm2      3.751 CV     1
 ASSI { 1586}
   (( segid " 1SG" and resid 23   and name HN  ))
   (  segid " 1SG" and resid 104  and name HD1%)
      3.400     1.400     1.400 peak  1586 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      7.914 ppm2      0.954 CV     1
 ASSI { 1587}
   (( segid " 1SG" and resid 23   and name HN  ))
   (  segid " 1SG" and resid 22   and name HG2%)
      3.500     1.500     1.500 peak  1587 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      7.913 ppm2      0.580 CV     1
 ASSI { 1588}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      2.700     0.900     0.900 peak  1588 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      9.673 ppm2      2.815 CV     1
 ASSI { 1589}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 37   and name HB2 ))
      3.000     1.100     1.100 peak  1589 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      7.892 ppm2      1.363 CV     1
 OR { 1589}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 37   and name HG2 ))
 ASSI { 1590}
   (( segid " 1SG" and resid 39   and name HN  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      3.600     1.600     1.600 peak  1590 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      7.893 ppm2      0.175 CV     1
 ASSI { 1592}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 93   and name HB  ))
      2.600     0.900     0.900 peak  1592 spectrum    1 weight  0.10000E+01 volume  0.34142E-02 ppm1      7.547 ppm2      4.555 CV     1
 ASSI { 1593}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 95   and name HB2 ))
      3.400     1.500     1.500 peak  1593 spectrum    1 weight  0.10000E+01 volume  0.34142E-02 ppm1      7.546 ppm2      2.632 CV     1
 ASSI { 1595}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 95   and name HA  ))
      2.900     1.100     1.100 peak  1595 spectrum    1 weight  0.10000E+01 volume  0.34142E-02 ppm1      7.548 ppm2      4.750 CV     1
 ASSI { 1596}
   (( segid " 1SG" and resid 98   and name HN  ))
   (( segid " 1SG" and resid 7    and name HB2 ))
      3.200     3.200     2.800 peak  1596 spectrum    1 weight  0.10000E+01 volume  0.34142E-02 ppm1      8.415 ppm2      2.581 CV     1
 ASSI { 1597}
   (( segid " 1SG" and resid 101  and name HN  ))
   (( segid " 1SG" and resid 100  and name HB2 ))
      3.100     1.200     1.200 peak  1597 spectrum    1 weight  0.10000E+01 volume  0.34142E-02 ppm1      9.044 ppm2      2.950 CV     1
 ASSI { 1598}
   (( segid " 1SG" and resid 105  and name HN  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      3.400     1.400     1.400 peak  1598 spectrum    1 weight  0.10000E+01 volume  0.34142E-02 ppm1      8.401 ppm2      1.492 CV     1
 ASSI { 1599}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 15   and name HG2 ))
      3.100     1.200     1.200 peak  1599 spectrum    1 weight  0.10000E+01 volume  0.34142E-02 ppm1      8.404 ppm2      2.261 CV     1
 OR { 1599}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 15   and name HG1 ))
 ASSI { 1600}
   (( segid " 1SG" and resid 98   and name HN  ))
   (( segid " 1SG" and resid 91   and name HA  ))
      2.300     2.300     3.700 peak  1600 spectrum    1 weight  0.10000E+01 volume  0.34142E-02 ppm1      8.399 ppm2      4.758 CV     1
 ASSI { 1602}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 105  and name HB  ))
      3.200     1.200     1.200 peak  1602 spectrum    1 weight  0.10000E+01 volume  0.34142E-02 ppm1      8.150 ppm2      3.935 CV     1
 ASSI { 1603}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 106  and name HB  ))
      3.700     1.700     1.700 peak  1603 spectrum    1 weight  0.10000E+01 volume  0.34142E-02 ppm1      8.820 ppm2      1.850 CV     1
 ASSI { 1605}
   (( segid " 1SG" and resid 38   and name HN  ))
   (  segid " 1SG" and resid 38   and name HG2%)
      2.700     0.900     0.900 peak  1605 spectrum    1 weight  0.10000E+01 volume  0.34142E-02 ppm1      8.373 ppm2      0.790 CV     1
 ASSI { 1606}
   (( segid " 1SG" and resid 19   and name HN  ))
   (( segid " 1SG" and resid 19   and name HA2 ))
      2.600     0.900     0.900 peak  1606 spectrum    1 weight  0.10000E+01 volume  0.34142E-02 ppm1      9.828 ppm2      4.311 CV     1
 ASSI { 1608}
   (( segid " 1SG" and resid 85   and name HN  ))
   (  segid " 1SG" and resid 87   and name HD% )
      3.200     3.200     2.800 peak  1608 spectrum    1 weight  0.10000E+01 volume  0.34142E-02 ppm1      9.409 ppm2      6.792 CV     1
 ASSI { 1609}
   (( segid " 1SG" and resid 101  and name HD21))
   (( segid " 1SG" and resid 101  and name HB2 ))
      2.900     1.000     1.000 peak  1609 spectrum    1 weight  0.10000E+01 volume  0.34142E-02 ppm1      7.436 ppm2      2.696 CV     1
 ASSI { 1613}
   (( segid " 1SG" and resid 28   and name HN  ))
   (  segid " 1SG" and resid 72   and name HD% )
      2.900     1.100     1.100 peak  1613 spectrum    1 weight  0.10000E+01 volume  0.34160E-02 ppm1      9.673 ppm2      7.309 CV     1
 ASSI { 1614}
   (( segid " 1SG" and resid 68   and name HN  ))
   (( segid " 1SG" and resid 66   and name HA  ))
      3.600     1.700     1.700 peak  1614 spectrum    1 weight  0.10000E+01 volume  0.34142E-02 ppm1      7.876 ppm2      4.125 CV     1
 ASSI {    1}
   (( segid " 1SG" and resid 43   and name HD2 ))
   (( segid " 1SG" and resid 43   and name HG2 ))
      2.100     0.600     0.600 peak     1 spectrum    1 weight  0.10000E+01 volume  0.82248E-02 ppm1      1.317 ppm2      0.086 CV     1
 OR {    1}
   (( segid " 1SG" and resid 43   and name HD1 ))
   (( segid " 1SG" and resid 43   and name HG2 ))
 ASSI {    2}
   (( segid " 1SG" and resid 41   and name HA  ))
   (( segid " 1SG" and resid 89   and name HA  ))
      2.100     0.500     0.500 peak     2 spectrum    1 weight  0.10000E+01 volume  0.82280E-02 ppm1      5.478 ppm2      4.971 CV     1
 ASSI {   16}
   (( segid " 1SG" and resid 65   and name HG1 ))
   (( segid " 1SG" and resid 65   and name HB1 ))
      2.100     0.600     0.600 peak    16 spectrum    1 weight  0.10000E+01 volume  0.82319E-02 ppm1      1.688 ppm2      1.765 CV     1
 OR {   16}
   (( segid " 1SG" and resid 65   and name HG2 ))
   (( segid " 1SG" and resid 65   and name HB2 ))
 OR {   16}
   (( segid " 1SG" and resid 65   and name HG1 ))
   (( segid " 1SG" and resid 65   and name HB2 ))
 OR {   16}
   (( segid " 1SG" and resid 65   and name HG2 ))
   (( segid " 1SG" and resid 65   and name HB1 ))
 ASSI {   41}
   (( segid " 1SG" and resid 41   and name HA  ))
   (( segid " 1SG" and resid 90   and name HB2 ))
      2.400     2.400     3.600 peak    41 spectrum    1 weight  0.10000E+01 volume  0.81152E-02 ppm1      5.495 ppm2      2.057 CV     1
 ASSI {   98}
   (( segid " 1SG" and resid 87   and name HA  ))
   (( segid " 1SG" and resid 43   and name HA  ))
      2.000     0.500     0.500 peak    98 spectrum    1 weight  0.10000E+01 volume  0.81152E-02 ppm1      4.980 ppm2      4.145 CV     1
 ASSI {  113}
   (( segid " 1SG" and resid 61   and name HA  ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      2.400     2.400     3.600 peak   113 spectrum    1 weight  0.10000E+01 volume  0.81152E-02 ppm1      5.518 ppm2      2.821 CV     1
 ASSI {  159}
   (  segid " 1SG" and resid 93   and name HG2%)
   (( segid " 1SG" and resid 37   and name HA  ))
      2.000     0.500     0.500 peak   159 spectrum    1 weight  0.10000E+01 volume  0.82119E-02 ppm1      1.041 ppm2      4.505 CV     1
 ASSI {  173}
   (( segid " 1SG" and resid 92   and name HB2 ))
   (( segid " 1SG" and resid 38   and name HA  ))
      1.600     1.600     4.400 peak   173 spectrum    1 weight  0.10000E+01 volume  0.22992E-01 ppm1      3.883 ppm2      3.881 CV     1
 OR {  173}
   (( segid " 1SG" and resid 92   and name HB1 ))
   (( segid " 1SG" and resid 38   and name HA  ))
 ASSI {  174}
   (( segid " 1SG" and resid 72   and name HB2 ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      2.000     2.000     4.000 peak   174 spectrum    1 weight  0.10000E+01 volume  0.22551E-01 ppm1      2.926 ppm2      2.791 CV     1
 ASSI {  175}
   (( segid " 1SG" and resid 32   and name HA  ))
   (( segid " 1SG" and resid 32   and name HB1 ))
      2.200     0.600     0.600 peak   175 spectrum    1 weight  0.10000E+01 volume  0.81287E-02 ppm1      4.518 ppm2      3.914 CV     1
 OR {  175}
   (( segid " 1SG" and resid 32   and name HA  ))
   (( segid " 1SG" and resid 32   and name HB2 ))
 ASSI {  183}
   (( segid " 1SG" and resid 74   and name HA  ))
   (( segid " 1SG" and resid 59   and name HA  ))
      2.000     0.500     0.500 peak   183 spectrum    1 weight  0.10000E+01 volume  0.81287E-02 ppm1      4.344 ppm2      5.189 CV     1
 ASSI {  185}
   (( segid " 1SG" and resid 74   and name HA  ))
   (  segid " 1SG" and resid 74   and name HD1%)
      2.100     0.500     0.500 peak   185 spectrum    1 weight  0.10000E+01 volume  0.81287E-02 ppm1      4.326 ppm2      0.405 CV     1
 OR {  185}
   (( segid " 1SG" and resid 74   and name HA  ))
   (  segid " 1SG" and resid 74   and name HD2%)
 ASSI {  218}
   (( segid " 1SG" and resid 94   and name HD2 ))
   (( segid " 1SG" and resid 94   and name HG2 ))
      1.800     0.400     0.400 peak   218 spectrum    1 weight  0.10000E+01 volume  0.19064E-01 ppm1      1.680 ppm2      1.415 CV     1
 OR {  218}
   (( segid " 1SG" and resid 94   and name HD1 ))
   (( segid " 1SG" and resid 94   and name HG1 ))
 OR {  218}
   (( segid " 1SG" and resid 94   and name HD2 ))
   (( segid " 1SG" and resid 94   and name HG1 ))
 OR {  218}
   (( segid " 1SG" and resid 94   and name HD1 ))
   (( segid " 1SG" and resid 94   and name HG2 ))
 ASSI {  253}
   (( segid " 1SG" and resid 55   and name HG1 ))
   (( segid " 1SG" and resid 55   and name HB2 ))
      2.000     0.500     0.500 peak   253 spectrum    1 weight  0.10000E+01 volume  0.15780E-01 ppm1      1.989 ppm2      1.788 CV     1
 OR {  253}
   (( segid " 1SG" and resid 55   and name HG2 ))
   (( segid " 1SG" and resid 55   and name HB2 ))
 ASSI {  275}
   (( segid " 1SG" and resid 81   and name HB2 ))
   (( segid " 1SG" and resid 81   and name HA  ))
      2.300     0.600     0.600 peak   275 spectrum    1 weight  0.10000E+01 volume  0.81429E-02 ppm1      1.927 ppm2      4.000 CV     1
 ASSI {  282}
   (  segid " 1SG" and resid 84   and name HG2%)
   (( segid " 1SG" and resid 84   and name HB  ))
      2.000     0.500     0.500 peak   282 spectrum    1 weight  0.10000E+01 volume  0.13432E-01 ppm1      1.497 ppm2      4.224 CV     1
 OR {  282}
   (  segid " 1SG" and resid 84   and name HG2%)
   (( segid " 1SG" and resid 84   and name HA  ))
 ASSI {  302}
   (  segid " 1SG" and resid 4    and name HD1%)
   (( segid " 1SG" and resid 4    and name HB  ))
      2.100     0.500     0.500 peak   302 spectrum    1 weight  0.10000E+01 volume  0.81461E-02 ppm1      0.966 ppm2      2.051 CV     1
 ASSI {  313}
   (  segid " 1SG" and resid 66   and name HB% )
   (( segid " 1SG" and resid 66   and name HA  ))
      2.100     0.500     0.500 peak   313 spectrum    1 weight  0.10000E+01 volume  0.11320E-01 ppm1      1.419 ppm2      4.132 CV     1
 ASSI {  316}
   (( segid " 1SG" and resid 35   and name HG2 ))
   (( segid " 1SG" and resid 35   and name HB1 ))
      2.100     0.500     0.500 peak   316 spectrum    1 weight  0.10000E+01 volume  0.81603E-02 ppm1      1.346 ppm2      1.779 CV     1
 OR {  316}
   (( segid " 1SG" and resid 35   and name HG2 ))
   (( segid " 1SG" and resid 35   and name HB2 ))
 OR {  316}
   (( segid " 1SG" and resid 35   and name HG1 ))
   (( segid " 1SG" and resid 35   and name HB1 ))
 OR {  316}
   (( segid " 1SG" and resid 35   and name HG1 ))
   (( segid " 1SG" and resid 35   and name HB2 ))
 ASSI {  323}
   (( segid " 1SG" and resid 94   and name HG1 ))
   (( segid " 1SG" and resid 94   and name HB2 ))
      2.100     0.500     0.500 peak   323 spectrum    1 weight  0.10000E+01 volume  0.81603E-02 ppm1      1.415 ppm2      1.794 CV     1
 OR {  323}
   (( segid " 1SG" and resid 94   and name HG2 ))
   (( segid " 1SG" and resid 94   and name HB2 ))
 ASSI {  328}
   (( segid " 1SG" and resid 34   and name HG  ))
   (  segid " 1SG" and resid 34   and name HD1%)
      2.100     0.600     0.600 peak   328 spectrum    1 weight  0.10000E+01 volume  0.81603E-02 ppm1      0.934 ppm2      0.862 CV     1
 OR {  328}
   (( segid " 1SG" and resid 34   and name HG  ))
   (  segid " 1SG" and resid 34   and name HD2%)
 ASSI {  335}
   (( segid " 1SG" and resid 3    and name HB2 ))
   (( segid " 1SG" and resid 4    and name HB  ))
      2.400     2.400     3.600 peak   335 spectrum    1 weight  0.10000E+01 volume  0.10310E-01 ppm1      2.299 ppm2      2.004 CV     1
 OR {  335}
   (( segid " 1SG" and resid 3    and name HB1 ))
   (( segid " 1SG" and resid 4    and name HB  ))
 ASSI {  336}
   (( segid " 1SG" and resid 68   and name HD2 ))
   (( segid " 1SG" and resid 68   and name HB2 ))
      2.300     0.600     0.600 peak   336 spectrum    1 weight  0.10000E+01 volume  0.81603E-02 ppm1      1.673 ppm2      1.771 CV     1
 OR {  336}
   (( segid " 1SG" and resid 68   and name HD1 ))
   (( segid " 1SG" and resid 68   and name HB2 ))
 ASSI {  342}
   (( segid " 1SG" and resid 36   and name HB2 ))
   (( segid " 1SG" and resid 36   and name HD2 ))
      2.200     2.200     3.800 peak   342 spectrum    1 weight  0.10000E+01 volume  0.81603E-02 ppm1      1.641 ppm2      3.510 CV     1
 ASSI {  345}
   (  segid " 1SG" and resid 69   and name HG1%)
   (( segid " 1SG" and resid 69   and name HB  ))
      2.100     0.500     0.500 peak   345 spectrum    1 weight  0.10000E+01 volume  0.10078E-01 ppm1      0.862 ppm2      1.752 CV     1
 OR {  345}
   (  segid " 1SG" and resid 69   and name HG2%)
   (( segid " 1SG" and resid 69   and name HB  ))
 ASSI {  349}
   (  segid " 1SG" and resid 82   and name HB% )
   (( segid " 1SG" and resid 82   and name HA  ))
      2.100     0.600     0.600 peak   349 spectrum    1 weight  0.10000E+01 volume  0.98682E-02 ppm1      1.321 ppm2      4.210 CV     1
 ASSI {  353}
   (  segid " 1SG" and resid 16   and name HG1%)
   (  segid " 1SG" and resid 16   and name HG2%)
      2.100     0.600     0.600 peak   353 spectrum    1 weight  0.10000E+01 volume  0.98012E-02 ppm1      0.980 ppm2      0.628 CV     1
 ASSI {  354}
   (( segid " 1SG" and resid 21   and name HB2 ))
   (( segid " 1SG" and resid 23   and name HB  ))
      2.200     2.200     3.800 peak   354 spectrum    1 weight  0.10000E+01 volume  0.97476E-02 ppm1      3.720 ppm2      3.604 CV     1
 ASSI {  356}
   (( segid " 1SG" and resid 104  and name HG  ))
   (( segid " 1SG" and resid 104  and name HB2 ))
      2.100     0.500     0.500 peak   356 spectrum    1 weight  0.10000E+01 volume  0.81603E-02 ppm1      1.339 ppm2      1.226 CV     1
 ASSI {  357}
   (( segid " 1SG" and resid 104  and name HG  ))
   (  segid " 1SG" and resid 104  and name HD1%)
      2.100     0.500     0.500 peak   357 spectrum    1 weight  0.10000E+01 volume  0.81603E-02 ppm1      1.341 ppm2      0.980 CV     1
 ASSI {  358}
   (( segid " 1SG" and resid 65   and name HD2 ))
   (( segid " 1SG" and resid 65   and name HG2 ))
      2.100     0.500     0.500 peak   358 spectrum    1 weight  0.10000E+01 volume  0.96419E-02 ppm1      3.238 ppm2      1.683 CV     1
 OR {  358}
   (( segid " 1SG" and resid 65   and name HD1 ))
   (( segid " 1SG" and resid 65   and name HG1 ))
 OR {  358}
   (( segid " 1SG" and resid 65   and name HD2 ))
   (( segid " 1SG" and resid 65   and name HG1 ))
 OR {  358}
   (( segid " 1SG" and resid 65   and name HD1 ))
   (( segid " 1SG" and resid 65   and name HG2 ))
 ASSI {  359}
   (( segid " 1SG" and resid 104  and name HG  ))
   (  segid " 1SG" and resid 104  and name HD2%)
      2.100     0.500     0.500 peak   359 spectrum    1 weight  0.10000E+01 volume  0.81603E-02 ppm1      1.342 ppm2      0.832 CV     1
 ASSI {  363}
   (  segid " 1SG" and resid 8    and name HG2%)
   (( segid " 1SG" and resid 8    and name HB  ))
      2.000     0.500     0.500 peak   363 spectrum    1 weight  0.10000E+01 volume  0.95239E-02 ppm1      0.979 ppm2      1.824 CV     1
 OR {  363}
   (  segid " 1SG" and resid 8    and name HG1%)
   (( segid " 1SG" and resid 8    and name HB  ))
 ASSI {  364}
   (( segid " 1SG" and resid 59   and name HG  ))
   (  segid " 1SG" and resid 59   and name HD2%)
      2.100     0.500     0.500 peak   364 spectrum    1 weight  0.10000E+01 volume  0.81603E-02 ppm1      1.424 ppm2      0.682 CV     1
 ASSI {  375}
   (( segid " 1SG" and resid 4    and name HG12))
   (  segid " 1SG" and resid 4    and name HG2%)
      2.000     0.500     0.500 peak   375 spectrum    1 weight  0.10000E+01 volume  0.81603E-02 ppm1      1.245 ppm2      0.917 CV     1
 ASSI {  377}
   (  segid " 1SG" and resid 71   and name HD2%)
   (  segid " 1SG" and resid 71   and name HD1%)
      2.100     0.600     0.600 peak   377 spectrum    1 weight  0.10000E+01 volume  0.92338E-02 ppm1      0.746 ppm2      0.857 CV     1
 ASSI {  384}
   (( segid " 1SG" and resid 81   and name HD2 ))
   (  segid " 1SG" and resid 18   and name HG2%)
      2.600     0.900     0.900 peak   384 spectrum    1 weight  0.10000E+01 volume  0.81629E-02 ppm1      3.587 ppm2      0.967 CV     1
 OR {  384}
   (( segid " 1SG" and resid 81   and name HD2 ))
   (  segid " 1SG" and resid 18   and name HG1%)
 ASSI {  388}
   (( segid " 1SG" and resid 34   and name HG  ))
   (( segid " 1SG" and resid 34   and name HB2 ))
      2.100     0.600     0.600 peak   388 spectrum    1 weight  0.10000E+01 volume  0.89514E-02 ppm1      0.935 ppm2      1.675 CV     1
 OR {  388}
   (( segid " 1SG" and resid 34   and name HG  ))
   (( segid " 1SG" and resid 34   and name HB1 ))
 ASSI {  403}
   (  segid " 1SG" and resid 34   and name HD2%)
   (( segid " 1SG" and resid 34   and name HB2 ))
      2.200     0.600     0.600 peak   403 spectrum    1 weight  0.10000E+01 volume  0.87264E-02 ppm1      0.863 ppm2      1.651 CV     1
 OR {  403}
   (  segid " 1SG" and resid 34   and name HD1%)
   (( segid " 1SG" and resid 34   and name HB1 ))
 OR {  403}
   (  segid " 1SG" and resid 34   and name HD2%)
   (( segid " 1SG" and resid 34   and name HB1 ))
 OR {  403}
   (  segid " 1SG" and resid 34   and name HD1%)
   (( segid " 1SG" and resid 34   and name HB2 ))
 ASSI {  404}
   (  segid " 1SG" and resid 33   and name HD1%)
   (( segid " 1SG" and resid 33   and name HB2 ))
      2.300     0.700     0.700 peak   404 spectrum    1 weight  0.10000E+01 volume  0.86838E-02 ppm1      0.873 ppm2      1.725 CV     1
 OR {  404}
   (  segid " 1SG" and resid 33   and name HD2%)
   (( segid " 1SG" and resid 33   and name HB2 ))
 ASSI {  405}
   (( segid " 1SG" and resid 96   and name HB2 ))
   (  segid " 1SG" and resid 6    and name HD2%)
      2.100     0.600     0.600 peak   405 spectrum    1 weight  0.10000E+01 volume  0.81629E-02 ppm1      1.583 ppm2      0.481 CV     1
 ASSI {  406}
   (( segid " 1SG" and resid 35   and name HB2 ))
   (( segid " 1SG" and resid 35   and name HD1 ))
      2.100     0.600     0.600 peak   406 spectrum    1 weight  0.10000E+01 volume  0.86419E-02 ppm1      1.791 ppm2      1.632 CV     1
 OR {  406}
   (( segid " 1SG" and resid 35   and name HB2 ))
   (( segid " 1SG" and resid 35   and name HD2 ))
 OR {  406}
   (( segid " 1SG" and resid 35   and name HB1 ))
   (( segid " 1SG" and resid 35   and name HD1 ))
 OR {  406}
   (( segid " 1SG" and resid 35   and name HB1 ))
   (( segid " 1SG" and resid 35   and name HD2 ))
 ASSI {  414}
   (( segid " 1SG" and resid 33   and name HB2 ))
   (( segid " 1SG" and resid 33   and name HG  ))
      1.900     0.500     0.500 peak   414 spectrum    1 weight  0.10000E+01 volume  0.81739E-02 ppm1      1.739 ppm2      0.923 CV     1
 ASSI {  415}
   (  segid " 1SG" and resid 31   and name HB% )
   (( segid " 1SG" and resid 31   and name HA  ))
      2.100     0.600     0.600 peak   415 spectrum    1 weight  0.10000E+01 volume  0.85227E-02 ppm1      1.537 ppm2      4.174 CV     1
 ASSI {  416}
   (( segid " 1SG" and resid 2    and name HB2 ))
   (( segid " 1SG" and resid 1    and name HB2 ))
      2.600     2.600     3.400 peak   416 spectrum    1 weight  0.10000E+01 volume  0.81739E-02 ppm1      2.691 ppm2      2.601 CV     1
 ASSI {  419}
   (( segid " 1SG" and resid 1    and name HB2 ))
   (( segid " 1SG" and resid 97   and name HB2 ))
      2.500     2.500     3.500 peak   419 spectrum    1 weight  0.10000E+01 volume  0.81739E-02 ppm1      2.599 ppm2      2.691 CV     1
 ASSI {  425}
   (  segid " 1SG" and resid 76   and name HD1%)
   (  segid " 1SG" and resid 76   and name HG2%)
      2.100     0.500     0.500 peak   425 spectrum    1 weight  0.10000E+01 volume  0.82841E-02 ppm1      0.678 ppm2      0.829 CV     1
 ASSI {  427}
   (  segid " 1SG" and resid 59   and name HD1%)
   (  segid " 1SG" and resid 59   and name HD2%)
      2.100     0.600     0.600 peak   427 spectrum    1 weight  0.10000E+01 volume  0.82203E-02 ppm1      0.863 ppm2      0.716 CV     1
 ASSI {  435}
   (( segid " 1SG" and resid 94   and name HE1 ))
   (( segid " 1SG" and resid 94   and name HD2 ))
      2.100     0.500     0.500 peak   435 spectrum    1 weight  0.10000E+01 volume  0.80636E-02 ppm1      2.967 ppm2      1.689 CV     1
 OR {  435}
   (( segid " 1SG" and resid 94   and name HE2 ))
   (( segid " 1SG" and resid 94   and name HD2 ))
 OR {  435}
   (( segid " 1SG" and resid 94   and name HE1 ))
   (( segid " 1SG" and resid 94   and name HD1 ))
 OR {  435}
   (( segid " 1SG" and resid 94   and name HE2 ))
   (( segid " 1SG" and resid 94   and name HD1 ))
 ASSI {  438}
   (( segid " 1SG" and resid 108  and name HG2 ))
   (  segid " 1SG" and resid 18   and name HG2%)
      2.300     0.600     0.600 peak   438 spectrum    1 weight  0.10000E+01 volume  0.81874E-02 ppm1      2.209 ppm2      0.961 CV     1
 OR {  438}
   (( segid " 1SG" and resid 108  and name HG1 ))
   (  segid " 1SG" and resid 18   and name HG2%)
 ASSI {  443}
   (  segid " 1SG" and resid 106  and name HG2%)
   (  segid " 1SG" and resid 106  and name HG1%)
      2.100     0.600     0.600 peak   443 spectrum    1 weight  0.10000E+01 volume  0.78534E-02 ppm1      0.390 ppm2      0.692 CV     1
 ASSI {  458}
   (  segid " 1SG" and resid 23   and name HG2%)
   (( segid " 1SG" and resid 23   and name HB  ))
      2.200     0.600     0.600 peak   458 spectrum    1 weight  0.10000E+01 volume  0.76097E-02 ppm1      0.783 ppm2      3.578 CV     1
 ASSI {  460}
   (( segid " 1SG" and resid 50   and name HB2 ))
   (( segid " 1SG" and resid 50   and name HA  ))
      2.100     0.600     0.600 peak   460 spectrum    1 weight  0.10000E+01 volume  0.81874E-02 ppm1      4.031 ppm2      3.944 CV     1
 ASSI {  463}
   (( segid " 1SG" and resid 35   and name HE2 ))
   (( segid " 1SG" and resid 35   and name HD2 ))
      2.100     0.600     0.600 peak   463 spectrum    1 weight  0.10000E+01 volume  0.74298E-02 ppm1      2.950 ppm2      1.649 CV     1
 OR {  463}
   (( segid " 1SG" and resid 35   and name HE1 ))
   (( segid " 1SG" and resid 35   and name HD1 ))
 OR {  463}
   (( segid " 1SG" and resid 35   and name HE1 ))
   (( segid " 1SG" and resid 35   and name HD2 ))
 OR {  463}
   (( segid " 1SG" and resid 35   and name HE2 ))
   (( segid " 1SG" and resid 35   and name HD1 ))
 ASSI {  464}
   (( segid " 1SG" and resid 4    and name HA  ))
   (  segid " 1SG" and resid 4    and name HG2%)
      2.200     0.600     0.600 peak   464 spectrum    1 weight  0.10000E+01 volume  0.81874E-02 ppm1      4.027 ppm2      0.915 CV     1
 ASSI {  478}
   (  segid " 1SG" and resid 84   and name HG2%)
   (( segid " 1SG" and resid 105  and name HA  ))
      2.200     0.600     0.600 peak   478 spectrum    1 weight  0.10000E+01 volume  0.71558E-02 ppm1      1.498 ppm2      4.518 CV     1
 ASSI {  480}
   (( segid " 1SG" and resid 17   and name HB  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      2.200     0.600     0.600 peak   480 spectrum    1 weight  0.10000E+01 volume  0.71307E-02 ppm1      4.089 ppm2      1.298 CV     1
 ASSI {  482}
   (  segid " 1SG" and resid 34   and name HD1%)
   (( segid " 1SG" and resid 34   and name HA  ))
      2.300     0.600     0.600 peak   482 spectrum    1 weight  0.10000E+01 volume  0.70836E-02 ppm1      0.863 ppm2      4.298 CV     1
 OR {  482}
   (  segid " 1SG" and resid 34   and name HD2%)
   (( segid " 1SG" and resid 34   and name HA  ))
 ASSI {  483}
   (  segid " 1SG" and resid 104  and name HD1%)
   (  segid " 1SG" and resid 16   and name HG2%)
      2.200     0.600     0.600 peak   483 spectrum    1 weight  0.10000E+01 volume  0.70778E-02 ppm1      0.982 ppm2      0.618 CV     1
 ASSI {  485}
   (  segid " 1SG" and resid 6    and name HD1%)
   (  segid " 1SG" and resid 6    and name HD2%)
      2.200     0.600     0.600 peak   485 spectrum    1 weight  0.10000E+01 volume  0.70185E-02 ppm1      0.674 ppm2      0.488 CV     1
 ASSI {  492}
   (  segid " 1SG" and resid 18   and name HG2%)
   (  segid " 1SG" and resid 106  and name HG2%)
      2.200     0.600     0.600 peak   492 spectrum    1 weight  0.10000E+01 volume  0.69399E-02 ppm1      0.966 ppm2      0.388 CV     1
 ASSI {  500}
   (( segid " 1SG" and resid 49   and name HG  ))
   (  segid " 1SG" and resid 49   and name HD1%)
      2.000     0.500     0.500 peak   500 spectrum    1 weight  0.10000E+01 volume  0.82280E-02 ppm1      0.799 ppm2      1.765 CV     1
 ASSI {  501}
   (  segid " 1SG" and resid 91   and name HG2%)
   (( segid " 1SG" and resid 37   and name HB2 ))
      2.100     0.600     0.600 peak   501 spectrum    1 weight  0.10000E+01 volume  0.81906E-02 ppm1      0.184 ppm2      1.380 CV     1
 OR {  501}
   (  segid " 1SG" and resid 91   and name HG1%)
   (( segid " 1SG" and resid 37   and name HB2 ))
 ASSI {  504}
   (  segid " 1SG" and resid 69   and name HG1%)
   (( segid " 1SG" and resid 69   and name HA  ))
      2.200     0.600     0.600 peak   504 spectrum    1 weight  0.10000E+01 volume  0.67929E-02 ppm1      0.862 ppm2      4.593 CV     1
 OR {  504}
   (  segid " 1SG" and resid 69   and name HG2%)
   (( segid " 1SG" and resid 69   and name HA  ))
 ASSI {  507}
   (  segid " 1SG" and resid 38   and name HG2%)
   (( segid " 1SG" and resid 38   and name HB  ))
      2.200     0.600     0.600 peak   507 spectrum    1 weight  0.10000E+01 volume  0.67600E-02 ppm1      0.828 ppm2      1.896 CV     1
 OR {  507}
   (  segid " 1SG" and resid 38   and name HG1%)
   (( segid " 1SG" and resid 38   and name HB  ))
 ASSI {  511}
   (( segid " 1SG" and resid 77   and name HB  ))
   (  segid " 1SG" and resid 77   and name HG2%)
      2.200     0.600     0.600 peak   511 spectrum    1 weight  0.10000E+01 volume  0.67381E-02 ppm1      4.025 ppm2      1.045 CV     1
 ASSI {  515}
   (  segid " 1SG" and resid 47   and name HG2%)
   (  segid " 1SG" and resid 47   and name HG1%)
      2.200     0.600     0.600 peak   515 spectrum    1 weight  0.10000E+01 volume  0.67090E-02 ppm1      0.794 ppm2      0.992 CV     1
 ASSI {  522}
   (  segid " 1SG" and resid 39   and name HG1%)
   (  segid " 1SG" and resid 39   and name HG2%)
      2.200     0.600     0.600 peak   522 spectrum    1 weight  0.10000E+01 volume  0.66181E-02 ppm1     -0.062 ppm2     -0.447 CV     1
 ASSI {  524}
   (( segid " 1SG" and resid 52   and name HD2 ))
   (( segid " 1SG" and resid 52   and name HG1 ))
      2.200     0.600     0.600 peak   524 spectrum    1 weight  0.10000E+01 volume  0.65943E-02 ppm1      1.579 ppm2      1.341 CV     1
 OR {  524}
   (( segid " 1SG" and resid 52   and name HD1 ))
   (( segid " 1SG" and resid 52   and name HG2 ))
 OR {  524}
   (( segid " 1SG" and resid 52   and name HD1 ))
   (( segid " 1SG" and resid 52   and name HG1 ))
 OR {  524}
   (( segid " 1SG" and resid 52   and name HD2 ))
   (( segid " 1SG" and resid 52   and name HG2 ))
 ASSI {  527}
   (( segid " 1SG" and resid 49   and name HG  ))
   (  segid " 1SG" and resid 59   and name HD1%)
      2.600     2.600     3.400 peak   527 spectrum    1 weight  0.10000E+01 volume  0.81932E-02 ppm1      0.848 ppm2      0.850 CV     1
 ASSI {  536}
   (  segid " 1SG" and resid 38   and name HG1%)
   (( segid " 1SG" and resid 38   and name HA  ))
      2.200     0.600     0.600 peak   536 spectrum    1 weight  0.10000E+01 volume  0.65079E-02 ppm1      0.835 ppm2      3.900 CV     1
 OR {  536}
   (  segid " 1SG" and resid 38   and name HG2%)
   (( segid " 1SG" and resid 38   and name HA  ))
 ASSI {  541}
   (  segid " 1SG" and resid 59   and name HD2%)
   (  segid " 1SG" and resid 74   and name HD1%)
      2.400     0.700     0.700 peak   541 spectrum    1 weight  0.10000E+01 volume  0.64963E-02 ppm1      0.714 ppm2      0.412 CV     1
 OR {  541}
   (  segid " 1SG" and resid 59   and name HD2%)
   (  segid " 1SG" and resid 74   and name HD2%)
 ASSI {  544}
   (( segid " 1SG" and resid 54   and name HA1 ))
   (( segid " 1SG" and resid 54   and name HA2 ))
      2.000     0.500     0.500 peak   544 spectrum    1 weight  0.10000E+01 volume  0.64840E-02 ppm1      3.915 ppm2      4.302 CV     1
 ASSI {  547}
   (  segid " 1SG" and resid 33   and name HD2%)
   (( segid " 1SG" and resid 33   and name HA  ))
      2.600     0.800     0.800 peak   547 spectrum    1 weight  0.10000E+01 volume  0.64602E-02 ppm1      0.873 ppm2      4.455 CV     1
 OR {  547}
   (  segid " 1SG" and resid 33   and name HD1%)
   (( segid " 1SG" and resid 33   and name HA  ))
 ASSI {  548}
   (  segid " 1SG" and resid 28   and name HG1%)
   (  segid " 1SG" and resid 29   and name HB% )
      2.500     2.500     3.500 peak   548 spectrum    1 weight  0.10000E+01 volume  0.81932E-02 ppm1      0.819 ppm2      1.521 CV     1
 ASSI {  558}
   (  segid " 1SG" and resid 29   and name HB% )
   (( segid " 1SG" and resid 29   and name HA  ))
      2.200     0.600     0.600 peak   558 spectrum    1 weight  0.10000E+01 volume  0.63015E-02 ppm1      1.520 ppm2      4.393 CV     1
 ASSI {  563}
   (  segid " 1SG" and resid 104  and name HD2%)
   (  segid " 1SG" and resid 106  and name HG1%)
      2.300     0.700     0.700 peak   563 spectrum    1 weight  0.10000E+01 volume  0.61995E-02 ppm1      0.837 ppm2      0.684 CV     1
 ASSI {  571}
   (  segid " 1SG" and resid 93   and name HG2%)
   (( segid " 1SG" and resid 93   and name HB  ))
      2.100     0.600     0.600 peak   571 spectrum    1 weight  0.10000E+01 volume  0.61366E-02 ppm1      1.040 ppm2      4.557 CV     1
 ASSI {  572}
   (  segid " 1SG" and resid 104  and name HD2%)
   (  segid " 1SG" and resid 104  and name HD1%)
      2.300     0.600     0.600 peak   572 spectrum    1 weight  0.10000E+01 volume  0.61129E-02 ppm1      0.836 ppm2      0.981 CV     1
 ASSI {  574}
   (  segid " 1SG" and resid 53   and name HG2%)
   (( segid " 1SG" and resid 53   and name HB  ))
      2.200     0.600     0.600 peak   574 spectrum    1 weight  0.10000E+01 volume  0.60827E-02 ppm1      1.080 ppm2      2.129 CV     1
 OR {  574}
   (  segid " 1SG" and resid 53   and name HG1%)
   (( segid " 1SG" and resid 53   and name HB  ))
 ASSI {  581}
   (( segid " 1SG" and resid 67   and name HB1 ))
   (( segid " 1SG" and resid 67   and name HA  ))
      2.300     0.700     0.700 peak   581 spectrum    1 weight  0.10000E+01 volume  0.60052E-02 ppm1      3.729 ppm2      4.301 CV     1
 OR {  581}
   (( segid " 1SG" and resid 67   and name HB2 ))
   (( segid " 1SG" and resid 67   and name HA  ))
 ASSI {  582}
   (( segid " 1SG" and resid 53   and name HB  ))
   (  segid " 1SG" and resid 53   and name HG1%)
      2.200     0.600     0.600 peak   582 spectrum    1 weight  0.10000E+01 volume  0.60004E-02 ppm1      2.134 ppm2      1.116 CV     1
 ASSI {  589}
   (  segid " 1SG" and resid 76   and name HG2%)
   (  segid " 1SG" and resid 57   and name HD1%)
      2.700     0.900     0.900 peak   589 spectrum    1 weight  0.10000E+01 volume  0.81990E-02 ppm1      0.826 ppm2      0.616 CV     1
 OR {  589}
   (  segid " 1SG" and resid 76   and name HG2%)
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI {  592}
   (( segid " 1SG" and resid 53   and name HB  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      2.200     0.600     0.600 peak   592 spectrum    1 weight  0.10000E+01 volume  0.59070E-02 ppm1      2.134 ppm2      1.084 CV     1
 ASSI {  594}
   (  segid " 1SG" and resid 76   and name HD1%)
   (  segid " 1SG" and resid 74   and name HD2%)
      2.100     0.500     0.500 peak   594 spectrum    1 weight  0.10000E+01 volume  0.81990E-02 ppm1      0.676 ppm2      0.417 CV     1
 OR {  594}
   (  segid " 1SG" and resid 76   and name HD1%)
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI {  604}
   (( segid " 1SG" and resid 85   and name HA1 ))
   (( segid " 1SG" and resid 85   and name HA2 ))
      2.000     0.500     0.500 peak   604 spectrum    1 weight  0.10000E+01 volume  0.58238E-02 ppm1      3.939 ppm2      4.518 CV     1
 ASSI {  606}
   (( segid " 1SG" and resid 89   and name HA  ))
   (( segid " 1SG" and resid 99   and name HB2 ))
      2.400     2.400     3.600 peak   606 spectrum    1 weight  0.10000E+01 volume  0.81990E-02 ppm1      4.981 ppm2      2.748 CV     1
 ASSI {  611}
   (( segid " 1SG" and resid 20   and name HA2 ))
   (( segid " 1SG" and resid 20   and name HA1 ))
      2.000     0.500     0.500 peak   611 spectrum    1 weight  0.10000E+01 volume  0.57378E-02 ppm1      4.387 ppm2      3.737 CV     1
 ASSI {  612}
   (  segid " 1SG" and resid 18   and name HG1%)
   (( segid " 1SG" and resid 18   and name HB  ))
      2.300     0.600     0.600 peak   612 spectrum    1 weight  0.10000E+01 volume  0.57312E-02 ppm1      1.013 ppm2      1.941 CV     1
 ASSI {  613}
   (( segid " 1SG" and resid 3    and name HD1 ))
   (( segid " 1SG" and resid 2    and name HA  ))
      2.200     0.600     0.600 peak   613 spectrum    1 weight  0.10000E+01 volume  0.57142E-02 ppm1      3.854 ppm2      4.913 CV     1
 OR {  613}
   (( segid " 1SG" and resid 3    and name HD2 ))
   (( segid " 1SG" and resid 2    and name HA  ))
 ASSI {  617}
   (( segid " 1SG" and resid 84   and name HB  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      2.300     0.700     0.700 peak   617 spectrum    1 weight  0.10000E+01 volume  0.56643E-02 ppm1      4.220 ppm2      1.497 CV     1
 ASSI {  623}
   (( segid " 1SG" and resid 38   and name HB  ))
   (  segid " 1SG" and resid 38   and name HG2%)
      2.300     0.600     0.600 peak   623 spectrum    1 weight  0.10000E+01 volume  0.56124E-02 ppm1      1.893 ppm2      0.790 CV     1
 ASSI {  625}
   (( segid " 1SG" and resid 49   and name HG  ))
   (  segid " 1SG" and resid 49   and name HD2%)
      2.100     0.600     0.600 peak   625 spectrum    1 weight  0.10000E+01 volume  0.55708E-02 ppm1      0.805 ppm2      1.028 CV     1
 ASSI {  628}
   (  segid " 1SG" and resid 91   and name HG2%)
   (  segid " 1SG" and resid 39   and name HG2%)
      2.300     0.600     0.600 peak   628 spectrum    1 weight  0.10000E+01 volume  0.55182E-02 ppm1      0.172 ppm2     -0.446 CV     1
 OR {  628}
   (  segid " 1SG" and resid 91   and name HG1%)
   (  segid " 1SG" and resid 39   and name HG2%)
 ASSI {  629}
   (  segid " 1SG" and resid 106  and name HG2%)
   (  segid " 1SG" and resid 18   and name HG1%)
      2.300     0.700     0.700 peak   629 spectrum    1 weight  0.10000E+01 volume  0.54336E-02 ppm1      0.390 ppm2      0.968 CV     1
 OR {  629}
   (  segid " 1SG" and resid 106  and name HG2%)
   (  segid " 1SG" and resid 18   and name HG2%)
 ASSI {  638}
   (  segid " 1SG" and resid 74   and name HD1%)
   (  segid " 1SG" and resid 26   and name HB% )
      1.900     1.900     4.100 peak   638 spectrum    1 weight  0.10000E+01 volume  0.81990E-02 ppm1      0.410 ppm2      1.483 CV     1
 OR {  638}
   (  segid " 1SG" and resid 74   and name HD2%)
   (  segid " 1SG" and resid 26   and name HB% )
 ASSI {  647}
   (( segid " 1SG" and resid 15   and name HB1 ))
   (( segid " 1SG" and resid 15   and name HG1 ))
      2.300     0.700     0.700 peak   647 spectrum    1 weight  0.10000E+01 volume  0.52600E-02 ppm1      2.041 ppm2      2.277 CV     1
 OR {  647}
   (( segid " 1SG" and resid 15   and name HB2 ))
   (( segid " 1SG" and resid 15   and name HG2 ))
 OR {  647}
   (( segid " 1SG" and resid 15   and name HB2 ))
   (( segid " 1SG" and resid 15   and name HG1 ))
 OR {  647}
   (( segid " 1SG" and resid 15   and name HB1 ))
   (( segid " 1SG" and resid 15   and name HG2 ))
 ASSI {  649}
   (  segid " 1SG" and resid 105  and name HG2%)
   (( segid " 1SG" and resid 105  and name HA  ))
      2.300     0.700     0.700 peak   649 spectrum    1 weight  0.10000E+01 volume  0.52420E-02 ppm1      0.923 ppm2      4.518 CV     1
 ASSI {  650}
   (( segid " 1SG" and resid 4    and name HG12))
   (( segid " 1SG" and resid 96   and name HB2 ))
      2.800     2.800     3.200 peak   650 spectrum    1 weight  0.10000E+01 volume  0.52418E-02 ppm1      1.248 ppm2      1.588 CV     1
 ASSI {  651}
   (  segid " 1SG" and resid 8    and name HG1%)
   (( segid " 1SG" and resid 8    and name HA  ))
      2.400     0.700     0.700 peak   651 spectrum    1 weight  0.10000E+01 volume  0.52204E-02 ppm1      0.964 ppm2      4.174 CV     1
 OR {  651}
   (  segid " 1SG" and resid 8    and name HG2%)
   (( segid " 1SG" and resid 8    and name HA  ))
 ASSI {  653}
   (  segid " 1SG" and resid 57   and name HD1%)
   (  segid " 1SG" and resid 74   and name HD2%)
      2.300     0.700     0.700 peak   653 spectrum    1 weight  0.10000E+01 volume  0.52054E-02 ppm1      0.612 ppm2      0.416 CV     1
 OR {  653}
   (  segid " 1SG" and resid 57   and name HD2%)
   (  segid " 1SG" and resid 74   and name HD1%)
 OR {  653}
   (  segid " 1SG" and resid 57   and name HD2%)
   (  segid " 1SG" and resid 74   and name HD2%)
 ASSI {  655}
   (( segid " 1SG" and resid 92   and name HB1 ))
   (( segid " 1SG" and resid 92   and name HA  ))
      2.300     0.700     0.700 peak   655 spectrum    1 weight  0.10000E+01 volume  0.51923E-02 ppm1      3.943 ppm2      5.264 CV     1
 OR {  655}
   (( segid " 1SG" and resid 92   and name HB2 ))
   (( segid " 1SG" and resid 92   and name HA  ))
 ASSI {  656}
   (( segid " 1SG" and resid 38   and name HB  ))
   (  segid " 1SG" and resid 38   and name HG1%)
      2.300     0.700     0.700 peak   656 spectrum    1 weight  0.10000E+01 volume  0.51822E-02 ppm1      1.893 ppm2      0.842 CV     1
 ASSI {  667}
   (( segid " 1SG" and resid 94   and name HE1 ))
   (( segid " 1SG" and resid 94   and name HG1 ))
      2.400     0.700     0.700 peak   667 spectrum    1 weight  0.10000E+01 volume  0.50221E-02 ppm1      2.982 ppm2      1.410 CV     1
 OR {  667}
   (( segid " 1SG" and resid 94   and name HE2 ))
   (( segid " 1SG" and resid 94   and name HG1 ))
 OR {  667}
   (( segid " 1SG" and resid 94   and name HE2 ))
   (( segid " 1SG" and resid 94   and name HG2 ))
 OR {  667}
   (( segid " 1SG" and resid 94   and name HE1 ))
   (( segid " 1SG" and resid 94   and name HG2 ))
 ASSI {  669}
   (( segid " 1SG" and resid 18   and name HB  ))
   (  segid " 1SG" and resid 18   and name HG2%)
      2.300     0.700     0.700 peak   669 spectrum    1 weight  0.10000E+01 volume  0.50088E-02 ppm1      1.940 ppm2      0.968 CV     1
 OR {  669}
   (( segid " 1SG" and resid 18   and name HB  ))
   (  segid " 1SG" and resid 18   and name HG1%)
 ASSI {  676}
   (( segid " 1SG" and resid 32   and name HB2 ))
   (( segid " 1SG" and resid 33   and name HA  ))
      2.500     2.500     3.500 peak   676 spectrum    1 weight  0.10000E+01 volume  0.49550E-02 ppm1      3.910 ppm2      4.466 CV     1
 OR {  676}
   (( segid " 1SG" and resid 32   and name HB1 ))
   (( segid " 1SG" and resid 33   and name HA  ))
 ASSI {  677}
   (  segid " 1SG" and resid 104  and name HD1%)
   (  segid " 1SG" and resid 22   and name HD1%)
      2.500     0.800     0.800 peak   677 spectrum    1 weight  0.10000E+01 volume  0.49549E-02 ppm1      0.982 ppm2      0.547 CV     1
 ASSI {  679}
   (  segid " 1SG" and resid 47   and name HG1%)
   (( segid " 1SG" and resid 47   and name HA  ))
      2.300     0.700     0.700 peak   679 spectrum    1 weight  0.10000E+01 volume  0.49459E-02 ppm1      0.996 ppm2      4.076 CV     1
 ASSI {  681}
   (( segid " 1SG" and resid 68   and name HG1 ))
   (( segid " 1SG" and resid 68   and name HD1 ))
      2.300     0.600     0.600 peak   681 spectrum    1 weight  0.10000E+01 volume  0.49450E-02 ppm1      1.326 ppm2      1.682 CV     1
 OR {  681}
   (( segid " 1SG" and resid 68   and name HG2 ))
   (( segid " 1SG" and resid 68   and name HD1 ))
 OR {  681}
   (( segid " 1SG" and resid 68   and name HG1 ))
   (( segid " 1SG" and resid 68   and name HD2 ))
 OR {  681}
   (( segid " 1SG" and resid 68   and name HG2 ))
   (( segid " 1SG" and resid 68   and name HD2 ))
 ASSI {  684}
   (  segid " 1SG" and resid 53   and name HG2%)
   (( segid " 1SG" and resid 53   and name HA  ))
      2.000     0.500     0.500 peak   684 spectrum    1 weight  0.10000E+01 volume  0.81990E-02 ppm1      1.079 ppm2      4.054 CV     1
 OR {  684}
   (  segid " 1SG" and resid 53   and name HG1%)
   (( segid " 1SG" and resid 53   and name HA  ))
 ASSI {  685}
   (( segid " 1SG" and resid 44   and name HA1 ))
   (( segid " 1SG" and resid 44   and name HA2 ))
      2.000     0.500     0.500 peak   685 spectrum    1 weight  0.10000E+01 volume  0.49268E-02 ppm1      3.476 ppm2      3.825 CV     1
 ASSI {  689}
   (  segid " 1SG" and resid 57   and name HD2%)
   (( segid " 1SG" and resid 57   and name HG  ))
      2.200     0.600     0.600 peak   689 spectrum    1 weight  0.10000E+01 volume  0.49003E-02 ppm1      0.618 ppm2      0.749 CV     1
 OR {  689}
   (  segid " 1SG" and resid 57   and name HD1%)
   (( segid " 1SG" and resid 57   and name HG  ))
 ASSI {  690}
   (  segid " 1SG" and resid 53   and name HG1%)
   (  segid " 1SG" and resid 59   and name HD1%)
      2.500     0.800     0.800 peak   690 spectrum    1 weight  0.10000E+01 volume  0.81990E-02 ppm1      1.118 ppm2      0.869 CV     1
 ASSI {  691}
   (  segid " 1SG" and resid 53   and name HG1%)
   (  segid " 1SG" and resid 57   and name HD2%)
      2.500     0.800     0.800 peak   691 spectrum    1 weight  0.10000E+01 volume  0.81990E-02 ppm1      1.118 ppm2      0.614 CV     1
 OR {  691}
   (  segid " 1SG" and resid 53   and name HG1%)
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI {  692}
   (  segid " 1SG" and resid 53   and name HG1%)
   (  segid " 1SG" and resid 53   and name HG2%)
      2.100     0.600     0.600 peak   692 spectrum    1 weight  0.10000E+01 volume  0.81990E-02 ppm1      1.122 ppm2      1.070 CV     1
 ASSI {  695}
   (  segid " 1SG" and resid 53   and name HG2%)
   (  segid " 1SG" and resid 57   and name HD2%)
      2.300     0.700     0.700 peak   695 spectrum    1 weight  0.10000E+01 volume  0.48411E-02 ppm1      1.077 ppm2      0.618 CV     1
 OR {  695}
   (  segid " 1SG" and resid 53   and name HG2%)
   (  segid " 1SG" and resid 57   and name HD1%)
 OR {  695}
   (  segid " 1SG" and resid 53   and name HG1%)
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI {  698}
   (( segid " 1SG" and resid 68   and name HE2 ))
   (( segid " 1SG" and resid 68   and name HG2 ))
      2.400     0.700     0.700 peak   698 spectrum    1 weight  0.10000E+01 volume  0.48275E-02 ppm1      3.029 ppm2      1.285 CV     1
 OR {  698}
   (( segid " 1SG" and resid 68   and name HE1 ))
   (( segid " 1SG" and resid 68   and name HG2 ))
 OR {  698}
   (( segid " 1SG" and resid 68   and name HE2 ))
   (( segid " 1SG" and resid 68   and name HG1 ))
 OR {  698}
   (( segid " 1SG" and resid 68   and name HE1 ))
   (( segid " 1SG" and resid 68   and name HG1 ))
 ASSI {  699}
   (  segid " 1SG" and resid 53   and name HG1%)
   (( segid " 1SG" and resid 53   and name HA  ))
      2.100     0.600     0.600 peak   699 spectrum    1 weight  0.10000E+01 volume  0.81990E-02 ppm1      1.119 ppm2      4.050 CV     1
 ASSI {  711}
   (  segid " 1SG" and resid 59   and name HD2%)
   (  segid " 1SG" and resid 57   and name HD1%)
      2.800     2.800     3.200 peak   711 spectrum    1 weight  0.10000E+01 volume  0.47059E-02 ppm1      0.712 ppm2      0.620 CV     1
 OR {  711}
   (  segid " 1SG" and resid 59   and name HD2%)
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI {  712}
   (( segid " 1SG" and resid 27   and name HD2 ))
   (( segid " 1SG" and resid 27   and name HB2 ))
      2.300     0.700     0.700 peak   712 spectrum    1 weight  0.10000E+01 volume  0.47059E-02 ppm1      3.128 ppm2      1.583 CV     1
 OR {  712}
   (( segid " 1SG" and resid 27   and name HD2 ))
   (( segid " 1SG" and resid 27   and name HB1 ))
 OR {  712}
   (( segid " 1SG" and resid 27   and name HD1 ))
   (( segid " 1SG" and resid 27   and name HB1 ))
 OR {  712}
   (( segid " 1SG" and resid 27   and name HD1 ))
   (( segid " 1SG" and resid 27   and name HB2 ))
 ASSI {  725}
   (  segid " 1SG" and resid 71   and name HD1%)
   (( segid " 1SG" and resid 71   and name HB2 ))
      2.100     0.600     0.600 peak   725 spectrum    1 weight  0.10000E+01 volume  0.82145E-02 ppm1      0.856 ppm2      1.270 CV     1
 ASSI {  731}
   (  segid " 1SG" and resid 91   and name HG1%)
   (( segid " 1SG" and resid 91   and name HB  ))
      2.300     0.700     0.700 peak   731 spectrum    1 weight  0.10000E+01 volume  0.46117E-02 ppm1      0.175 ppm2      1.130 CV     1
 OR {  731}
   (  segid " 1SG" and resid 91   and name HG2%)
   (( segid " 1SG" and resid 91   and name HB  ))
 ASSI {  739}
   (( segid " 1SG" and resid 14   and name HA2 ))
   (( segid " 1SG" and resid 14   and name HA1 ))
      2.100     0.500     0.500 peak   739 spectrum    1 weight  0.10000E+01 volume  0.45738E-02 ppm1      4.937 ppm2      3.749 CV     1
 ASSI {  742}
   (( segid " 1SG" and resid 4    and name HG12))
   (  segid " 1SG" and resid 4    and name HD1%)
      2.300     0.700     0.700 peak   742 spectrum    1 weight  0.10000E+01 volume  0.45596E-02 ppm1      1.241 ppm2      0.966 CV     1
 ASSI {  745}
   (( segid " 1SG" and resid 43   and name HE2 ))
   (( segid " 1SG" and resid 43   and name HG2 ))
      2.100     0.500     0.500 peak   745 spectrum    1 weight  0.10000E+01 volume  0.82248E-02 ppm1      2.518 ppm2      0.081 CV     1
 ASSI {  751}
   (  segid " 1SG" and resid 93   and name HG2%)
   (  segid " 1SG" and resid 6    and name HD1%)
      2.400     0.700     0.700 peak   751 spectrum    1 weight  0.10000E+01 volume  0.45110E-02 ppm1      1.039 ppm2      0.675 CV     1
 ASSI {  760}
   (( segid " 1SG" and resid 68   and name HD1 ))
   (( segid " 1SG" and resid 68   and name HE1 ))
      2.400     0.700     0.700 peak   760 spectrum    1 weight  0.10000E+01 volume  0.44462E-02 ppm1      1.678 ppm2      3.029 CV     1
 OR {  760}
   (( segid " 1SG" and resid 68   and name HD2 ))
   (( segid " 1SG" and resid 68   and name HE2 ))
 OR {  760}
   (( segid " 1SG" and resid 68   and name HD2 ))
   (( segid " 1SG" and resid 68   and name HE1 ))
 OR {  760}
   (( segid " 1SG" and resid 68   and name HD1 ))
   (( segid " 1SG" and resid 68   and name HE2 ))
 ASSI {  761}
   (  segid " 1SG" and resid 6    and name HD1%)
   (( segid " 1SG" and resid 6    and name HA  ))
      2.400     0.700     0.700 peak   761 spectrum    1 weight  0.10000E+01 volume  0.44295E-02 ppm1      0.673 ppm2      4.461 CV     1
 ASSI {  765}
   (  segid " 1SG" and resid 79   and name HB% )
   (  segid " 1SG" and resid 106  and name HG1%)
      2.700     0.900     0.900 peak   765 spectrum    1 weight  0.10000E+01 volume  0.44072E-02 ppm1      1.194 ppm2      0.689 CV     1
 ASSI {  773}
   (( segid " 1SG" and resid 93   and name HB  ))
   (( segid " 1SG" and resid 93   and name HA  ))
      2.400     0.700     0.700 peak   773 spectrum    1 weight  0.10000E+01 volume  0.43549E-02 ppm1      4.558 ppm2      4.791 CV     1
 ASSI {  775}
   (  segid " 1SG" and resid 77   and name HG2%)
   (( segid " 1SG" and resid 77   and name HA  ))
      2.300     0.700     0.700 peak   775 spectrum    1 weight  0.10000E+01 volume  0.43486E-02 ppm1      1.047 ppm2      4.663 CV     1
 ASSI {  776}
   (( segid " 1SG" and resid 108  and name HG2 ))
   (( segid " 1SG" and resid 108  and name HB2 ))
      2.400     0.700     0.700 peak   776 spectrum    1 weight  0.10000E+01 volume  0.43428E-02 ppm1      2.213 ppm2      1.913 CV     1
 OR {  776}
   (( segid " 1SG" and resid 108  and name HG1 ))
   (( segid " 1SG" and resid 108  and name HB2 ))
 ASSI {  777}
   (( segid " 1SG" and resid 65   and name HD1 ))
   (( segid " 1SG" and resid 65   and name HB1 ))
      2.500     0.800     0.800 peak   777 spectrum    1 weight  0.10000E+01 volume  0.43410E-02 ppm1      3.235 ppm2      1.762 CV     1
 OR {  777}
   (( segid " 1SG" and resid 65   and name HD2 ))
   (( segid " 1SG" and resid 65   and name HB1 ))
 OR {  777}
   (( segid " 1SG" and resid 65   and name HD2 ))
   (( segid " 1SG" and resid 65   and name HB2 ))
 OR {  777}
   (( segid " 1SG" and resid 65   and name HD1 ))
   (( segid " 1SG" and resid 65   and name HB2 ))
 ASSI {  778}
   (  segid " 1SG" and resid 39   and name HG2%)
   (  segid " 1SG" and resid 91   and name HG2%)
      2.300     0.700     0.700 peak   778 spectrum    1 weight  0.10000E+01 volume  0.43373E-02 ppm1     -0.446 ppm2      0.165 CV     1
 ASSI {  785}
   (( segid " 1SG" and resid 16   and name HA  ))
   (  segid " 1SG" and resid 16   and name HG1%)
      2.500     0.800     0.800 peak   785 spectrum    1 weight  0.10000E+01 volume  0.43161E-02 ppm1      4.604 ppm2      0.981 CV     1
 ASSI {  787}
   (( segid " 1SG" and resid 61   and name HB2 ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      2.700     2.700     3.300 peak   787 spectrum    1 weight  0.10000E+01 volume  0.43039E-02 ppm1      2.304 ppm2      2.785 CV     1
 ASSI {  794}
   (( segid " 1SG" and resid 38   and name HA  ))
   (  segid " 1SG" and resid 38   and name HG1%)
      2.400     0.700     0.700 peak   794 spectrum    1 weight  0.10000E+01 volume  0.42620E-02 ppm1      3.904 ppm2      0.841 CV     1
 ASSI {  795}
   (( segid " 1SG" and resid 30   and name HA1 ))
   (( segid " 1SG" and resid 30   and name HA2 ))
      2.100     0.500     0.500 peak   795 spectrum    1 weight  0.10000E+01 volume  0.42617E-02 ppm1      3.952 ppm2      4.673 CV     1
 ASSI {  798}
   (( segid " 1SG" and resid 35   and name HE1 ))
   (  segid " 1SG" and resid 38   and name HG2%)
      2.400     0.700     0.700 peak   798 spectrum    1 weight  0.10000E+01 volume  0.42562E-02 ppm1      2.906 ppm2      0.791 CV     1
 OR {  798}
   (( segid " 1SG" and resid 35   and name HE2 ))
   (  segid " 1SG" and resid 38   and name HG2%)
 ASSI {  801}
   (  segid " 1SG" and resid 28   and name HG2%)
   (  segid " 1SG" and resid 91   and name HG2%)
      2.600     0.800     0.800 peak   801 spectrum    1 weight  0.10000E+01 volume  0.42388E-02 ppm1      0.651 ppm2      0.165 CV     1
 ASSI {  802}
   (( segid " 1SG" and resid 79   and name HA  ))
   (  segid " 1SG" and resid 79   and name HB% )
      2.300     0.700     0.700 peak   802 spectrum    1 weight  0.10000E+01 volume  0.42342E-02 ppm1      3.689 ppm2      1.194 CV     1
 ASSI {  804}
   (  segid " 1SG" and resid 91   and name HG1%)
   (  segid " 1SG" and resid 6    and name HD2%)
      2.400     0.700     0.700 peak   804 spectrum    1 weight  0.10000E+01 volume  0.42301E-02 ppm1      0.186 ppm2      0.489 CV     1
 OR {  804}
   (  segid " 1SG" and resid 91   and name HG2%)
   (  segid " 1SG" and resid 6    and name HD2%)
 ASSI {  808}
   (( segid " 1SG" and resid 57   and name HG  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      2.100     0.600     0.600 peak   808 spectrum    1 weight  0.10000E+01 volume  0.42037E-02 ppm1      0.750 ppm2      1.460 CV     1
 ASSI {  813}
   (( segid " 1SG" and resid 45   and name HB2 ))
   (  segid " 1SG" and resid 47   and name HG1%)
      2.700     2.700     3.300 peak   813 spectrum    1 weight  0.10000E+01 volume  0.41928E-02 ppm1      0.614 ppm2      0.987 CV     1
 ASSI {  814}
   (( segid " 1SG" and resid 34   and name HA  ))
   (( segid " 1SG" and resid 34   and name HB1 ))
      2.400     0.700     0.700 peak   814 spectrum    1 weight  0.10000E+01 volume  0.41848E-02 ppm1      4.298 ppm2      1.673 CV     1
 OR {  814}
   (( segid " 1SG" and resid 34   and name HA  ))
   (( segid " 1SG" and resid 34   and name HB2 ))
 ASSI {  816}
   (  segid " 1SG" and resid 16   and name HG2%)
   (  segid " 1SG" and resid 79   and name HB% )
      2.400     0.700     0.700 peak   816 spectrum    1 weight  0.10000E+01 volume  0.41742E-02 ppm1      0.628 ppm2      1.196 CV     1
 ASSI {  818}
   (( segid " 1SG" and resid 12   and name HG1 ))
   (( segid " 1SG" and resid 12   and name HB2 ))
      2.400     0.700     0.700 peak   818 spectrum    1 weight  0.10000E+01 volume  0.41670E-02 ppm1      2.482 ppm2      1.977 CV     1
 OR {  818}
   (( segid " 1SG" and resid 12   and name HG2 ))
   (( segid " 1SG" and resid 12   and name HB2 ))
 ASSI {  826}
   (  segid " 1SG" and resid 26   and name HB% )
   (( segid " 1SG" and resid 26   and name HA  ))
      2.300     0.700     0.700 peak   826 spectrum    1 weight  0.10000E+01 volume  0.41160E-02 ppm1      1.469 ppm2      4.924 CV     1
 ASSI {  828}
   (( segid " 1SG" and resid 80   and name HG2 ))
   (( segid " 1SG" and resid 80   and name HB2 ))
      2.400     0.700     0.700 peak   828 spectrum    1 weight  0.10000E+01 volume  0.40854E-02 ppm1      2.181 ppm2      1.949 CV     1
 OR {  828}
   (( segid " 1SG" and resid 80   and name HG1 ))
   (( segid " 1SG" and resid 80   and name HB1 ))
 OR {  828}
   (( segid " 1SG" and resid 80   and name HG2 ))
   (( segid " 1SG" and resid 80   and name HB1 ))
 OR {  828}
   (( segid " 1SG" and resid 80   and name HG1 ))
   (( segid " 1SG" and resid 80   and name HB2 ))
 ASSI {  833}
   (  segid " 1SG" and resid 47   and name HG2%)
   (( segid " 1SG" and resid 47   and name HB  ))
      2.300     0.700     0.700 peak   833 spectrum    1 weight  0.10000E+01 volume  0.39908E-02 ppm1      0.794 ppm2      2.534 CV     1
 ASSI {  836}
   (  segid " 1SG" and resid 4    and name HG2%)
   (( segid " 1SG" and resid 4    and name HB  ))
      2.200     0.600     0.600 peak   836 spectrum    1 weight  0.10000E+01 volume  0.39546E-02 ppm1      0.914 ppm2      2.051 CV     1
 ASSI {  837}
   (  segid " 1SG" and resid 33   and name HD1%)
   (  segid " 1SG" and resid 93   and name HG2%)
      2.400     0.700     0.700 peak   837 spectrum    1 weight  0.10000E+01 volume  0.39535E-02 ppm1      0.872 ppm2      1.036 CV     1
 OR {  837}
   (  segid " 1SG" and resid 33   and name HD2%)
   (  segid " 1SG" and resid 93   and name HG2%)
 ASSI {  845}
   (  segid " 1SG" and resid 23   and name HG2%)
   (( segid " 1SG" and resid 23   and name HA  ))
      2.400     0.700     0.700 peak   845 spectrum    1 weight  0.10000E+01 volume  0.39172E-02 ppm1      0.784 ppm2      5.116 CV     1
 ASSI {  852}
   (( segid " 1SG" and resid 45   and name HD2 ))
   (( segid " 1SG" and resid 45   and name HG2 ))
      2.500     0.800     0.800 peak   852 spectrum    1 weight  0.10000E+01 volume  0.38889E-02 ppm1      1.241 ppm2      0.603 CV     1
 OR {  852}
   (( segid " 1SG" and resid 45   and name HD1 ))
   (( segid " 1SG" and resid 45   and name HG2 ))
 OR {  852}
   (( segid " 1SG" and resid 45   and name HD2 ))
   (( segid " 1SG" and resid 45   and name HB2 ))
 OR {  852}
   (( segid " 1SG" and resid 45   and name HD1 ))
   (( segid " 1SG" and resid 45   and name HB2 ))
 ASSI {  854}
   (  segid " 1SG" and resid 39   and name HG2%)
   (( segid " 1SG" and resid 39   and name HB  ))
      2.400     0.700     0.700 peak   854 spectrum    1 weight  0.10000E+01 volume  0.38670E-02 ppm1     -0.446 ppm2      0.589 CV     1
 ASSI {  857}
   (  segid " 1SG" and resid 47   and name HG1%)
   (( segid " 1SG" and resid 47   and name HB  ))
      2.400     0.700     0.700 peak   857 spectrum    1 weight  0.10000E+01 volume  0.38297E-02 ppm1      0.995 ppm2      2.528 CV     1
 ASSI {  859}
   (  segid " 1SG" and resid 104  and name HD2%)
   (  segid " 1SG" and resid 16   and name HG2%)
      2.500     0.800     0.800 peak   859 spectrum    1 weight  0.10000E+01 volume  0.38119E-02 ppm1      0.837 ppm2      0.615 CV     1
 ASSI {  862}
   (  segid " 1SG" and resid 16   and name HG2%)
   (  segid " 1SG" and resid 106  and name HG2%)
      2.500     0.800     0.800 peak   862 spectrum    1 weight  0.10000E+01 volume  0.38034E-02 ppm1      0.633 ppm2      0.390 CV     1
 ASSI {  866}
   (( segid " 1SG" and resid 55   and name HG2 ))
   (( segid " 1SG" and resid 55   and name HA  ))
      2.500     0.800     0.800 peak   866 spectrum    1 weight  0.10000E+01 volume  0.37796E-02 ppm1      1.990 ppm2      4.001 CV     1
 OR {  866}
   (( segid " 1SG" and resid 55   and name HG1 ))
   (( segid " 1SG" and resid 55   and name HA  ))
 ASSI {  867}
   (  segid " 1SG" and resid 59   and name HD2%)
   (( segid " 1SG" and resid 59   and name HA  ))
      2.400     0.700     0.700 peak   867 spectrum    1 weight  0.10000E+01 volume  0.37670E-02 ppm1      0.713 ppm2      5.190 CV     1
 ASSI {  873}
   (( segid " 1SG" and resid 91   and name HB  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      2.400     0.700     0.700 peak   873 spectrum    1 weight  0.10000E+01 volume  0.37416E-02 ppm1      1.132 ppm2      0.172 CV     1
 ASSI {  882}
   (( segid " 1SG" and resid 38   and name HA  ))
   (  segid " 1SG" and resid 38   and name HG2%)
      2.600     0.800     0.800 peak   882 spectrum    1 weight  0.10000E+01 volume  0.36896E-02 ppm1      3.900 ppm2      0.791 CV     1
 ASSI {  885}
   (( segid " 1SG" and resid 62   and name HB2 ))
   (( segid " 1SG" and resid 62   and name HA  ))
      2.700     0.900     0.900 peak   885 spectrum    1 weight  0.10000E+01 volume  0.36773E-02 ppm1      3.814 ppm2      4.609 CV     1
 ASSI {  887}
   (  segid " 1SG" and resid 93   and name HG2%)
   (( segid " 1SG" and resid 93   and name HA  ))
      2.400     0.700     0.700 peak   887 spectrum    1 weight  0.10000E+01 volume  0.36753E-02 ppm1      1.040 ppm2      4.794 CV     1
 ASSI {  894}
   (( segid " 1SG" and resid 52   and name HD2 ))
   (  segid " 1SG" and resid 47   and name HG1%)
      2.400     2.400     3.600 peak   894 spectrum    1 weight  0.10000E+01 volume  0.36430E-02 ppm1      1.585 ppm2      0.965 CV     1
 OR {  894}
   (( segid " 1SG" and resid 52   and name HD1 ))
   (  segid " 1SG" and resid 47   and name HG1%)
 ASSI {  895}
   (( segid " 1SG" and resid 49   and name HG  ))
   (( segid " 1SG" and resid 49   and name HB2 ))
      2.400     0.700     0.700 peak   895 spectrum    1 weight  0.10000E+01 volume  0.36392E-02 ppm1      0.800 ppm2      1.561 CV     1
 ASSI {  896}
   (  segid " 1SG" and resid 106  and name HG2%)
   (( segid " 1SG" and resid 106  and name HB  ))
      2.300     0.700     0.700 peak   896 spectrum    1 weight  0.10000E+01 volume  0.36376E-02 ppm1      0.392 ppm2      1.861 CV     1
 ASSI {  897}
   (  segid " 1SG" and resid 4    and name HD1%)
   (( segid " 1SG" and resid 96   and name HB2 ))
      2.300     0.700     0.700 peak   897 spectrum    1 weight  0.10000E+01 volume  0.36335E-02 ppm1      0.965 ppm2      1.581 CV     1
 ASSI {  902}
   (( segid " 1SG" and resid 96   and name HB2 ))
   (( segid " 1SG" and resid 94   and name HD1 ))
      2.600     0.800     0.800 peak   902 spectrum    1 weight  0.10000E+01 volume  0.36144E-02 ppm1      1.580 ppm2      1.690 CV     1
 OR {  902}
   (( segid " 1SG" and resid 96   and name HB2 ))
   (( segid " 1SG" and resid 94   and name HD2 ))
 ASSI {  908}
   (  segid " 1SG" and resid 106  and name HG1%)
   (( segid " 1SG" and resid 106  and name HB  ))
      2.300     0.700     0.700 peak   908 spectrum    1 weight  0.10000E+01 volume  0.35645E-02 ppm1      0.695 ppm2      1.859 CV     1
 ASSI {  910}
   (( segid " 1SG" and resid 96   and name HB2 ))
   (( segid " 1SG" and resid 96   and name HG2 ))
      2.200     0.600     0.600 peak   910 spectrum    1 weight  0.10000E+01 volume  0.35356E-02 ppm1      1.587 ppm2      1.335 CV     1
 OR {  910}
   (( segid " 1SG" and resid 96   and name HB2 ))
   (( segid " 1SG" and resid 96   and name HG1 ))
 ASSI {  913}
   (  segid " 1SG" and resid 59   and name HD1%)
   (( segid " 1SG" and resid 59   and name HG  ))
      2.300     0.700     0.700 peak   913 spectrum    1 weight  0.10000E+01 volume  0.35149E-02 ppm1      0.866 ppm2      1.440 CV     1
 ASSI {  931}
   (( segid " 1SG" and resid 65   and name HB2 ))
   (( segid " 1SG" and resid 65   and name HA  ))
      2.500     0.800     0.800 peak   931 spectrum    1 weight  0.10000E+01 volume  0.34393E-02 ppm1      1.768 ppm2      3.458 CV     1
 OR {  931}
   (( segid " 1SG" and resid 65   and name HB1 ))
   (( segid " 1SG" and resid 65   and name HA  ))
 ASSI {  932}
   (  segid " 1SG" and resid 71   and name HD1%)
   (( segid " 1SG" and resid 71   and name HA  ))
      2.300     0.700     0.700 peak   932 spectrum    1 weight  0.10000E+01 volume  0.34392E-02 ppm1      0.861 ppm2      5.068 CV     1
 ASSI {  934}
   (  segid " 1SG" and resid 39   and name HG1%)
   (( segid " 1SG" and resid 39   and name HB  ))
      2.400     0.700     0.700 peak   934 spectrum    1 weight  0.10000E+01 volume  0.34332E-02 ppm1     -0.065 ppm2      0.591 CV     1
 ASSI {  935}
   (( segid " 1SG" and resid 49   and name HG  ))
   (( segid " 1SG" and resid 49   and name HA  ))
      2.300     0.700     0.700 peak   935 spectrum    1 weight  0.10000E+01 volume  0.34301E-02 ppm1      0.803 ppm2      3.862 CV     1
 ASSI {  937}
   (( segid " 1SG" and resid 86   and name HA1 ))
   (( segid " 1SG" and resid 86   and name HA2 ))
      2.100     0.600     0.600 peak   937 spectrum    1 weight  0.10000E+01 volume  0.34000E-02 ppm1      3.487 ppm2      4.665 CV     1
 ASSI {  944}
   (( segid " 1SG" and resid 51   and name HA  ))
   (( segid " 1SG" and resid 51   and name HB2 ))
      2.600     0.800     0.800 peak   944 spectrum    1 weight  0.10000E+01 volume  0.33540E-02 ppm1      4.566 ppm2      4.025 CV     1
 ASSI {  947}
   (( segid " 1SG" and resid 16   and name HB  ))
   (  segid " 1SG" and resid 16   and name HG1%)
      2.500     0.800     0.800 peak   947 spectrum    1 weight  0.10000E+01 volume  0.33339E-02 ppm1      1.819 ppm2      0.980 CV     1
 ASSI {  949}
   (( segid " 1SG" and resid 16   and name HB  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      2.400     0.700     0.700 peak   949 spectrum    1 weight  0.10000E+01 volume  0.33272E-02 ppm1      1.824 ppm2      0.622 CV     1
 ASSI {  952}
   (( segid " 1SG" and resid 95   and name HA  ))
   (( segid " 1SG" and resid 95   and name HB2 ))
      2.500     0.800     0.800 peak   952 spectrum    1 weight  0.10000E+01 volume  0.33236E-02 ppm1      4.737 ppm2      2.633 CV     1
 ASSI {  953}
   (( segid " 1SG" and resid 77   and name HB  ))
   (( segid " 1SG" and resid 77   and name HA  ))
      2.300     0.700     0.700 peak   953 spectrum    1 weight  0.10000E+01 volume  0.33210E-02 ppm1      4.029 ppm2      4.666 CV     1
 ASSI {  955}
   (( segid " 1SG" and resid 53   and name HA  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      2.300     0.700     0.700 peak   955 spectrum    1 weight  0.10000E+01 volume  0.33160E-02 ppm1      4.054 ppm2      1.080 CV     1
 ASSI {  963}
   (  segid " 1SG" and resid 74   and name HD1%)
   (  segid " 1SG" and resid 49   and name HD2%)
      2.400     0.700     0.700 peak   963 spectrum    1 weight  0.10000E+01 volume  0.32732E-02 ppm1      0.410 ppm2      1.032 CV     1
 OR {  963}
   (  segid " 1SG" and resid 74   and name HD2%)
   (  segid " 1SG" and resid 49   and name HD2%)
 ASSI {  965}
   (( segid " 1SG" and resid 3    and name HD2 ))
   (( segid " 1SG" and resid 4    and name HB  ))
      2.700     2.700     3.300 peak   965 spectrum    1 weight  0.10000E+01 volume  0.32684E-02 ppm1      3.857 ppm2      2.022 CV     1
 OR {  965}
   (( segid " 1SG" and resid 3    and name HD1 ))
   (( segid " 1SG" and resid 4    and name HB  ))
 ASSI {  966}
   (( segid " 1SG" and resid 61   and name HA  ))
   (( segid " 1SG" and resid 72   and name HA  ))
      2.300     0.700     0.700 peak   966 spectrum    1 weight  0.10000E+01 volume  0.32627E-02 ppm1      5.559 ppm2      5.379 CV     1
 ASSI {  969}
   (  segid " 1SG" and resid 47   and name HG2%)
   (( segid " 1SG" and resid 47   and name HA  ))
      2.600     0.800     0.800 peak   969 spectrum    1 weight  0.10000E+01 volume  0.32499E-02 ppm1      0.793 ppm2      4.074 CV     1
 ASSI {  972}
   (  segid " 1SG" and resid 106  and name HG1%)
   (( segid " 1SG" and resid 106  and name HA  ))
      2.800     1.000     1.000 peak   972 spectrum    1 weight  0.10000E+01 volume  0.32281E-02 ppm1      0.694 ppm2      4.732 CV     1
 ASSI {  978}
   (  segid " 1SG" and resid 104  and name HD1%)
   (( segid " 1SG" and resid 104  and name HA  ))
      2.700     0.900     0.900 peak   978 spectrum    1 weight  0.10000E+01 volume  0.32118E-02 ppm1      0.981 ppm2      5.437 CV     1
 ASSI {  984}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 104  and name HB2 ))
      2.700     0.900     0.900 peak   984 spectrum    1 weight  0.10000E+01 volume  0.31755E-02 ppm1      0.549 ppm2      1.243 CV     1
 OR {  984}
   (  segid " 1SG" and resid 22   and name HD1%)
   (( segid " 1SG" and resid 104  and name HB2 ))
 ASSI {  986}
   (  segid " 1SG" and resid 74   and name HD2%)
   (( segid " 1SG" and resid 74   and name HG  ))
      2.400     0.700     0.700 peak   986 spectrum    1 weight  0.10000E+01 volume  0.31658E-02 ppm1      0.409 ppm2      1.098 CV     1
 OR {  986}
   (  segid " 1SG" and resid 74   and name HD1%)
   (( segid " 1SG" and resid 74   and name HG  ))
 ASSI {  989}
   (  segid " 1SG" and resid 71   and name HD2%)
   (( segid " 1SG" and resid 69   and name HB  ))
      2.200     2.200     3.800 peak   989 spectrum    1 weight  0.10000E+01 volume  0.31621E-02 ppm1      0.748 ppm2      1.766 CV     1
 ASSI {  990}
   (  segid " 1SG" and resid 18   and name HG2%)
   (( segid " 1SG" and resid 108  and name HA  ))
      2.500     0.800     0.800 peak   990 spectrum    1 weight  0.10000E+01 volume  0.31616E-02 ppm1      0.965 ppm2      4.151 CV     1
 ASSI {  991}
   (( segid " 1SG" and resid 55   and name HB2 ))
   (( segid " 1SG" and resid 55   and name HA  ))
      2.500     0.800     0.800 peak   991 spectrum    1 weight  0.10000E+01 volume  0.31584E-02 ppm1      1.787 ppm2      4.002 CV     1
 ASSI {  992}
   (( segid " 1SG" and resid 106  and name HA  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      2.500     0.800     0.800 peak   992 spectrum    1 weight  0.10000E+01 volume  0.31563E-02 ppm1      4.730 ppm2      0.388 CV     1
 ASSI {  993}
   (  segid " 1SG" and resid 4    and name HG2%)
   (( segid " 1SG" and resid 96   and name HB2 ))
      2.500     0.800     0.800 peak   993 spectrum    1 weight  0.10000E+01 volume  0.31481E-02 ppm1      0.918 ppm2      1.588 CV     1
 ASSI { 1004}
   (( segid " 1SG" and resid 33   and name HA  ))
   (( segid " 1SG" and resid 33   and name HB2 ))
      2.500     0.800     0.800 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.30933E-02 ppm1      4.459 ppm2      1.732 CV     1
 ASSI { 1006}
   (( segid " 1SG" and resid 57   and name HA  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      2.200     0.600     0.600 peak  1006 spectrum    1 weight  0.10000E+01 volume  0.30885E-02 ppm1      5.429 ppm2      1.472 CV     1
 ASSI { 1008}
   (( segid " 1SG" and resid 77   and name HA  ))
   (( segid " 1SG" and resid 21   and name HA  ))
      2.100     0.600     0.600 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.30845E-02 ppm1      4.665 ppm2      5.519 CV     1
 ASSI { 1009}
   (( segid " 1SG" and resid 84   and name HA  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      2.500     0.800     0.800 peak  1009 spectrum    1 weight  0.10000E+01 volume  0.30808E-02 ppm1      4.230 ppm2      1.496 CV     1
 ASSI { 1011}
   (  segid " 1SG" and resid 59   and name HD1%)
   (  segid " 1SG" and resid 53   and name HG2%)
      2.500     0.800     0.800 peak  1011 spectrum    1 weight  0.10000E+01 volume  0.30752E-02 ppm1      0.870 ppm2      1.085 CV     1
 ASSI { 1019}
   (( segid " 1SG" and resid 35   and name HA  ))
   (( segid " 1SG" and resid 36   and name HD2 ))
      2.500     0.800     0.800 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.30450E-02 ppm1      4.673 ppm2      3.509 CV     1
 ASSI { 1021}
   (  segid " 1SG" and resid 22   and name HD1%)
   (( segid " 1SG" and resid 22   and name HG12))
      2.400     0.700     0.700 peak  1021 spectrum    1 weight  0.10000E+01 volume  0.30391E-02 ppm1      0.548 ppm2      0.108 CV     1
 OR { 1021}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 22   and name HG12))
 ASSI { 1023}
   (( segid " 1SG" and resid 108  and name HA  ))
   (  segid " 1SG" and resid 18   and name HG1%)
      2.500     0.800     0.800 peak  1023 spectrum    1 weight  0.10000E+01 volume  0.30342E-02 ppm1      4.150 ppm2      0.966 CV     1
 OR { 1023}
   (( segid " 1SG" and resid 108  and name HA  ))
   (  segid " 1SG" and resid 18   and name HG2%)
 ASSI { 1037}
   (  segid " 1SG" and resid 91   and name HG2%)
   (( segid " 1SG" and resid 91   and name HA  ))
      2.500     0.800     0.800 peak  1037 spectrum    1 weight  0.10000E+01 volume  0.29836E-02 ppm1      0.180 ppm2      4.756 CV     1
 OR { 1037}
   (  segid " 1SG" and resid 91   and name HG1%)
   (( segid " 1SG" and resid 91   and name HA  ))
 ASSI { 1038}
   (( segid " 1SG" and resid 53   and name HB  ))
   (( segid " 1SG" and resid 52   and name HB2 ))
      2.200     2.200     3.800 peak  1038 spectrum    1 weight  0.10000E+01 volume  0.29833E-02 ppm1      2.169 ppm2      1.731 CV     1
 ASSI { 1047}
   (( segid " 1SG" and resid 16   and name HB  ))
   (( segid " 1SG" and resid 16   and name HA  ))
      2.500     0.800     0.800 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.29470E-02 ppm1      1.820 ppm2      4.604 CV     1
 ASSI { 1051}
   (( segid " 1SG" and resid 43   and name HD1 ))
   (  segid " 1SG" and resid 59   and name HD1%)
      3.000     3.000     3.000 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.29361E-02 ppm1      1.331 ppm2      0.856 CV     1
 OR { 1051}
   (( segid " 1SG" and resid 43   and name HD2 ))
   (  segid " 1SG" and resid 59   and name HD1%)
 ASSI { 1052}
   (  segid " 1SG" and resid 76   and name HD1%)
   (( segid " 1SG" and resid 76   and name HG12))
      2.300     0.700     0.700 peak  1052 spectrum    1 weight  0.10000E+01 volume  0.29329E-02 ppm1      0.681 ppm2      1.096 CV     1
 ASSI { 1055}
   (( segid " 1SG" and resid 71   and name HB2 ))
   (( segid " 1SG" and resid 69   and name HB  ))
      2.400     2.400     3.600 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.29244E-02 ppm1      1.264 ppm2      1.770 CV     1
 ASSI { 1057}
   (  segid " 1SG" and resid 79   and name HB% )
   (  segid " 1SG" and resid 106  and name HG2%)
      2.600     0.800     0.800 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.29209E-02 ppm1      1.196 ppm2      0.392 CV     1
 ASSI { 1077}
   (  segid " 1SG" and resid 69   and name HG1%)
   (( segid " 1SG" and resid 29   and name HA  ))
      2.500     0.800     0.800 peak  1077 spectrum    1 weight  0.10000E+01 volume  0.28350E-02 ppm1      0.863 ppm2      4.391 CV     1
 OR { 1077}
   (  segid " 1SG" and resid 69   and name HG2%)
   (( segid " 1SG" and resid 29   and name HA  ))
 ASSI { 1078}
   (( segid " 1SG" and resid 76   and name HB  ))
   (  segid " 1SG" and resid 76   and name HG2%)
      2.400     0.700     0.700 peak  1078 spectrum    1 weight  0.10000E+01 volume  0.28166E-02 ppm1      1.936 ppm2      0.826 CV     1
 ASSI { 1080}
   (( segid " 1SG" and resid 58   and name HB1 ))
   (( segid " 1SG" and resid 58   and name HG2 ))
      2.500     0.800     0.800 peak  1080 spectrum    1 weight  0.10000E+01 volume  0.28107E-02 ppm1      2.406 ppm2      1.814 CV     1
 OR { 1080}
   (( segid " 1SG" and resid 58   and name HB2 ))
   (( segid " 1SG" and resid 58   and name HG2 ))
 ASSI { 1082}
   (( segid " 1SG" and resid 57   and name HG  ))
   (  segid " 1SG" and resid 74   and name HD2%)
      2.800     1.000     1.000 peak  1082 spectrum    1 weight  0.10000E+01 volume  0.28053E-02 ppm1      0.751 ppm2      0.415 CV     1
 OR { 1082}
   (( segid " 1SG" and resid 57   and name HG  ))
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI { 1083}
   (( segid " 1SG" and resid 22   and name HG12))
   (( segid " 1SG" and resid 104  and name HB2 ))
      2.300     0.600     0.600 peak  1083 spectrum    1 weight  0.10000E+01 volume  0.28045E-02 ppm1      0.106 ppm2      1.251 CV     1
 ASSI { 1088}
   (  segid " 1SG" and resid 39   and name HG2%)
   (( segid " 1SG" and resid 39   and name HA  ))
      2.500     0.800     0.800 peak  1088 spectrum    1 weight  0.10000E+01 volume  0.28010E-02 ppm1     -0.447 ppm2      4.803 CV     1
 ASSI { 1092}
   (( segid " 1SG" and resid 18   and name HA  ))
   (  segid " 1SG" and resid 18   and name HG1%)
      2.500     0.800     0.800 peak  1092 spectrum    1 weight  0.10000E+01 volume  0.27783E-02 ppm1      3.510 ppm2      0.968 CV     1
 OR { 1092}
   (( segid " 1SG" and resid 18   and name HA  ))
   (  segid " 1SG" and resid 18   and name HG2%)
 ASSI { 1095}
   (( segid " 1SG" and resid 9    and name HG2 ))
   (( segid " 1SG" and resid 9    and name HB2 ))
      2.700     0.900     0.900 peak  1095 spectrum    1 weight  0.10000E+01 volume  0.27701E-02 ppm1      2.524 ppm2      1.911 CV     1
 ASSI { 1097}
   (( segid " 1SG" and resid 18   and name HA  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      2.500     0.800     0.800 peak  1097 spectrum    1 weight  0.10000E+01 volume  0.27614E-02 ppm1      3.516 ppm2      0.390 CV     1
 ASSI { 1102}
   (( segid " 1SG" and resid 27   and name HD1 ))
   (( segid " 1SG" and resid 27   and name HG2 ))
      2.500     0.800     0.800 peak  1102 spectrum    1 weight  0.10000E+01 volume  0.27335E-02 ppm1      3.131 ppm2      1.704 CV     1
 OR { 1102}
   (( segid " 1SG" and resid 27   and name HD2 ))
   (( segid " 1SG" and resid 27   and name HG1 ))
 OR { 1102}
   (( segid " 1SG" and resid 27   and name HD2 ))
   (( segid " 1SG" and resid 27   and name HG2 ))
 OR { 1102}
   (( segid " 1SG" and resid 27   and name HD1 ))
   (( segid " 1SG" and resid 27   and name HG1 ))
 ASSI { 1105}
   (  segid " 1SG" and resid 28   and name HG2%)
   (( segid " 1SG" and resid 28   and name HA  ))
      2.600     0.800     0.800 peak  1105 spectrum    1 weight  0.10000E+01 volume  0.27130E-02 ppm1      0.652 ppm2      4.910 CV     1
 ASSI { 1109}
   (( segid " 1SG" and resid 3    and name HB1 ))
   (( segid " 1SG" and resid 3    and name HA  ))
      2.600     0.800     0.800 peak  1109 spectrum    1 weight  0.10000E+01 volume  0.27051E-02 ppm1      2.293 ppm2      4.452 CV     1
 OR { 1109}
   (( segid " 1SG" and resid 3    and name HB2 ))
   (( segid " 1SG" and resid 3    and name HA  ))
 ASSI { 1115}
   (( segid " 1SG" and resid 52   and name HD1 ))
   (( segid " 1SG" and resid 52   and name HA  ))
      2.800     1.000     1.000 peak  1115 spectrum    1 weight  0.10000E+01 volume  0.26990E-02 ppm1      1.579 ppm2      4.625 CV     1
 OR { 1115}
   (( segid " 1SG" and resid 52   and name HD2 ))
   (( segid " 1SG" and resid 52   and name HA  ))
 ASSI { 1117}
   (  segid " 1SG" and resid 91   and name HG2%)
   (  segid " 1SG" and resid 28   and name HG1%)
      2.600     0.800     0.800 peak  1117 spectrum    1 weight  0.10000E+01 volume  0.26821E-02 ppm1      0.175 ppm2      0.822 CV     1
 OR { 1117}
   (  segid " 1SG" and resid 91   and name HG1%)
   (  segid " 1SG" and resid 28   and name HG1%)
 ASSI { 1118}
   (( segid " 1SG" and resid 43   and name HD1 ))
   (  segid " 1SG" and resid 47   and name HG1%)
      2.800     1.000     1.000 peak  1118 spectrum    1 weight  0.10000E+01 volume  0.26818E-02 ppm1      1.324 ppm2      0.983 CV     1
 OR { 1118}
   (( segid " 1SG" and resid 43   and name HD2 ))
   (  segid " 1SG" and resid 47   and name HG1%)
 ASSI { 1127}
   (( segid " 1SG" and resid 107  and name HA  ))
   (( segid " 1SG" and resid 107  and name HB2 ))
      2.600     0.800     0.800 peak  1127 spectrum    1 weight  0.10000E+01 volume  0.26522E-02 ppm1      4.805 ppm2      3.085 CV     1
 OR { 1127}
   (( segid " 1SG" and resid 107  and name HA  ))
   (( segid " 1SG" and resid 107  and name HB1 ))
 ASSI { 1129}
   (( segid " 1SG" and resid 96   and name HA  ))
   (( segid " 1SG" and resid 96   and name HG1 ))
      2.500     0.800     0.800 peak  1129 spectrum    1 weight  0.10000E+01 volume  0.26458E-02 ppm1      4.790 ppm2      1.336 CV     1
 OR { 1129}
   (( segid " 1SG" and resid 96   and name HA  ))
   (( segid " 1SG" and resid 96   and name HG2 ))
 ASSI { 1135}
   (  segid " 1SG" and resid 59   and name HD2%)
   (( segid " 1SG" and resid 74   and name HA  ))
      3.000     1.100     1.100 peak  1135 spectrum    1 weight  0.10000E+01 volume  0.26331E-02 ppm1      0.717 ppm2      4.346 CV     1
 ASSI { 1151}
   (( segid " 1SG" and resid 18   and name HA  ))
   (  segid " 1SG" and resid 18   and name HG1%)
      2.600     0.800     0.800 peak  1151 spectrum    1 weight  0.10000E+01 volume  0.25937E-02 ppm1      3.513 ppm2      1.007 CV     1
 ASSI { 1152}
   (  segid " 1SG" and resid 69   and name HG1%)
   (( segid " 1SG" and resid 27   and name HD2 ))
      2.600     0.900     0.900 peak  1152 spectrum    1 weight  0.10000E+01 volume  0.25935E-02 ppm1      0.852 ppm2      3.126 CV     1
 OR { 1152}
   (  segid " 1SG" and resid 69   and name HG1%)
   (( segid " 1SG" and resid 27   and name HD1 ))
 ASSI { 1154}
   (( segid " 1SG" and resid 15   and name HA  ))
   (( segid " 1SG" and resid 15   and name HB1 ))
      2.600     0.800     0.800 peak  1154 spectrum    1 weight  0.10000E+01 volume  0.25925E-02 ppm1      5.494 ppm2      2.015 CV     1
 OR { 1154}
   (( segid " 1SG" and resid 15   and name HA  ))
   (( segid " 1SG" and resid 15   and name HB2 ))
 ASSI { 1156}
   (  segid " 1SG" and resid 59   and name HD2%)
   (( segid " 1SG" and resid 59   and name HB2 ))
      2.700     0.900     0.900 peak  1156 spectrum    1 weight  0.10000E+01 volume  0.25870E-02 ppm1      0.714 ppm2      1.697 CV     1
 OR { 1156}
   (  segid " 1SG" and resid 59   and name HD2%)
   (( segid " 1SG" and resid 59   and name HB1 ))
 ASSI { 1161}
   (( segid " 1SG" and resid 59   and name HB2 ))
   (  segid " 1SG" and resid 59   and name HD1%)
      2.500     0.800     0.800 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.25641E-02 ppm1      1.712 ppm2      0.868 CV     1
 OR { 1161}
   (( segid " 1SG" and resid 59   and name HB1 ))
   (  segid " 1SG" and resid 59   and name HD1%)
 ASSI { 1176}
   (  segid " 1SG" and resid 4    and name HG2%)
   (  segid " 1SG" and resid 6    and name HD2%)
      2.800     1.000     1.000 peak  1176 spectrum    1 weight  0.10000E+01 volume  0.25116E-02 ppm1      0.914 ppm2      0.491 CV     1
 ASSI { 1183}
   (( segid " 1SG" and resid 45   and name HA  ))
   (( segid " 1SG" and resid 45   and name HB2 ))
      2.700     0.900     0.900 peak  1183 spectrum    1 weight  0.10000E+01 volume  0.24942E-02 ppm1      3.497 ppm2      0.609 CV     1
 OR { 1183}
   (( segid " 1SG" and resid 45   and name HA  ))
   (( segid " 1SG" and resid 45   and name HG2 ))
 ASSI { 1189}
   (( segid " 1SG" and resid 94   and name HA  ))
   (( segid " 1SG" and resid 94   and name HB2 ))
      2.500     0.800     0.800 peak  1189 spectrum    1 weight  0.10000E+01 volume  0.24849E-02 ppm1      4.042 ppm2      1.799 CV     1
 ASSI { 1190}
   (( segid " 1SG" and resid 2    and name HB2 ))
   (( segid " 1SG" and resid 1    and name HA  ))
      2.900     2.900     3.100 peak  1190 spectrum    1 weight  0.10000E+01 volume  0.24838E-02 ppm1      2.684 ppm2      4.619 CV     1
 ASSI { 1191}
   (  segid " 1SG" and resid 76   and name HD1%)
   (( segid " 1SG" and resid 59   and name HG  ))
      2.300     2.300     3.700 peak  1191 spectrum    1 weight  0.10000E+01 volume  0.24810E-02 ppm1      0.677 ppm2      1.411 CV     1
 ASSI { 1193}
   (( segid " 1SG" and resid 43   and name HE2 ))
   (( segid " 1SG" and resid 43   and name HD1 ))
      2.600     0.800     0.800 peak  1193 spectrum    1 weight  0.10000E+01 volume  0.24772E-02 ppm1      2.518 ppm2      1.326 CV     1
 OR { 1193}
   (( segid " 1SG" and resid 43   and name HE2 ))
   (( segid " 1SG" and resid 43   and name HD2 ))
 ASSI { 1202}
   (( segid " 1SG" and resid 2    and name HB2 ))
   (( segid " 1SG" and resid 96   and name HE2 ))
      3.000     3.000     3.000 peak  1202 spectrum    1 weight  0.10000E+01 volume  0.24226E-02 ppm1      2.692 ppm2      2.944 CV     1
 OR { 1202}
   (( segid " 1SG" and resid 2    and name HB2 ))
   (( segid " 1SG" and resid 96   and name HE1 ))
 ASSI { 1203}
   (( segid " 1SG" and resid 81   and name HA  ))
   (( segid " 1SG" and resid 106  and name HB  ))
      3.100     1.200     1.200 peak  1203 spectrum    1 weight  0.10000E+01 volume  0.24219E-02 ppm1      4.003 ppm2      1.861 CV     1
 ASSI { 1205}
   (  segid " 1SG" and resid 28   and name HG2%)
   (( segid " 1SG" and resid 28   and name HB  ))
      2.600     0.800     0.800 peak  1205 spectrum    1 weight  0.10000E+01 volume  0.24169E-02 ppm1      0.652 ppm2      1.978 CV     1
 ASSI { 1215}
   (( segid " 1SG" and resid 25   and name HB2 ))
   (  segid " 1SG" and resid 71   and name HD1%)
      2.600     0.900     0.900 peak  1215 spectrum    1 weight  0.10000E+01 volume  0.23799E-02 ppm1      3.603 ppm2      0.862 CV     1
 ASSI { 1219}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 22   and name HB  ))
      2.500     0.800     0.800 peak  1219 spectrum    1 weight  0.10000E+01 volume  0.23706E-02 ppm1      0.612 ppm2      1.535 CV     1
 ASSI { 1220}
   (  segid " 1SG" and resid 28   and name HG1%)
   (( segid " 1SG" and resid 28   and name HB  ))
      2.600     0.800     0.800 peak  1220 spectrum    1 weight  0.10000E+01 volume  0.23629E-02 ppm1      0.816 ppm2      1.976 CV     1
 ASSI { 1223}
   (( segid " 1SG" and resid 53   and name HB  ))
   (( segid " 1SG" and resid 53   and name HA  ))
      2.600     0.900     0.900 peak  1223 spectrum    1 weight  0.10000E+01 volume  0.23529E-02 ppm1      2.132 ppm2      4.051 CV     1
 ASSI { 1236}
   (( segid " 1SG" and resid 59   and name HA  ))
   (( segid " 1SG" and resid 59   and name HB1 ))
      2.500     0.800     0.800 peak  1236 spectrum    1 weight  0.10000E+01 volume  0.23227E-02 ppm1      5.198 ppm2      1.702 CV     1
 OR { 1236}
   (( segid " 1SG" and resid 59   and name HA  ))
   (( segid " 1SG" and resid 59   and name HB2 ))
 ASSI { 1239}
   (( segid " 1SG" and resid 64   and name HA  ))
   (( segid " 1SG" and resid 64   and name HB2 ))
      2.600     0.900     0.900 peak  1239 spectrum    1 weight  0.10000E+01 volume  0.23185E-02 ppm1      4.580 ppm2      2.354 CV     1
 ASSI { 1242}
   (( segid " 1SG" and resid 43   and name HD2 ))
   (( segid " 1SG" and resid 57   and name HG  ))
      2.500     0.800     0.800 peak  1242 spectrum    1 weight  0.10000E+01 volume  0.23128E-02 ppm1      1.333 ppm2      0.743 CV     1
 OR { 1242}
   (( segid " 1SG" and resid 43   and name HD1 ))
   (( segid " 1SG" and resid 57   and name HG  ))
 ASSI { 1243}
   (( segid " 1SG" and resid 22   and name HG12))
   (  segid " 1SG" and resid 22   and name HD1%)
      2.600     0.800     0.800 peak  1243 spectrum    1 weight  0.10000E+01 volume  0.23092E-02 ppm1      0.102 ppm2      0.551 CV     1
 ASSI { 1244}
   (( segid " 1SG" and resid 52   and name HE2 ))
   (( segid " 1SG" and resid 52   and name HD1 ))
      2.600     0.900     0.900 peak  1244 spectrum    1 weight  0.10000E+01 volume  0.23065E-02 ppm1      2.788 ppm2      1.574 CV     1
 OR { 1244}
   (( segid " 1SG" and resid 52   and name HE2 ))
   (( segid " 1SG" and resid 52   and name HD2 ))
 ASSI { 1246}
   (  segid " 1SG" and resid 104  and name HD1%)
   (( segid " 1SG" and resid 104  and name HB2 ))
      2.500     0.800     0.800 peak  1246 spectrum    1 weight  0.10000E+01 volume  0.23029E-02 ppm1      0.976 ppm2      1.219 CV     1
 ASSI { 1251}
   (( segid " 1SG" and resid 80   and name HA  ))
   (( segid " 1SG" and resid 81   and name HD2 ))
      2.600     0.900     0.900 peak  1251 spectrum    1 weight  0.10000E+01 volume  0.22896E-02 ppm1      4.639 ppm2      3.592 CV     1
 ASSI { 1254}
   (( segid " 1SG" and resid 57   and name HA  ))
   (( segid " 1SG" and resid 76   and name HA  ))
      2.400     0.700     0.700 peak  1254 spectrum    1 weight  0.10000E+01 volume  0.22837E-02 ppm1      5.425 ppm2      5.012 CV     1
 ASSI { 1259}
   (( segid " 1SG" and resid 22   and name HA  ))
   (( segid " 1SG" and resid 22   and name HB  ))
      2.500     0.800     0.800 peak  1259 spectrum    1 weight  0.10000E+01 volume  0.22764E-02 ppm1      4.352 ppm2      1.534 CV     1
 ASSI { 1267}
   (( segid " 1SG" and resid 59   and name HG  ))
   (( segid " 1SG" and resid 57   and name HG  ))
      3.100     3.100     2.900 peak  1267 spectrum    1 weight  0.10000E+01 volume  0.22537E-02 ppm1      1.460 ppm2      0.749 CV     1
 ASSI { 1272}
   (( segid " 1SG" and resid 58   and name HA  ))
   (( segid " 1SG" and resid 58   and name HB1 ))
      2.600     0.800     0.800 peak  1272 spectrum    1 weight  0.10000E+01 volume  0.22411E-02 ppm1      4.626 ppm2      2.405 CV     1
 OR { 1272}
   (( segid " 1SG" and resid 58   and name HA  ))
   (( segid " 1SG" and resid 58   and name HB2 ))
 ASSI { 1274}
   (( segid " 1SG" and resid 65   and name HA  ))
   (( segid " 1SG" and resid 65   and name HG2 ))
      2.800     1.000     1.000 peak  1274 spectrum    1 weight  0.10000E+01 volume  0.22318E-02 ppm1      3.458 ppm2      1.692 CV     1
 OR { 1274}
   (( segid " 1SG" and resid 65   and name HA  ))
   (( segid " 1SG" and resid 65   and name HG1 ))
 ASSI { 1282}
   (( segid " 1SG" and resid 78   and name HA  ))
   (( segid " 1SG" and resid 78   and name HB2 ))
      2.700     0.900     0.900 peak  1282 spectrum    1 weight  0.10000E+01 volume  0.22177E-02 ppm1      4.117 ppm2      2.383 CV     1
 ASSI { 1285}
   (  segid " 1SG" and resid 8    and name HG2%)
   (( segid " 1SG" and resid 29   and name HA  ))
      2.800     1.000     1.000 peak  1285 spectrum    1 weight  0.10000E+01 volume  0.22132E-02 ppm1      0.964 ppm2      4.391 CV     1
 OR { 1285}
   (  segid " 1SG" and resid 8    and name HG1%)
   (( segid " 1SG" and resid 29   and name HA  ))
 ASSI { 1286}
   (  segid " 1SG" and resid 8    and name HG2%)
   (  segid " 1SG" and resid 6    and name HD2%)
      3.000     3.000     3.000 peak  1286 spectrum    1 weight  0.10000E+01 volume  0.22126E-02 ppm1      0.928 ppm2      0.476 CV     1
 OR { 1286}
   (  segid " 1SG" and resid 8    and name HG1%)
   (  segid " 1SG" and resid 6    and name HD2%)
 ASSI { 1288}
   (( segid " 1SG" and resid 96   and name HA  ))
   (( segid " 1SG" and resid 94   and name HE1 ))
      2.600     2.600     3.400 peak  1288 spectrum    1 weight  0.10000E+01 volume  0.21982E-02 ppm1      4.809 ppm2      3.001 CV     1
 OR { 1288}
   (( segid " 1SG" and resid 96   and name HA  ))
   (( segid " 1SG" and resid 94   and name HE2 ))
 ASSI { 1295}
   (  segid " 1SG" and resid 76   and name HG2%)
   (  segid " 1SG" and resid 79   and name HB% )
      2.800     0.900     0.900 peak  1295 spectrum    1 weight  0.10000E+01 volume  0.21872E-02 ppm1      0.828 ppm2      1.193 CV     1
 ASSI { 1297}
   (( segid " 1SG" and resid 52   and name HE2 ))
   (( segid " 1SG" and resid 52   and name HG2 ))
      2.700     0.900     0.900 peak  1297 spectrum    1 weight  0.10000E+01 volume  0.21841E-02 ppm1      2.788 ppm2      1.344 CV     1
 OR { 1297}
   (( segid " 1SG" and resid 52   and name HE2 ))
   (( segid " 1SG" and resid 52   and name HG1 ))
 ASSI { 1298}
   (( segid " 1SG" and resid 49   and name HG  ))
   (( segid " 1SG" and resid 43   and name HB2 ))
      2.500     0.800     0.800 peak  1298 spectrum    1 weight  0.10000E+01 volume  0.21820E-02 ppm1      0.801 ppm2      1.228 CV     1
 ASSI { 1302}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 22   and name HG12))
      2.500     0.800     0.800 peak  1302 spectrum    1 weight  0.10000E+01 volume  0.21743E-02 ppm1      0.611 ppm2      0.097 CV     1
 ASSI { 1303}
   (( segid " 1SG" and resid 94   and name HG1 ))
   (( segid " 1SG" and resid 94   and name HA  ))
      2.900     1.000     1.000 peak  1303 spectrum    1 weight  0.10000E+01 volume  0.21740E-02 ppm1      1.416 ppm2      4.044 CV     1
 OR { 1303}
   (( segid " 1SG" and resid 94   and name HG2 ))
   (( segid " 1SG" and resid 94   and name HA  ))
 ASSI { 1309}
   (( segid " 1SG" and resid 96   and name HA  ))
   (( segid " 1SG" and resid 96   and name HB2 ))
      2.700     0.900     0.900 peak  1309 spectrum    1 weight  0.10000E+01 volume  0.21676E-02 ppm1      4.786 ppm2      1.579 CV     1
 ASSI { 1319}
   (  segid " 1SG" and resid 76   and name HG2%)
   (( segid " 1SG" and resid 76   and name HA  ))
      2.600     0.800     0.800 peak  1319 spectrum    1 weight  0.10000E+01 volume  0.21478E-02 ppm1      0.823 ppm2      5.012 CV     1
 ASSI { 1323}
   (( segid " 1SG" and resid 9    and name HG2 ))
   (( segid " 1SG" and resid 9    and name HA  ))
      2.800     1.000     1.000 peak  1323 spectrum    1 weight  0.10000E+01 volume  0.21406E-02 ppm1      2.535 ppm2      4.651 CV     1
 ASSI { 1327}
   (( segid " 1SG" and resid 68   and name HE1 ))
   (( segid " 1SG" and resid 37   and name HD2 ))
      2.500     2.500     3.500 peak  1327 spectrum    1 weight  0.10000E+01 volume  0.21311E-02 ppm1      3.032 ppm2      2.376 CV     1
 OR { 1327}
   (( segid " 1SG" and resid 68   and name HE2 ))
   (( segid " 1SG" and resid 37   and name HD2 ))
 ASSI { 1333}
   (( segid " 1SG" and resid 3    and name HA  ))
   (( segid " 1SG" and resid 4    and name HB  ))
      3.300     1.400     1.400 peak  1333 spectrum    1 weight  0.10000E+01 volume  0.21148E-02 ppm1      4.450 ppm2      2.008 CV     1
 ASSI { 1335}
   (( segid " 1SG" and resid 27   and name HA  ))
   (( segid " 1SG" and resid 27   and name HB2 ))
      2.500     0.800     0.800 peak  1335 spectrum    1 weight  0.10000E+01 volume  0.21061E-02 ppm1      5.836 ppm2      1.599 CV     1
 OR { 1335}
   (( segid " 1SG" and resid 27   and name HA  ))
   (( segid " 1SG" and resid 27   and name HB1 ))
 ASSI { 1338}
   (( segid " 1SG" and resid 19   and name HA2 ))
   (( segid " 1SG" and resid 78   and name HA  ))
      2.700     0.900     0.900 peak  1338 spectrum    1 weight  0.10000E+01 volume  0.21003E-02 ppm1      4.274 ppm2      4.121 CV     1
 OR { 1338}
   (( segid " 1SG" and resid 19   and name HA1 ))
   (( segid " 1SG" and resid 78   and name HA  ))
 ASSI { 1343}
   (( segid " 1SG" and resid 35   and name HB1 ))
   (( segid " 1SG" and resid 35   and name HA  ))
      2.600     0.800     0.800 peak  1343 spectrum    1 weight  0.10000E+01 volume  0.20941E-02 ppm1      1.791 ppm2      4.667 CV     1
 OR { 1343}
   (( segid " 1SG" and resid 35   and name HB2 ))
   (( segid " 1SG" and resid 35   and name HA  ))
 ASSI { 1346}
   (  segid " 1SG" and resid 69   and name HG2%)
   (( segid " 1SG" and resid 67   and name HB2 ))
      2.800     1.000     1.000 peak  1346 spectrum    1 weight  0.10000E+01 volume  0.20886E-02 ppm1      0.868 ppm2      3.737 CV     1
 OR { 1346}
   (  segid " 1SG" and resid 69   and name HG2%)
   (( segid " 1SG" and resid 67   and name HB1 ))
 ASSI { 1351}
   (( segid " 1SG" and resid 59   and name HB1 ))
   (( segid " 1SG" and resid 59   and name HG  ))
      2.500     0.800     0.800 peak  1351 spectrum    1 weight  0.10000E+01 volume  0.20776E-02 ppm1      1.699 ppm2      1.439 CV     1
 OR { 1351}
   (( segid " 1SG" and resid 59   and name HB2 ))
   (( segid " 1SG" and resid 59   and name HG  ))
 ASSI { 1353}
   (  segid " 1SG" and resid 104  and name HD2%)
   (( segid " 1SG" and resid 104  and name HB2 ))
      3.000     1.100     1.100 peak  1353 spectrum    1 weight  0.10000E+01 volume  0.20764E-02 ppm1      0.836 ppm2      1.210 CV     1
 ASSI { 1356}
   (  segid " 1SG" and resid 91   and name HG2%)
   (  segid " 1SG" and resid 39   and name HG1%)
      2.900     1.100     1.100 peak  1356 spectrum    1 weight  0.10000E+01 volume  0.20625E-02 ppm1      0.170 ppm2     -0.067 CV     1
 OR { 1356}
   (  segid " 1SG" and resid 91   and name HG1%)
   (  segid " 1SG" and resid 39   and name HG1%)
 ASSI { 1365}
   (( segid " 1SG" and resid 34   and name HG  ))
   (( segid " 1SG" and resid 35   and name HG1 ))
      2.700     0.900     0.900 peak  1365 spectrum    1 weight  0.10000E+01 volume  0.20491E-02 ppm1      0.938 ppm2      1.372 CV     1
 OR { 1365}
   (( segid " 1SG" and resid 34   and name HG  ))
   (( segid " 1SG" and resid 35   and name HG2 ))
 ASSI { 1367}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 22   and name HB  ))
      2.600     0.800     0.800 peak  1367 spectrum    1 weight  0.10000E+01 volume  0.20448E-02 ppm1      0.558 ppm2      1.537 CV     1
 OR { 1367}
   (  segid " 1SG" and resid 22   and name HD1%)
   (( segid " 1SG" and resid 22   and name HB  ))
 ASSI { 1368}
   (  segid " 1SG" and resid 106  and name HG2%)
   (( segid " 1SG" and resid 81   and name HA  ))
      2.600     0.800     0.800 peak  1368 spectrum    1 weight  0.10000E+01 volume  0.20442E-02 ppm1      0.389 ppm2      4.015 CV     1
 ASSI { 1375}
   (  segid " 1SG" and resid 4    and name HG2%)
   (  segid " 1SG" and resid 6    and name HD1%)
      2.600     0.900     0.900 peak  1375 spectrum    1 weight  0.10000E+01 volume  0.20226E-02 ppm1      0.911 ppm2      0.677 CV     1
 ASSI { 1378}
   (( segid " 1SG" and resid 68   and name HG2 ))
   (( segid " 1SG" and resid 68   and name HA  ))
      2.900     1.000     1.000 peak  1378 spectrum    1 weight  0.10000E+01 volume  0.20210E-02 ppm1      1.279 ppm2      3.604 CV     1
 OR { 1378}
   (( segid " 1SG" and resid 68   and name HG1 ))
   (( segid " 1SG" and resid 68   and name HA  ))
 ASSI { 1382}
   (  segid " 1SG" and resid 49   and name HD2%)
   (  segid " 1SG" and resid 49   and name HD1%)
      2.600     0.800     0.800 peak  1382 spectrum    1 weight  0.10000E+01 volume  0.20149E-02 ppm1      1.033 ppm2      1.768 CV     1
 ASSI { 1390}
   (( segid " 1SG" and resid 45   and name HE2 ))
   (( segid " 1SG" and resid 45   and name HD1 ))
      2.700     0.900     0.900 peak  1390 spectrum    1 weight  0.10000E+01 volume  0.19993E-02 ppm1      2.582 ppm2      1.239 CV     1
 OR { 1390}
   (( segid " 1SG" and resid 45   and name HE2 ))
   (( segid " 1SG" and resid 45   and name HD2 ))
 ASSI { 1393}
   (  segid " 1SG" and resid 6    and name HD1%)
   (  segid " 1SG" and resid 91   and name HG2%)
      3.000     1.100     1.100 peak  1393 spectrum    1 weight  0.10000E+01 volume  0.19911E-02 ppm1      0.673 ppm2      0.183 CV     1
 OR { 1393}
   (  segid " 1SG" and resid 6    and name HD1%)
   (  segid " 1SG" and resid 91   and name HG1%)
 ASSI { 1397}
   (( segid " 1SG" and resid 22   and name HB  ))
   (  segid " 1SG" and resid 22   and name HD1%)
      2.700     0.900     0.900 peak  1397 spectrum    1 weight  0.10000E+01 volume  0.19833E-02 ppm1      1.541 ppm2      0.551 CV     1
 ASSI { 1399}
   (( segid " 1SG" and resid 31   and name HA  ))
   (( segid " 1SG" and resid 68   and name HD1 ))
      2.700     0.900     0.900 peak  1399 spectrum    1 weight  0.10000E+01 volume  0.19794E-02 ppm1      4.175 ppm2      1.683 CV     1
 OR { 1399}
   (( segid " 1SG" and resid 31   and name HA  ))
   (( segid " 1SG" and resid 68   and name HD2 ))
 ASSI { 1400}
   (( segid " 1SG" and resid 91   and name HA  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      2.700     0.900     0.900 peak  1400 spectrum    1 weight  0.10000E+01 volume  0.19773E-02 ppm1      4.748 ppm2      0.161 CV     1
 ASSI { 1402}
   (( segid " 1SG" and resid 68   and name HG1 ))
   (( segid " 1SG" and resid 68   and name HB2 ))
      2.600     0.900     0.900 peak  1402 spectrum    1 weight  0.10000E+01 volume  0.19734E-02 ppm1      1.273 ppm2      1.772 CV     1
 OR { 1402}
   (( segid " 1SG" and resid 68   and name HG2 ))
   (( segid " 1SG" and resid 68   and name HB2 ))
 ASSI { 1404}
   (( segid " 1SG" and resid 37   and name HA  ))
   (( segid " 1SG" and resid 37   and name HB2 ))
      2.900     1.000     1.000 peak  1404 spectrum    1 weight  0.10000E+01 volume  0.19702E-02 ppm1      4.505 ppm2      1.382 CV     1
 OR { 1404}
   (( segid " 1SG" and resid 37   and name HA  ))
   (( segid " 1SG" and resid 37   and name HG2 ))
 ASSI { 1406}
   (  segid " 1SG" and resid 53   and name HG1%)
   (( segid " 1SG" and resid 58   and name HA  ))
      2.700     0.900     0.900 peak  1406 spectrum    1 weight  0.10000E+01 volume  0.19655E-02 ppm1      1.121 ppm2      4.624 CV     1
 ASSI { 1408}
   (( segid " 1SG" and resid 28   and name HA  ))
   (  segid " 1SG" and resid 28   and name HG1%)
      2.700     0.900     0.900 peak  1408 spectrum    1 weight  0.10000E+01 volume  0.19609E-02 ppm1      4.915 ppm2      0.817 CV     1
 ASSI { 1412}
   (  segid " 1SG" and resid 74   and name HD1%)
   (( segid " 1SG" and resid 59   and name HG  ))
      2.600     0.800     0.800 peak  1412 spectrum    1 weight  0.10000E+01 volume  0.19533E-02 ppm1      0.409 ppm2      1.447 CV     1
 OR { 1412}
   (  segid " 1SG" and resid 74   and name HD2%)
   (( segid " 1SG" and resid 59   and name HG  ))
 ASSI { 1420}
   (( segid " 1SG" and resid 75   and name HA  ))
   (( segid " 1SG" and resid 75   and name HB1 ))
      2.700     0.900     0.900 peak  1420 spectrum    1 weight  0.10000E+01 volume  0.19341E-02 ppm1      5.087 ppm2      2.897 CV     1
 OR { 1420}
   (( segid " 1SG" and resid 75   and name HA  ))
   (( segid " 1SG" and resid 75   and name HB2 ))
 ASSI { 1421}
   (( segid " 1SG" and resid 45   and name HD1 ))
   (  segid " 1SG" and resid 104  and name HD2%)
      2.900     2.900     3.100 peak  1421 spectrum    1 weight  0.10000E+01 volume  0.19327E-02 ppm1      1.234 ppm2      0.834 CV     1
 OR { 1421}
   (( segid " 1SG" and resid 45   and name HD2 ))
   (  segid " 1SG" and resid 104  and name HD2%)
 ASSI { 1426}
   (( segid " 1SG" and resid 2    and name HA  ))
   (( segid " 1SG" and resid 2    and name HB2 ))
      2.600     0.900     0.900 peak  1426 spectrum    1 weight  0.10000E+01 volume  0.19270E-02 ppm1      4.912 ppm2      2.661 CV     1
 ASSI { 1428}
   (( segid " 1SG" and resid 33   and name HG  ))
   (( segid " 1SG" and resid 37   and name HG2 ))
      3.500     3.500     2.500 peak  1428 spectrum    1 weight  0.10000E+01 volume  0.19261E-02 ppm1      0.929 ppm2      1.379 CV     1
 OR { 1428}
   (( segid " 1SG" and resid 33   and name HG  ))
   (( segid " 1SG" and resid 37   and name HB2 ))
 ASSI { 1433}
   (( segid " 1SG" and resid 105  and name HB  ))
   (( segid " 1SG" and resid 15   and name HA  ))
      2.600     0.900     0.900 peak  1433 spectrum    1 weight  0.10000E+01 volume  0.19220E-02 ppm1      3.901 ppm2      5.501 CV     1
 ASSI { 1435}
   (( segid " 1SG" and resid 12   and name HA  ))
   (( segid " 1SG" and resid 12   and name HG2 ))
      3.000     1.100     1.100 peak  1435 spectrum    1 weight  0.10000E+01 volume  0.19203E-02 ppm1      4.685 ppm2      2.479 CV     1
 OR { 1435}
   (( segid " 1SG" and resid 12   and name HA  ))
   (( segid " 1SG" and resid 12   and name HG1 ))
 ASSI { 1437}
   (( segid " 1SG" and resid 61   and name HA  ))
   (( segid " 1SG" and resid 61   and name HB2 ))
      2.800     1.000     1.000 peak  1437 spectrum    1 weight  0.10000E+01 volume  0.19190E-02 ppm1      5.569 ppm2      2.306 CV     1
 ASSI { 1453}
   (( segid " 1SG" and resid 4    and name HA  ))
   (  segid " 1SG" and resid 4    and name HD1%)
      3.400     1.500     1.500 peak  1453 spectrum    1 weight  0.10000E+01 volume  0.18941E-02 ppm1      4.030 ppm2      0.969 CV     1
 ASSI { 1456}
   (( segid " 1SG" and resid 9    and name HA  ))
   (( segid " 1SG" and resid 27   and name HD1 ))
      3.100     3.100     2.900 peak  1456 spectrum    1 weight  0.10000E+01 volume  0.18870E-02 ppm1      4.631 ppm2      3.112 CV     1
 OR { 1456}
   (( segid " 1SG" and resid 9    and name HA  ))
   (( segid " 1SG" and resid 27   and name HD2 ))
 ASSI { 1457}
   (( segid " 1SG" and resid 57   and name HG  ))
   (  segid " 1SG" and resid 49   and name HD2%)
      2.700     0.900     0.900 peak  1457 spectrum    1 weight  0.10000E+01 volume  0.18869E-02 ppm1      0.752 ppm2      1.025 CV     1
 ASSI { 1461}
   (( segid " 1SG" and resid 12   and name HB2 ))
   (( segid " 1SG" and resid 12   and name HA  ))
      3.000     1.100     1.100 peak  1461 spectrum    1 weight  0.10000E+01 volume  0.18764E-02 ppm1      1.970 ppm2      4.684 CV     1
 ASSI { 1471}
   (  segid " 1SG" and resid 76   and name HG2%)
   (( segid " 1SG" and resid 76   and name HG12))
      2.600     0.900     0.900 peak  1471 spectrum    1 weight  0.10000E+01 volume  0.18660E-02 ppm1      0.820 ppm2      1.098 CV     1
 ASSI { 1479}
   (( segid " 1SG" and resid 53   and name HA  ))
   (  segid " 1SG" and resid 57   and name HD2%)
      2.600     0.800     0.800 peak  1479 spectrum    1 weight  0.10000E+01 volume  0.18524E-02 ppm1      4.059 ppm2      0.613 CV     1
 OR { 1479}
   (( segid " 1SG" and resid 53   and name HA  ))
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI { 1481}
   (( segid " 1SG" and resid 40   and name HA  ))
   (( segid " 1SG" and resid 40   and name HB2 ))
      2.700     0.900     0.900 peak  1481 spectrum    1 weight  0.10000E+01 volume  0.18518E-02 ppm1      4.549 ppm2      1.359 CV     1
 ASSI { 1483}
   (  segid " 1SG" and resid 59   and name HD1%)
   (  segid " 1SG" and resid 74   and name HD1%)
      3.200     1.300     1.300 peak  1483 spectrum    1 weight  0.10000E+01 volume  0.18498E-02 ppm1      0.863 ppm2      0.419 CV     1
 OR { 1483}
   (  segid " 1SG" and resid 59   and name HD1%)
   (  segid " 1SG" and resid 74   and name HD2%)
 ASSI { 1486}
   (( segid " 1SG" and resid 14   and name HA1 ))
   (  segid " 1SG" and resid 22   and name HD1%)
      2.600     0.800     0.800 peak  1486 spectrum    1 weight  0.10000E+01 volume  0.18461E-02 ppm1      3.757 ppm2      0.548 CV     1
 ASSI { 1493}
   (( segid " 1SG" and resid 21   and name HA  ))
   (( segid " 1SG" and resid 21   and name HB2 ))
      2.600     0.900     0.900 peak  1493 spectrum    1 weight  0.10000E+01 volume  0.18293E-02 ppm1      5.515 ppm2      3.764 CV     1
 ASSI { 1494}
   (( segid " 1SG" and resid 74   and name HB2 ))
   (  segid " 1SG" and resid 74   and name HD2%)
      2.900     1.000     1.000 peak  1494 spectrum    1 weight  0.10000E+01 volume  0.18289E-02 ppm1     -0.825 ppm2      0.419 CV     1
 OR { 1494}
   (( segid " 1SG" and resid 74   and name HB2 ))
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI { 1497}
   (( segid " 1SG" and resid 71   and name HB2 ))
   (  segid " 1SG" and resid 71   and name HD2%)
      2.700     0.900     0.900 peak  1497 spectrum    1 weight  0.10000E+01 volume  0.18257E-02 ppm1      1.272 ppm2      0.752 CV     1
 ASSI { 1504}
   (( segid " 1SG" and resid 105  and name HB  ))
   (( segid " 1SG" and resid 15   and name HG1 ))
      2.800     1.000     1.000 peak  1504 spectrum    1 weight  0.10000E+01 volume  0.18169E-02 ppm1      3.909 ppm2      2.266 CV     1
 OR { 1504}
   (( segid " 1SG" and resid 105  and name HB  ))
   (( segid " 1SG" and resid 15   and name HG2 ))
 ASSI { 1508}
   (( segid " 1SG" and resid 76   and name HB  ))
   (  segid " 1SG" and resid 76   and name HD1%)
      2.700     0.900     0.900 peak  1508 spectrum    1 weight  0.10000E+01 volume  0.18071E-02 ppm1      1.941 ppm2      0.670 CV     1
 ASSI { 1515}
   (( segid " 1SG" and resid 18   and name HA  ))
   (( segid " 1SG" and resid 18   and name HB  ))
      2.700     0.900     0.900 peak  1515 spectrum    1 weight  0.10000E+01 volume  0.17987E-02 ppm1      3.515 ppm2      1.933 CV     1
 ASSI { 1516}
   (( segid " 1SG" and resid 36   and name HB2 ))
   (( segid " 1SG" and resid 36   and name HG2 ))
      2.600     0.800     0.800 peak  1516 spectrum    1 weight  0.10000E+01 volume  0.17968E-02 ppm1      1.634 ppm2      1.985 CV     1
 ASSI { 1518}
   (( segid " 1SG" and resid 34   and name HA  ))
   (( segid " 1SG" and resid 94   and name HA  ))
      3.200     3.200     2.800 peak  1518 spectrum    1 weight  0.10000E+01 volume  0.17954E-02 ppm1      4.293 ppm2      4.063 CV     1
 ASSI { 1523}
   (( segid " 1SG" and resid 59   and name HG  ))
   (  segid " 1SG" and resid 57   and name HD1%)
      3.100     1.200     1.200 peak  1523 spectrum    1 weight  0.10000E+01 volume  0.17860E-02 ppm1      1.446 ppm2      0.612 CV     1
 OR { 1523}
   (( segid " 1SG" and resid 59   and name HG  ))
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI { 1527}
   (  segid " 1SG" and resid 6    and name HD1%)
   (  segid " 1SG" and resid 28   and name HG1%)
      2.900     1.000     1.000 peak  1527 spectrum    1 weight  0.10000E+01 volume  0.17785E-02 ppm1      0.670 ppm2      0.820 CV     1
 ASSI { 1529}
   (( segid " 1SG" and resid 25   and name HA  ))
   (( segid " 1SG" and resid 73   and name HA  ))
      2.500     0.800     0.800 peak  1529 spectrum    1 weight  0.10000E+01 volume  0.17773E-02 ppm1      5.692 ppm2      5.470 CV     1
 ASSI { 1539}
   (( segid " 1SG" and resid 106  and name HA  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      2.700     0.900     0.900 peak  1539 spectrum    1 weight  0.10000E+01 volume  0.17651E-02 ppm1      4.721 ppm2      0.624 CV     1
 ASSI { 1545}
   (( segid " 1SG" and resid 14   and name HA2 ))
   (  segid " 1SG" and resid 22   and name HD1%)
      3.500     1.600     1.600 peak  1545 spectrum    1 weight  0.10000E+01 volume  0.17467E-02 ppm1      4.934 ppm2      0.546 CV     1
 ASSI { 1547}
   (  segid " 1SG" and resid 18   and name HG2%)
   (( segid " 1SG" and resid 81   and name HD2 ))
      3.300     1.400     1.400 peak  1547 spectrum    1 weight  0.10000E+01 volume  0.17436E-02 ppm1      0.966 ppm2      3.590 CV     1
 ASSI { 1580}
   (( segid " 1SG" and resid 61   and name HB2 ))
   (( segid " 1SG" and resid 63   and name HB2 ))
      2.800     2.800     3.200 peak  1580 spectrum    1 weight  0.10000E+01 volume  0.16979E-02 ppm1      2.281 ppm2      2.543 CV     1
 ASSI { 1587}
   (  segid " 1SG" and resid 39   and name HG1%)
   (( segid " 1SG" and resid 39   and name HA  ))
      2.700     0.900     0.900 peak  1587 spectrum    1 weight  0.10000E+01 volume  0.16943E-02 ppm1     -0.057 ppm2      4.810 CV     1
 ASSI { 1589}
   (  segid " 1SG" and resid 6    and name HD2%)
   (  segid " 1SG" and resid 93   and name HG2%)
      3.000     1.100     1.100 peak  1589 spectrum    1 weight  0.10000E+01 volume  0.16938E-02 ppm1      0.491 ppm2      1.039 CV     1
 ASSI { 1598}
   (( segid " 1SG" and resid 53   and name HA  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      3.500     1.500     1.500 peak  1598 spectrum    1 weight  0.10000E+01 volume  0.16802E-02 ppm1      4.052 ppm2      1.467 CV     1
 ASSI { 1605}
   (( segid " 1SG" and resid 88   and name HB2 ))
   (( segid " 1SG" and resid 40   and name HD2 ))
      2.900     2.900     3.100 peak  1605 spectrum    1 weight  0.10000E+01 volume  0.16746E-02 ppm1      1.705 ppm2      1.711 CV     1
 OR { 1605}
   (( segid " 1SG" and resid 88   and name HB2 ))
   (( segid " 1SG" and resid 40   and name HD1 ))
 ASSI { 1616}
   (( segid " 1SG" and resid 108  and name HG1 ))
   (( segid " 1SG" and resid 108  and name HA  ))
      2.900     1.000     1.000 peak  1616 spectrum    1 weight  0.10000E+01 volume  0.16579E-02 ppm1      2.201 ppm2      4.149 CV     1
 OR { 1616}
   (( segid " 1SG" and resid 108  and name HG2 ))
   (( segid " 1SG" and resid 108  and name HA  ))
 ASSI { 1617}
   (( segid " 1SG" and resid 74   and name HB2 ))
   (  segid " 1SG" and resid 57   and name HD1%)
      3.600     1.600     1.600 peak  1617 spectrum    1 weight  0.10000E+01 volume  0.16575E-02 ppm1     -0.817 ppm2      0.626 CV     1
 OR { 1617}
   (( segid " 1SG" and resid 74   and name HB2 ))
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI { 1622}
   (( segid " 1SG" and resid 45   and name HG2 ))
   (( segid " 1SG" and resid 45   and name HA  ))
      2.800     0.900     0.900 peak  1622 spectrum    1 weight  0.10000E+01 volume  0.16546E-02 ppm1      0.599 ppm2      3.499 CV     1
 ASSI { 1624}
   (( segid " 1SG" and resid 68   and name HA  ))
   (( segid " 1SG" and resid 68   and name HB2 ))
      2.700     0.900     0.900 peak  1624 spectrum    1 weight  0.10000E+01 volume  0.16528E-02 ppm1      3.604 ppm2      1.772 CV     1
 ASSI { 1631}
   (( segid " 1SG" and resid 16   and name HB  ))
   (  segid " 1SG" and resid 22   and name HD1%)
      3.200     3.200     2.800 peak  1631 spectrum    1 weight  0.10000E+01 volume  0.16392E-02 ppm1      1.820 ppm2      0.552 CV     1
 ASSI { 1634}
   (  segid " 1SG" and resid 59   and name HD1%)
   (( segid " 1SG" and resid 43   and name HB2 ))
      3.300     3.300     2.700 peak  1634 spectrum    1 weight  0.10000E+01 volume  0.16312E-02 ppm1      0.832 ppm2      1.231 CV     1
 ASSI { 1636}
   (( segid " 1SG" and resid 8    and name HB  ))
   (( segid " 1SG" and resid 27   and name HB1 ))
      2.700     0.900     0.900 peak  1636 spectrum    1 weight  0.10000E+01 volume  0.16274E-02 ppm1      1.813 ppm2      1.600 CV     1
 OR { 1636}
   (( segid " 1SG" and resid 8    and name HB  ))
   (( segid " 1SG" and resid 27   and name HB2 ))
 ASSI { 1638}
   (( segid " 1SG" and resid 108  and name HA  ))
   (  segid " 1SG" and resid 18   and name HG1%)
      3.000     1.200     1.200 peak  1638 spectrum    1 weight  0.10000E+01 volume  0.16221E-02 ppm1      4.155 ppm2      1.005 CV     1
 ASSI { 1643}
   (( segid " 1SG" and resid 45   and name HB2 ))
   (( segid " 1SG" and resid 45   and name HA  ))
      3.000     1.100     1.100 peak  1643 spectrum    1 weight  0.10000E+01 volume  0.16179E-02 ppm1      0.604 ppm2      3.498 CV     1
 ASSI { 1653}
   (( segid " 1SG" and resid 4    and name HB  ))
   (( segid " 1SG" and resid 96   and name HB2 ))
      3.000     1.100     1.100 peak  1653 spectrum    1 weight  0.10000E+01 volume  0.16020E-02 ppm1      2.052 ppm2      1.589 CV     1
 ASSI { 1657}
   (( segid " 1SG" and resid 52   and name HD2 ))
   (( segid " 1SG" and resid 48   and name HB2 ))
      2.500     2.500     3.500 peak  1657 spectrum    1 weight  0.10000E+01 volume  0.15937E-02 ppm1      1.575 ppm2      2.922 CV     1
 OR { 1657}
   (( segid " 1SG" and resid 52   and name HD1 ))
   (( segid " 1SG" and resid 48   and name HB2 ))
 ASSI { 1660}
   (( segid " 1SG" and resid 76   and name HG12))
   (  segid " 1SG" and resid 57   and name HD1%)
      2.500     0.800     0.800 peak  1660 spectrum    1 weight  0.10000E+01 volume  0.15919E-02 ppm1      1.094 ppm2      0.621 CV     1
 OR { 1660}
   (( segid " 1SG" and resid 76   and name HG12))
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI { 1671}
   (( segid " 1SG" and resid 60   and name HB2 ))
   (( segid " 1SG" and resid 60   and name HA  ))
      3.000     1.200     1.200 peak  1671 spectrum    1 weight  0.10000E+01 volume  0.15789E-02 ppm1      2.975 ppm2      5.071 CV     1
 ASSI { 1672}
   (( segid " 1SG" and resid 43   and name HD1 ))
   (  segid " 1SG" and resid 49   and name HD1%)
      3.000     1.100     1.100 peak  1672 spectrum    1 weight  0.10000E+01 volume  0.15780E-02 ppm1      1.322 ppm2      1.761 CV     1
 OR { 1672}
   (( segid " 1SG" and resid 43   and name HD2 ))
   (  segid " 1SG" and resid 49   and name HD1%)
 ASSI { 1674}
   (( segid " 1SG" and resid 52   and name HB2 ))
   (( segid " 1SG" and resid 52   and name HG2 ))
      2.800     1.000     1.000 peak  1674 spectrum    1 weight  0.10000E+01 volume  0.15762E-02 ppm1      1.737 ppm2      1.330 CV     1
 OR { 1674}
   (( segid " 1SG" and resid 52   and name HB2 ))
   (( segid " 1SG" and resid 52   and name HG1 ))
 ASSI { 1676}
   (( segid " 1SG" and resid 36   and name HA  ))
   (( segid " 1SG" and resid 37   and name HD2 ))
      2.600     0.900     0.900 peak  1676 spectrum    1 weight  0.10000E+01 volume  0.15739E-02 ppm1      4.005 ppm2      2.360 CV     1
 ASSI { 1689}
   (( segid " 1SG" and resid 16   and name HA  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      3.100     1.200     1.200 peak  1689 spectrum    1 weight  0.10000E+01 volume  0.15591E-02 ppm1      4.604 ppm2      0.629 CV     1
 ASSI { 1694}
   (( segid " 1SG" and resid 57   and name HB2 ))
   (  segid " 1SG" and resid 57   and name HD1%)
      3.000     1.100     1.100 peak  1694 spectrum    1 weight  0.10000E+01 volume  0.15506E-02 ppm1      1.477 ppm2      0.615 CV     1
 OR { 1694}
   (( segid " 1SG" and resid 57   and name HB2 ))
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI { 1700}
   (( segid " 1SG" and resid 35   and name HG1 ))
   (( segid " 1SG" and resid 35   and name HA  ))
      3.300     1.300     1.300 peak  1700 spectrum    1 weight  0.10000E+01 volume  0.15453E-02 ppm1      1.361 ppm2      4.667 CV     1
 OR { 1700}
   (( segid " 1SG" and resid 35   and name HG2 ))
   (( segid " 1SG" and resid 35   and name HA  ))
 ASSI { 1703}
   (( segid " 1SG" and resid 25   and name HB2 ))
   (( segid " 1SG" and resid 25   and name HA  ))
      3.000     1.200     1.200 peak  1703 spectrum    1 weight  0.10000E+01 volume  0.15447E-02 ppm1      3.602 ppm2      5.692 CV     1
 ASSI { 1707}
   (( segid " 1SG" and resid 105  and name HA  ))
   (( segid " 1SG" and resid 84   and name HA  ))
      2.800     1.000     1.000 peak  1707 spectrum    1 weight  0.10000E+01 volume  0.15419E-02 ppm1      4.518 ppm2      4.230 CV     1
 OR { 1707}
   (( segid " 1SG" and resid 105  and name HA  ))
   (( segid " 1SG" and resid 84   and name HB  ))
 ASSI { 1720}
   (( segid " 1SG" and resid 36   and name HA  ))
   (( segid " 1SG" and resid 36   and name HB2 ))
      3.100     1.200     1.200 peak  1720 spectrum    1 weight  0.10000E+01 volume  0.15301E-02 ppm1      4.007 ppm2      1.642 CV     1
 ASSI { 1726}
   (( segid " 1SG" and resid 88   and name HA  ))
   (( segid " 1SG" and resid 100  and name HB2 ))
      3.400     3.400     2.600 peak  1726 spectrum    1 weight  0.10000E+01 volume  0.15228E-02 ppm1      5.349 ppm2      2.953 CV     1
 ASSI { 1727}
   (  segid " 1SG" and resid 104  and name HD1%)
   (  segid " 1SG" and resid 24   and name HE% )
      2.500     2.500     3.500 peak  1727 spectrum    1 weight  0.10000E+01 volume  0.15210E-02 ppm1      0.987 ppm2      7.171 CV     1
 ASSI { 1730}
   (  segid " 1SG" and resid 49   and name HD2%)
   (( segid " 1SG" and resid 59   and name HB1 ))
      2.800     1.000     1.000 peak  1730 spectrum    1 weight  0.10000E+01 volume  0.15203E-02 ppm1      1.042 ppm2      1.718 CV     1
 OR { 1730}
   (  segid " 1SG" and resid 49   and name HD2%)
   (( segid " 1SG" and resid 59   and name HB2 ))
 ASSI { 1748}
   (( segid " 1SG" and resid 23   and name HB  ))
   (( segid " 1SG" and resid 23   and name HA  ))
      2.900     1.000     1.000 peak  1748 spectrum    1 weight  0.10000E+01 volume  0.14973E-02 ppm1      3.583 ppm2      5.116 CV     1
 ASSI { 1760}
   (( segid " 1SG" and resid 49   and name HB2 ))
   (( segid " 1SG" and resid 52   and name HB2 ))
      3.300     3.300     2.700 peak  1760 spectrum    1 weight  0.10000E+01 volume  0.14780E-02 ppm1      1.571 ppm2      1.728 CV     1
 ASSI { 1764}
   (  segid " 1SG" and resid 76   and name HG2%)
   (( segid " 1SG" and resid 79   and name HA  ))
      2.800     1.000     1.000 peak  1764 spectrum    1 weight  0.10000E+01 volume  0.14732E-02 ppm1      0.825 ppm2      3.685 CV     1
 ASSI { 1771}
   (( segid " 1SG" and resid 36   and name HD2 ))
   (( segid " 1SG" and resid 36   and name HG2 ))
      2.600     0.900     0.900 peak  1771 spectrum    1 weight  0.10000E+01 volume  0.14684E-02 ppm1      3.510 ppm2      1.963 CV     1
 ASSI { 1789}
   (( segid " 1SG" and resid 9    and name HB2 ))
   (( segid " 1SG" and resid 9    and name HA  ))
      2.800     1.000     1.000 peak  1789 spectrum    1 weight  0.10000E+01 volume  0.14580E-02 ppm1      1.915 ppm2      4.655 CV     1
 ASSI { 1791}
   (( segid " 1SG" and resid 8    and name HB  ))
   (( segid " 1SG" and resid 8    and name HA  ))
      2.900     1.100     1.100 peak  1791 spectrum    1 weight  0.10000E+01 volume  0.14559E-02 ppm1      1.840 ppm2      4.168 CV     1
 ASSI { 1800}
   (  segid " 1SG" and resid 18   and name HG2%)
   (( segid " 1SG" and resid 80   and name HE21))
      3.200     3.200     2.800 peak  1800 spectrum    1 weight  0.10000E+01 volume  0.14470E-02 ppm1      0.979 ppm2      6.971 CV     1
 ASSI { 1802}
   (( segid " 1SG" and resid 72   and name HB2 ))
   (( segid " 1SG" and resid 72   and name HA  ))
      2.900     1.100     1.100 peak  1802 spectrum    1 weight  0.10000E+01 volume  0.14435E-02 ppm1      2.934 ppm2      5.351 CV     1
 ASSI { 1808}
   (( segid " 1SG" and resid 6    and name HG  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      2.800     1.000     1.000 peak  1808 spectrum    1 weight  0.10000E+01 volume  0.14375E-02 ppm1      1.340 ppm2      0.494 CV     1
 ASSI { 1809}
   (( segid " 1SG" and resid 24   and name HA  ))
   (( segid " 1SG" and resid 24   and name HB2 ))
      3.100     1.200     1.200 peak  1809 spectrum    1 weight  0.10000E+01 volume  0.14375E-02 ppm1      4.619 ppm2      2.415 CV     1
 ASSI { 1812}
   (( segid " 1SG" and resid 103  and name HB2 ))
   (( segid " 1SG" and resid 103  and name HA  ))
      3.000     1.100     1.100 peak  1812 spectrum    1 weight  0.10000E+01 volume  0.14334E-02 ppm1      2.506 ppm2      5.551 CV     1
 ASSI { 1815}
   (( segid " 1SG" and resid 105  and name HA  ))
   (( segid " 1SG" and resid 105  and name HB  ))
      2.900     1.000     1.000 peak  1815 spectrum    1 weight  0.10000E+01 volume  0.14317E-02 ppm1      4.515 ppm2      3.913 CV     1
 ASSI { 1826}
   (  segid " 1SG" and resid 91   and name HG2%)
   (  segid " 1SG" and resid 93   and name HG2%)
      3.300     1.300     1.300 peak  1826 spectrum    1 weight  0.10000E+01 volume  0.14219E-02 ppm1      0.186 ppm2      1.045 CV     1
 OR { 1826}
   (  segid " 1SG" and resid 91   and name HG1%)
   (  segid " 1SG" and resid 93   and name HG2%)
 ASSI { 1831}
   (  segid " 1SG" and resid 49   and name HD2%)
   (( segid " 1SG" and resid 49   and name HB2 ))
      3.100     1.200     1.200 peak  1831 spectrum    1 weight  0.10000E+01 volume  0.14170E-02 ppm1      1.030 ppm2      1.580 CV     1
 ASSI { 1841}
   (( segid " 1SG" and resid 52   and name HB2 ))
   (( segid " 1SG" and resid 52   and name HA  ))
      2.800     1.000     1.000 peak  1841 spectrum    1 weight  0.10000E+01 volume  0.14061E-02 ppm1      1.738 ppm2      4.629 CV     1
 ASSI { 1843}
   (( segid " 1SG" and resid 58   and name HA  ))
   (( segid " 1SG" and resid 58   and name HG2 ))
      3.300     1.400     1.400 peak  1843 spectrum    1 weight  0.10000E+01 volume  0.14052E-02 ppm1      4.621 ppm2      1.817 CV     1
 ASSI { 1852}
   (( segid " 1SG" and resid 69   and name HA  ))
   (( segid " 1SG" and resid 29   and name HA  ))
      2.700     0.900     0.900 peak  1852 spectrum    1 weight  0.10000E+01 volume  0.13907E-02 ppm1      4.592 ppm2      4.392 CV     1
 ASSI { 1870}
   (( segid " 1SG" and resid 15   and name HA  ))
   (( segid " 1SG" and resid 15   and name HG1 ))
      2.900     1.100     1.100 peak  1870 spectrum    1 weight  0.10000E+01 volume  0.13714E-02 ppm1      5.504 ppm2      2.280 CV     1
 OR { 1870}
   (( segid " 1SG" and resid 15   and name HA  ))
   (( segid " 1SG" and resid 15   and name HG2 ))
 ASSI { 1875}
   (( segid " 1SG" and resid 22   and name HB  ))
   (( segid " 1SG" and resid 104  and name HB2 ))
      3.200     1.300     1.300 peak  1875 spectrum    1 weight  0.10000E+01 volume  0.13689E-02 ppm1      1.541 ppm2      1.250 CV     1
 ASSI { 1880}
   (( segid " 1SG" and resid 56   and name HA  ))
   (( segid " 1SG" and resid 56   and name HB2 ))
      2.900     1.000     1.000 peak  1880 spectrum    1 weight  0.10000E+01 volume  0.13652E-02 ppm1      4.971 ppm2      3.108 CV     1
 ASSI { 1884}
   (( segid " 1SG" and resid 52   and name HG1 ))
   (( segid " 1SG" and resid 53   and name HB  ))
      3.300     3.300     2.700 peak  1884 spectrum    1 weight  0.10000E+01 volume  0.13637E-02 ppm1      1.340 ppm2      2.157 CV     1
 OR { 1884}
   (( segid " 1SG" and resid 52   and name HG2 ))
   (( segid " 1SG" and resid 53   and name HB  ))
 ASSI { 1886}
   (( segid " 1SG" and resid 18   and name HA  ))
   (  segid " 1SG" and resid 79   and name HB% )
      3.000     1.100     1.100 peak  1886 spectrum    1 weight  0.10000E+01 volume  0.13631E-02 ppm1      3.516 ppm2      1.196 CV     1
 ASSI { 1887}
   (( segid " 1SG" and resid 4    and name HB  ))
   (( segid " 1SG" and resid 4    and name HA  ))
      2.800     1.000     1.000 peak  1887 spectrum    1 weight  0.10000E+01 volume  0.13630E-02 ppm1      2.054 ppm2      4.033 CV     1
 ASSI { 1888}
   (( segid " 1SG" and resid 37   and name HB2 ))
   (( segid " 1SG" and resid 37   and name HA  ))
      3.000     1.100     1.100 peak  1888 spectrum    1 weight  0.10000E+01 volume  0.13624E-02 ppm1      1.383 ppm2      4.501 CV     1
 ASSI { 1889}
   (( segid " 1SG" and resid 91   and name HA  ))
   (( segid " 1SG" and resid 91   and name HB  ))
      2.700     0.900     0.900 peak  1889 spectrum    1 weight  0.10000E+01 volume  0.13620E-02 ppm1      4.743 ppm2      1.134 CV     1
 ASSI { 1895}
   (( segid " 1SG" and resid 6    and name HG  ))
   (  segid " 1SG" and resid 6    and name HD1%)
      2.800     1.000     1.000 peak  1895 spectrum    1 weight  0.10000E+01 volume  0.13577E-02 ppm1      1.341 ppm2      0.677 CV     1
 ASSI { 1898}
   (( segid " 1SG" and resid 49   and name HA  ))
   (( segid " 1SG" and resid 52   and name HB2 ))
      3.200     1.300     1.300 peak  1898 spectrum    1 weight  0.10000E+01 volume  0.13572E-02 ppm1      3.862 ppm2      1.730 CV     1
 ASSI { 1902}
   (( segid " 1SG" and resid 27   and name HA  ))
   (( segid " 1SG" and resid 71   and name HA  ))
      2.600     0.800     0.800 peak  1902 spectrum    1 weight  0.10000E+01 volume  0.13524E-02 ppm1      5.835 ppm2      5.076 CV     1
 ASSI { 1907}
   (( segid " 1SG" and resid 4    and name HB  ))
   (( segid " 1SG" and resid 4    and name HG12))
      2.900     1.100     1.100 peak  1907 spectrum    1 weight  0.10000E+01 volume  0.13428E-02 ppm1      2.046 ppm2      1.247 CV     1
 ASSI { 1908}
   (( segid " 1SG" and resid 45   and name HG2 ))
   (( segid " 1SG" and resid 45   and name HD2 ))
      2.900     1.000     1.000 peak  1908 spectrum    1 weight  0.10000E+01 volume  0.13424E-02 ppm1      0.596 ppm2      1.238 CV     1
 OR { 1908}
   (( segid " 1SG" and resid 45   and name HG2 ))
   (( segid " 1SG" and resid 45   and name HD1 ))
 ASSI { 1924}
   (( segid " 1SG" and resid 43   and name HB2 ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      3.200     3.200     2.800 peak  1924 spectrum    1 weight  0.10000E+01 volume  0.13216E-02 ppm1      1.237 ppm2      1.469 CV     1
 ASSI { 1932}
   (  segid " 1SG" and resid 57   and name HD2%)
   (  segid " 1SG" and resid 59   and name HD1%)
      3.600     1.600     1.600 peak  1932 spectrum    1 weight  0.10000E+01 volume  0.13179E-02 ppm1      0.616 ppm2      0.865 CV     1
 OR { 1932}
   (  segid " 1SG" and resid 57   and name HD1%)
   (  segid " 1SG" and resid 59   and name HD1%)
 ASSI { 1936}
   (  segid " 1SG" and resid 39   and name HG2%)
   (  segid " 1SG" and resid 28   and name HG2%)
      2.900     1.000     1.000 peak  1936 spectrum    1 weight  0.10000E+01 volume  0.13158E-02 ppm1     -0.444 ppm2      0.644 CV     1
 ASSI { 1941}
   (  segid " 1SG" and resid 26   and name HB% )
   (  segid " 1SG" and resid 28   and name HG2%)
      3.000     1.100     1.100 peak  1941 spectrum    1 weight  0.10000E+01 volume  0.13097E-02 ppm1      1.468 ppm2      0.658 CV     1
 ASSI { 1950}
   (( segid " 1SG" and resid 24   and name HA  ))
   (( segid " 1SG" and resid 12   and name HG2 ))
      2.500     2.500     3.500 peak  1950 spectrum    1 weight  0.10000E+01 volume  0.13039E-02 ppm1      4.620 ppm2      2.453 CV     1
 OR { 1950}
   (( segid " 1SG" and resid 24   and name HA  ))
   (( segid " 1SG" and resid 12   and name HG1 ))
 ASSI { 1953}
   (  segid " 1SG" and resid 8    and name HG1%)
   (( segid " 1SG" and resid 27   and name HD2 ))
      3.100     1.200     1.200 peak  1953 spectrum    1 weight  0.10000E+01 volume  0.13023E-02 ppm1      0.980 ppm2      3.114 CV     1
 OR { 1953}
   (  segid " 1SG" and resid 8    and name HG1%)
   (( segid " 1SG" and resid 27   and name HD1 ))
 OR { 1953}
   (  segid " 1SG" and resid 8    and name HG2%)
   (( segid " 1SG" and resid 27   and name HD2 ))
 OR { 1953}
   (  segid " 1SG" and resid 8    and name HG2%)
   (( segid " 1SG" and resid 27   and name HD1 ))
 ASSI { 1956}
   (( segid " 1SG" and resid 83   and name HA  ))
   (( segid " 1SG" and resid 83   and name HB2 ))
      2.900     1.000     1.000 peak  1956 spectrum    1 weight  0.10000E+01 volume  0.13008E-02 ppm1      4.609 ppm2      3.190 CV     1
 ASSI { 1958}
   (( segid " 1SG" and resid 40   and name HA  ))
   (( segid " 1SG" and resid 40   and name HG1 ))
      3.400     1.400     1.400 peak  1958 spectrum    1 weight  0.10000E+01 volume  0.12970E-02 ppm1      4.545 ppm2      1.245 CV     1
 OR { 1958}
   (( segid " 1SG" and resid 40   and name HA  ))
   (( segid " 1SG" and resid 40   and name HG2 ))
 ASSI { 1963}
   (  segid " 1SG" and resid 77   and name HG2%)
   (( segid " 1SG" and resid 76   and name HA  ))
      3.300     1.300     1.300 peak  1963 spectrum    1 weight  0.10000E+01 volume  0.12947E-02 ppm1      1.045 ppm2      4.982 CV     1
 ASSI { 1969}
   (( segid " 1SG" and resid 12   and name HB2 ))
   (  segid " 1SG" and resid 22   and name HD1%)
      2.900     2.900     3.100 peak  1969 spectrum    1 weight  0.10000E+01 volume  0.12891E-02 ppm1      1.944 ppm2      0.544 CV     1
 ASSI { 1970}
   (  segid " 1SG" and resid 91   and name HG2%)
   (( segid " 1SG" and resid 38   and name HA  ))
      3.500     1.500     1.500 peak  1970 spectrum    1 weight  0.10000E+01 volume  0.12875E-02 ppm1      0.115 ppm2      3.907 CV     1
 ASSI { 1977}
   (  segid " 1SG" and resid 38   and name HG2%)
   (( segid " 1SG" and resid 35   and name HD1 ))
      3.000     1.100     1.100 peak  1977 spectrum    1 weight  0.10000E+01 volume  0.12829E-02 ppm1      0.817 ppm2      1.643 CV     1
 OR { 1977}
   (  segid " 1SG" and resid 38   and name HG2%)
   (( segid " 1SG" and resid 35   and name HD2 ))
 OR { 1977}
   (  segid " 1SG" and resid 38   and name HG1%)
   (( segid " 1SG" and resid 35   and name HD1 ))
 OR { 1977}
   (  segid " 1SG" and resid 38   and name HG1%)
   (( segid " 1SG" and resid 35   and name HD2 ))
 ASSI { 1987}
   (( segid " 1SG" and resid 36   and name HD2 ))
   (( segid " 1SG" and resid 35   and name HB2 ))
      2.800     1.000     1.000 peak  1987 spectrum    1 weight  0.10000E+01 volume  0.12712E-02 ppm1      3.509 ppm2      1.780 CV     1
 OR { 1987}
   (( segid " 1SG" and resid 36   and name HD2 ))
   (( segid " 1SG" and resid 35   and name HB1 ))
 ASSI { 1991}
   (  segid " 1SG" and resid 18   and name HG1%)
   (( segid " 1SG" and resid 81   and name HD2 ))
      3.600     1.600     1.600 peak  1991 spectrum    1 weight  0.10000E+01 volume  0.12673E-02 ppm1      1.013 ppm2      3.582 CV     1
 ASSI { 1993}
   (( segid " 1SG" and resid 71   and name HA  ))
   (( segid " 1SG" and resid 71   and name HB2 ))
      2.600     0.800     0.800 peak  1993 spectrum    1 weight  0.10000E+01 volume  0.12655E-02 ppm1      5.070 ppm2      1.269 CV     1
 ASSI { 1994}
   (( segid " 1SG" and resid 103  and name HA  ))
   (( segid " 1SG" and resid 86   and name HA2 ))
      2.600     0.900     0.900 peak  1994 spectrum    1 weight  0.10000E+01 volume  0.12651E-02 ppm1      5.554 ppm2      4.675 CV     1
 ASSI { 1996}
   (( segid " 1SG" and resid 81   and name HD2 ))
   (( segid " 1SG" and resid 80   and name HG1 ))
      2.700     0.900     0.900 peak  1996 spectrum    1 weight  0.10000E+01 volume  0.12640E-02 ppm1      3.576 ppm2      2.181 CV     1
 OR { 1996}
   (( segid " 1SG" and resid 81   and name HD2 ))
   (( segid " 1SG" and resid 80   and name HG2 ))
 ASSI { 2003}
   (( segid " 1SG" and resid 57   and name HG  ))
   (  segid " 1SG" and resid 49   and name HD1%)
      3.100     1.200     1.200 peak  2003 spectrum    1 weight  0.10000E+01 volume  0.12552E-02 ppm1      0.757 ppm2      1.744 CV     1
 ASSI { 2006}
   (( segid " 1SG" and resid 22   and name HA  ))
   (  segid " 1SG" and resid 22   and name HD1%)
      2.900     1.000     1.000 peak  2006 spectrum    1 weight  0.10000E+01 volume  0.12538E-02 ppm1      4.352 ppm2      0.547 CV     1
 ASSI { 2016}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 22   and name HA  ))
      3.200     1.300     1.300 peak  2016 spectrum    1 weight  0.10000E+01 volume  0.12480E-02 ppm1      0.604 ppm2      4.356 CV     1
 ASSI { 2017}
   (( segid " 1SG" and resid 90   and name HA  ))
   (( segid " 1SG" and resid 99   and name HA  ))
      2.800     1.000     1.000 peak  2017 spectrum    1 weight  0.10000E+01 volume  0.12476E-02 ppm1      4.768 ppm2      5.709 CV     1
 ASSI { 2018}
   (( segid " 1SG" and resid 68   and name HE1 ))
   (( segid " 1SG" and resid 37   and name HG2 ))
      2.800     2.800     3.200 peak  2018 spectrum    1 weight  0.10000E+01 volume  0.12465E-02 ppm1      3.019 ppm2      1.361 CV     1
 OR { 2018}
   (( segid " 1SG" and resid 68   and name HE2 ))
   (( segid " 1SG" and resid 37   and name HG2 ))
 OR { 2018}
   (( segid " 1SG" and resid 68   and name HE1 ))
   (( segid " 1SG" and resid 37   and name HB2 ))
 OR { 2018}
   (( segid " 1SG" and resid 68   and name HE2 ))
   (( segid " 1SG" and resid 37   and name HB2 ))
 ASSI { 2024}
   (  segid " 1SG" and resid 49   and name HD2%)
   (  segid " 1SG" and resid 87   and name HD% )
      3.100     1.200     1.200 peak  2024 spectrum    1 weight  0.10000E+01 volume  0.12406E-02 ppm1      1.029 ppm2      6.809 CV     1
 ASSI { 2025}
   (( segid " 1SG" and resid 4    and name HA  ))
   (( segid " 1SG" and resid 4    and name HG12))
      2.900     1.000     1.000 peak  2025 spectrum    1 weight  0.10000E+01 volume  0.12400E-02 ppm1      4.024 ppm2      1.245 CV     1
 ASSI { 2045}
   (( segid " 1SG" and resid 108  and name HG1 ))
   (  segid " 1SG" and resid 18   and name HG1%)
      3.000     1.100     1.100 peak  2045 spectrum    1 weight  0.10000E+01 volume  0.12267E-02 ppm1      2.191 ppm2      0.964 CV     1
 OR { 2045}
   (( segid " 1SG" and resid 108  and name HG2 ))
   (  segid " 1SG" and resid 18   and name HG2%)
 OR { 2045}
   (( segid " 1SG" and resid 108  and name HG1 ))
   (  segid " 1SG" and resid 18   and name HG2%)
 ASSI { 2047}
   (( segid " 1SG" and resid 40   and name HB2 ))
   (( segid " 1SG" and resid 40   and name HD2 ))
      2.800     1.000     1.000 peak  2047 spectrum    1 weight  0.10000E+01 volume  0.12252E-02 ppm1      1.370 ppm2      1.689 CV     1
 OR { 2047}
   (( segid " 1SG" and resid 40   and name HB2 ))
   (( segid " 1SG" and resid 40   and name HD1 ))
 ASSI { 2066}
   (( segid " 1SG" and resid 10   and name HB2 ))
   (  segid " 1SG" and resid 26   and name HB% )
      3.300     3.300     2.700 peak  2066 spectrum    1 weight  0.10000E+01 volume  0.12082E-02 ppm1      1.238 ppm2      1.481 CV     1
 ASSI { 2073}
   (  segid " 1SG" and resid 76   and name HD1%)
   (  segid " 1SG" and resid 24   and name HE% )
      2.800     1.000     1.000 peak  2073 spectrum    1 weight  0.10000E+01 volume  0.12022E-02 ppm1      0.676 ppm2      7.166 CV     1
 ASSI { 2078}
   (  segid " 1SG" and resid 69   and name HG1%)
   (( segid " 1SG" and resid 27   and name HA  ))
      3.200     1.300     1.300 peak  2078 spectrum    1 weight  0.10000E+01 volume  0.11985E-02 ppm1      0.856 ppm2      5.839 CV     1
 ASSI { 2079}
   (  segid " 1SG" and resid 77   and name HG2%)
   (( segid " 1SG" and resid 21   and name HB2 ))
      3.000     1.100     1.100 peak  2079 spectrum    1 weight  0.10000E+01 volume  0.11976E-02 ppm1      1.049 ppm2      3.757 CV     1
 ASSI { 2082}
   (( segid " 1SG" and resid 21   and name HA  ))
   (( segid " 1SG" and resid 20   and name HN  ))
      3.200     3.200     2.800 peak  2082 spectrum    1 weight  0.10000E+01 volume  0.11964E-02 ppm1      5.517 ppm2      8.843 CV     1
 ASSI { 2087}
   (( segid " 1SG" and resid 58   and name HG2 ))
   (( segid " 1SG" and resid 75   and name HB2 ))
      3.100     1.200     1.200 peak  2087 spectrum    1 weight  0.10000E+01 volume  0.11911E-02 ppm1      1.816 ppm2      2.887 CV     1
 OR { 2087}
   (( segid " 1SG" and resid 58   and name HG2 ))
   (( segid " 1SG" and resid 75   and name HB1 ))
 ASSI { 2091}
   (( segid " 1SG" and resid 38   and name HA  ))
   (( segid " 1SG" and resid 38   and name HB  ))
      3.000     1.100     1.100 peak  2091 spectrum    1 weight  0.10000E+01 volume  0.11891E-02 ppm1      3.896 ppm2      1.900 CV     1
 ASSI { 2110}
   (( segid " 1SG" and resid 37   and name HD2 ))
   (( segid " 1SG" and resid 37   and name HG2 ))
      2.700     0.900     0.900 peak  2110 spectrum    1 weight  0.10000E+01 volume  0.11773E-02 ppm1      2.368 ppm2      1.373 CV     1
 OR { 2110}
   (( segid " 1SG" and resid 37   and name HD2 ))
   (( segid " 1SG" and resid 37   and name HB2 ))
 ASSI { 2121}
   (( segid " 1SG" and resid 76   and name HA  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      3.000     1.100     1.100 peak  2121 spectrum    1 weight  0.10000E+01 volume  0.11708E-02 ppm1      5.017 ppm2      1.434 CV     1
 ASSI { 2125}
   (( segid " 1SG" and resid 73   and name HB2 ))
   (  segid " 1SG" and resid 23   and name HG2%)
      3.100     1.200     1.200 peak  2125 spectrum    1 weight  0.10000E+01 volume  0.11678E-02 ppm1      1.540 ppm2      0.786 CV     1
 ASSI { 2138}
   (( segid " 1SG" and resid 49   and name HA  ))
   (( segid " 1SG" and resid 49   and name HB2 ))
      3.000     1.100     1.100 peak  2138 spectrum    1 weight  0.10000E+01 volume  0.11581E-02 ppm1      3.867 ppm2      1.568 CV     1
 ASSI { 2158}
   (( segid " 1SG" and resid 22   and name HA  ))
   (( segid " 1SG" and resid 22   and name HG12))
      3.500     1.500     1.500 peak  2158 spectrum    1 weight  0.10000E+01 volume  0.11503E-02 ppm1      4.352 ppm2      0.101 CV     1
 ASSI { 2171}
   (( segid " 1SG" and resid 83   and name HA  ))
   (  segid " 1SG" and resid 83   and name HD% )
      2.800     1.000     1.000 peak  2171 spectrum    1 weight  0.10000E+01 volume  0.11427E-02 ppm1      4.623 ppm2      7.128 CV     1
 ASSI { 2173}
   (( segid " 1SG" and resid 48   and name HA  ))
   (( segid " 1SG" and resid 42   and name HA  ))
      3.000     1.100     1.100 peak  2173 spectrum    1 weight  0.10000E+01 volume  0.11401E-02 ppm1      4.223 ppm2      5.804 CV     1
 ASSI { 2183}
   (( segid " 1SG" and resid 77   and name HA  ))
   (( segid " 1SG" and resid 21   and name HB2 ))
      3.300     1.400     1.400 peak  2183 spectrum    1 weight  0.10000E+01 volume  0.11351E-02 ppm1      4.660 ppm2      3.760 CV     1
 ASSI { 2186}
   (( segid " 1SG" and resid 80   and name HG1 ))
   (( segid " 1SG" and resid 106  and name HB  ))
      3.400     3.400     2.600 peak  2186 spectrum    1 weight  0.10000E+01 volume  0.11338E-02 ppm1      2.159 ppm2      1.868 CV     1
 OR { 2186}
   (( segid " 1SG" and resid 80   and name HG2 ))
   (( segid " 1SG" and resid 106  and name HB  ))
 ASSI { 2192}
   (  segid " 1SG" and resid 76   and name HG2%)
   (  segid " 1SG" and resid 83   and name HD% )
      3.100     1.200     1.200 peak  2192 spectrum    1 weight  0.10000E+01 volume  0.11285E-02 ppm1      0.821 ppm2      7.134 CV     1
 ASSI { 2197}
   (( segid " 1SG" and resid 27   and name HD1 ))
   (( segid " 1SG" and resid 9    and name HB2 ))
      3.000     1.100     1.100 peak  2197 spectrum    1 weight  0.10000E+01 volume  0.11260E-02 ppm1      3.125 ppm2      1.911 CV     1
 OR { 2197}
   (( segid " 1SG" and resid 27   and name HD2 ))
   (( segid " 1SG" and resid 9    and name HB2 ))
 ASSI { 2202}
   (  segid " 1SG" and resid 39   and name HG1%)
   (  segid " 1SG" and resid 91   and name HG2%)
      3.200     1.300     1.300 peak  2202 spectrum    1 weight  0.10000E+01 volume  0.11240E-02 ppm1     -0.058 ppm2      0.160 CV     1
 ASSI { 2207}
   (( segid " 1SG" and resid 65   and name HA  ))
   (( segid " 1SG" and resid 68   and name HA  ))
      3.100     1.200     1.200 peak  2207 spectrum    1 weight  0.10000E+01 volume  0.11198E-02 ppm1      3.454 ppm2      3.592 CV     1
 ASSI { 2222}
   (( segid " 1SG" and resid 48   and name HA  ))
   (( segid " 1SG" and resid 48   and name HB2 ))
      3.000     1.200     1.200 peak  2222 spectrum    1 weight  0.10000E+01 volume  0.11090E-02 ppm1      4.212 ppm2      2.933 CV     1
 ASSI { 2227}
   (( segid " 1SG" and resid 104  and name HA  ))
   (( segid " 1SG" and resid 104  and name HG  ))
      3.000     1.100     1.100 peak  2227 spectrum    1 weight  0.10000E+01 volume  0.11055E-02 ppm1      5.435 ppm2      1.354 CV     1
 ASSI { 2230}
   (( segid " 1SG" and resid 43   and name HE2 ))
   (  segid " 1SG" and resid 47   and name HG1%)
      3.000     1.100     1.100 peak  2230 spectrum    1 weight  0.10000E+01 volume  0.11046E-02 ppm1      2.519 ppm2      0.999 CV     1
 ASSI { 2232}
   (  segid " 1SG" and resid 22   and name HD1%)
   (( segid " 1SG" and resid 22   and name HA  ))
      3.000     1.100     1.100 peak  2232 spectrum    1 weight  0.10000E+01 volume  0.11020E-02 ppm1      0.551 ppm2      4.359 CV     1
 OR { 2232}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 22   and name HA  ))
 ASSI { 2236}
   (  segid " 1SG" and resid 16   and name HG1%)
   (( segid " 1SG" and resid 22   and name HG12))
      3.400     3.400     2.600 peak  2236 spectrum    1 weight  0.10000E+01 volume  0.10998E-02 ppm1      0.978 ppm2      0.115 CV     1
 ASSI { 2241}
   (( segid " 1SG" and resid 27   and name HD1 ))
   (( segid " 1SG" and resid 9    and name HG2 ))
      3.100     1.200     1.200 peak  2241 spectrum    1 weight  0.10000E+01 volume  0.10984E-02 ppm1      3.123 ppm2      2.513 CV     1
 OR { 2241}
   (( segid " 1SG" and resid 27   and name HD2 ))
   (( segid " 1SG" and resid 9    and name HG2 ))
 ASSI { 2243}
   (( segid " 1SG" and resid 28   and name HB  ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      2.800     1.000     1.000 peak  2243 spectrum    1 weight  0.10000E+01 volume  0.10974E-02 ppm1      1.975 ppm2      2.823 CV     1
 ASSI { 2245}
   (( segid " 1SG" and resid 13   and name HA  ))
   (( segid " 1SG" and resid 103  and name HA  ))
      3.100     1.200     1.200 peak  2245 spectrum    1 weight  0.10000E+01 volume  0.10966E-02 ppm1      5.374 ppm2      5.527 CV     1
 ASSI { 2255}
   (  segid " 1SG" and resid 77   and name HG2%)
   (( segid " 1SG" and resid 75   and name HB1 ))
      2.800     1.000     1.000 peak  2255 spectrum    1 weight  0.10000E+01 volume  0.10926E-02 ppm1      1.046 ppm2      2.909 CV     1
 ASSI { 2256}
   (( segid " 1SG" and resid 34   and name HA  ))
   (( segid " 1SG" and resid 34   and name HG  ))
      3.200     1.200     1.200 peak  2256 spectrum    1 weight  0.10000E+01 volume  0.10920E-02 ppm1      4.298 ppm2      0.927 CV     1
 ASSI { 2258}
   (( segid " 1SG" and resid 6    and name HB2 ))
   (  segid " 1SG" and resid 6    and name HD1%)
      2.900     1.000     1.000 peak  2258 spectrum    1 weight  0.10000E+01 volume  0.10914E-02 ppm1      0.963 ppm2      0.668 CV     1
 ASSI { 2267}
   (( segid " 1SG" and resid 49   and name HA  ))
   (( segid " 1SG" and resid 52   and name HG1 ))
      3.300     1.300     1.300 peak  2267 spectrum    1 weight  0.10000E+01 volume  0.10869E-02 ppm1      3.862 ppm2      1.350 CV     1
 OR { 2267}
   (( segid " 1SG" and resid 49   and name HA  ))
   (( segid " 1SG" and resid 52   and name HG2 ))
 ASSI { 2271}
   (( segid " 1SG" and resid 76   and name HB  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      3.600     3.600     2.400 peak  2271 spectrum    1 weight  0.10000E+01 volume  0.10842E-02 ppm1      1.936 ppm2      1.428 CV     1
 ASSI { 2279}
   (( segid " 1SG" and resid 88   and name HA  ))
   (( segid " 1SG" and resid 99   and name HB2 ))
      3.300     3.300     2.700 peak  2279 spectrum    1 weight  0.10000E+01 volume  0.10779E-02 ppm1      5.350 ppm2      2.743 CV     1
 ASSI { 2289}
   (  segid " 1SG" and resid 28   and name HG2%)
   (( segid " 1SG" and resid 37   and name HB2 ))
      3.200     1.300     1.300 peak  2289 spectrum    1 weight  0.10000E+01 volume  0.10722E-02 ppm1      0.647 ppm2      1.378 CV     1
 OR { 2289}
   (  segid " 1SG" and resid 28   and name HG2%)
   (( segid " 1SG" and resid 37   and name HG2 ))
 ASSI { 2293}
   (( segid " 1SG" and resid 31   and name HA  ))
   (( segid " 1SG" and resid 68   and name HG1 ))
      3.200     1.300     1.300 peak  2293 spectrum    1 weight  0.10000E+01 volume  0.10701E-02 ppm1      4.171 ppm2      1.264 CV     1
 OR { 2293}
   (( segid " 1SG" and resid 31   and name HA  ))
   (( segid " 1SG" and resid 68   and name HG2 ))
 ASSI { 2296}
   (  segid " 1SG" and resid 59   and name HD2%)
   (( segid " 1SG" and resid 41   and name HD1 ))
      3.100     1.200     1.200 peak  2296 spectrum    1 weight  0.10000E+01 volume  0.10677E-02 ppm1      0.713 ppm2      7.136 CV     1
 ASSI { 2297}
   (( segid " 1SG" and resid 33   and name HB2 ))
   (( segid " 1SG" and resid 93   and name HA  ))
      3.500     1.500     1.500 peak  2297 spectrum    1 weight  0.10000E+01 volume  0.10672E-02 ppm1      1.752 ppm2      4.754 CV     1
 ASSI { 2301}
   (( segid " 1SG" and resid 91   and name HB  ))
   (  segid " 1SG" and resid 39   and name HG2%)
      3.100     1.200     1.200 peak  2301 spectrum    1 weight  0.10000E+01 volume  0.10650E-02 ppm1      1.137 ppm2     -0.446 CV     1
 ASSI { 2305}
   (( segid " 1SG" and resid 6    and name HG  ))
   (( segid " 1SG" and resid 96   and name HB2 ))
      3.600     1.600     1.600 peak  2305 spectrum    1 weight  0.10000E+01 volume  0.10624E-02 ppm1      1.340 ppm2      1.586 CV     1
 ASSI { 2309}
   (( segid " 1SG" and resid 51   and name HA  ))
   (( segid " 1SG" and resid 49   and name HA  ))
      3.500     3.500     2.500 peak  2309 spectrum    1 weight  0.10000E+01 volume  0.10604E-02 ppm1      4.570 ppm2      3.884 CV     1
 ASSI { 2310}
   (( segid " 1SG" and resid 70   and name HA  ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      3.300     1.300     1.300 peak  2310 spectrum    1 weight  0.10000E+01 volume  0.10595E-02 ppm1      4.744 ppm2      2.830 CV     1
 ASSI { 2317}
   (( segid " 1SG" and resid 93   and name HB  ))
   (  segid " 1SG" and resid 33   and name HD1%)
      3.300     1.400     1.400 peak  2317 spectrum    1 weight  0.10000E+01 volume  0.10568E-02 ppm1      4.559 ppm2      0.871 CV     1
 ASSI { 2331}
   (  segid " 1SG" and resid 106  and name HG1%)
   (( segid " 1SG" and resid 81   and name HA  ))
      2.900     1.000     1.000 peak  2331 spectrum    1 weight  0.10000E+01 volume  0.10510E-02 ppm1      0.693 ppm2      4.008 CV     1
 ASSI { 2335}
   (( segid " 1SG" and resid 39   and name HA  ))
   (( segid " 1SG" and resid 39   and name HB  ))
      3.000     1.100     1.100 peak  2335 spectrum    1 weight  0.10000E+01 volume  0.10470E-02 ppm1      4.804 ppm2      0.587 CV     1
 ASSI { 2340}
   (( segid " 1SG" and resid 98   and name HA  ))
   (( segid " 1SG" and resid 98   and name HB2 ))
      3.200     1.300     1.300 peak  2340 spectrum    1 weight  0.10000E+01 volume  0.10451E-02 ppm1      4.694 ppm2      2.296 CV     1
 ASSI { 2346}
   (( segid " 1SG" and resid 6    and name HB2 ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.100     1.200     1.200 peak  2346 spectrum    1 weight  0.10000E+01 volume  0.10416E-02 ppm1      0.963 ppm2      0.486 CV     1
 ASSI { 2362}
   (( segid " 1SG" and resid 7    and name HA  ))
   (( segid " 1SG" and resid 7    and name HB2 ))
      3.000     1.100     1.100 peak  2362 spectrum    1 weight  0.10000E+01 volume  0.10356E-02 ppm1      4.637 ppm2      2.585 CV     1
 ASSI { 2363}
   (( segid " 1SG" and resid 36   and name HA  ))
   (( segid " 1SG" and resid 36   and name HG2 ))
      3.700     1.700     1.700 peak  2363 spectrum    1 weight  0.10000E+01 volume  0.10349E-02 ppm1      4.009 ppm2      1.986 CV     1
 ASSI { 2364}
   (( segid " 1SG" and resid 81   and name HD2 ))
   (( segid " 1SG" and resid 80   and name HB1 ))
      3.100     1.200     1.200 peak  2364 spectrum    1 weight  0.10000E+01 volume  0.10347E-02 ppm1      3.586 ppm2      1.952 CV     1
 OR { 2364}
   (( segid " 1SG" and resid 81   and name HD2 ))
   (( segid " 1SG" and resid 80   and name HB2 ))
 ASSI { 2366}
   (  segid " 1SG" and resid 59   and name HD1%)
   (( segid " 1SG" and resid 59   and name HA  ))
      3.600     1.700     1.700 peak  2366 spectrum    1 weight  0.10000E+01 volume  0.10337E-02 ppm1      0.860 ppm2      5.189 CV     1
 ASSI { 2378}
   (( segid " 1SG" and resid 104  and name HA  ))
   (( segid " 1SG" and resid 104  and name HB2 ))
      2.800     1.000     1.000 peak  2378 spectrum    1 weight  0.10000E+01 volume  0.10243E-02 ppm1      5.436 ppm2      1.226 CV     1
 ASSI { 2382}
   (  segid " 1SG" and resid 76   and name HD1%)
   (( segid " 1SG" and resid 76   and name HA  ))
      3.600     1.600     1.600 peak  2382 spectrum    1 weight  0.10000E+01 volume  0.10218E-02 ppm1      0.679 ppm2      5.010 CV     1
 ASSI { 2392}
   (( segid " 1SG" and resid 43   and name HA  ))
   (( segid " 1SG" and resid 43   and name HB2 ))
      2.800     1.000     1.000 peak  2392 spectrum    1 weight  0.10000E+01 volume  0.10171E-02 ppm1      4.138 ppm2      1.232 CV     1
 ASSI { 2397}
   (( segid " 1SG" and resid 6    and name HA  ))
   (  segid " 1SG" and resid 29   and name HB% )
      3.000     1.200     1.200 peak  2397 spectrum    1 weight  0.10000E+01 volume  0.10157E-02 ppm1      4.459 ppm2      1.524 CV     1
 ASSI { 2402}
   (( segid " 1SG" and resid 101  and name HA  ))
   (( segid " 1SG" and resid 101  and name HB2 ))
      3.000     1.200     1.200 peak  2402 spectrum    1 weight  0.10000E+01 volume  0.10113E-02 ppm1      5.518 ppm2      2.697 CV     1
 ASSI { 2404}
   (  segid " 1SG" and resid 106  and name HG1%)
   (( segid " 1SG" and resid 83   and name HB2 ))
      3.100     1.200     1.200 peak  2404 spectrum    1 weight  0.10000E+01 volume  0.10107E-02 ppm1      0.689 ppm2      3.185 CV     1
 ASSI { 2405}
   (  segid " 1SG" and resid 26   and name HB% )
   (( segid " 1SG" and resid 72   and name HB2 ))
      3.000     1.100     1.100 peak  2405 spectrum    1 weight  0.10000E+01 volume  0.10102E-02 ppm1      1.468 ppm2      2.900 CV     1
 ASSI { 2415}
   (( segid " 1SG" and resid 43   and name HB2 ))
   (( segid " 1SG" and resid 43   and name HD1 ))
      2.900     1.100     1.100 peak  2415 spectrum    1 weight  0.10000E+01 volume  0.10025E-02 ppm1      1.235 ppm2      1.303 CV     1
 OR { 2415}
   (( segid " 1SG" and resid 43   and name HB2 ))
   (( segid " 1SG" and resid 43   and name HD2 ))
 ASSI { 2419}
   (( segid " 1SG" and resid 68   and name HA  ))
   (( segid " 1SG" and resid 68   and name HD2 ))
      3.500     1.600     1.600 peak  2419 spectrum    1 weight  0.10000E+01 volume  0.10013E-02 ppm1      3.611 ppm2      1.688 CV     1
 OR { 2419}
   (( segid " 1SG" and resid 68   and name HA  ))
   (( segid " 1SG" and resid 68   and name HD1 ))
 ASSI { 2438}
   (( segid " 1SG" and resid 41   and name HB2 ))
   (  segid " 1SG" and resid 49   and name HD2%)
      3.100     1.200     1.200 peak  2438 spectrum    1 weight  0.10000E+01 volume  0.99004E-03 ppm1      3.149 ppm2      1.032 CV     1
 ASSI { 2444}
   (( segid " 1SG" and resid 39   and name HA  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      3.500     1.500     1.500 peak  2444 spectrum    1 weight  0.10000E+01 volume  0.98476E-03 ppm1      4.810 ppm2      0.189 CV     1
 OR { 2444}
   (( segid " 1SG" and resid 39   and name HA  ))
   (  segid " 1SG" and resid 91   and name HG1%)
 ASSI { 2472}
   (( segid " 1SG" and resid 41   and name HA  ))
   (( segid " 1SG" and resid 41   and name HB2 ))
      3.200     1.200     1.200 peak  2472 spectrum    1 weight  0.10000E+01 volume  0.96928E-03 ppm1      5.478 ppm2      3.157 CV     1
 ASSI { 2478}
   (  segid " 1SG" and resid 49   and name HD2%)
   (( segid " 1SG" and resid 53   and name HN  ))
      3.400     1.400     1.400 peak  2478 spectrum    1 weight  0.10000E+01 volume  0.96284E-03 ppm1      1.042 ppm2      6.757 CV     1
 ASSI { 2484}
   (( segid " 1SG" and resid 103  and name HA  ))
   (( segid " 1SG" and resid 86   and name HA1 ))
      3.900     1.900     1.900 peak  2484 spectrum    1 weight  0.10000E+01 volume  0.96116E-03 ppm1      5.555 ppm2      3.498 CV     1
 ASSI { 2491}
   (( segid " 1SG" and resid 76   and name HA  ))
   (( segid " 1SG" and resid 76   and name HG12))
      2.700     0.900     0.900 peak  2491 spectrum    1 weight  0.10000E+01 volume  0.95768E-03 ppm1      5.014 ppm2      1.107 CV     1
 ASSI { 2498}
   (( segid " 1SG" and resid 69   and name HA  ))
   (( segid " 1SG" and resid 69   and name HB  ))
      3.100     1.200     1.200 peak  2498 spectrum    1 weight  0.10000E+01 volume  0.95175E-03 ppm1      4.599 ppm2      1.771 CV     1
 ASSI { 2500}
   (( segid " 1SG" and resid 3    and name HD2 ))
   (( segid " 1SG" and resid 3    and name HB2 ))
      3.500     1.600     1.600 peak  2500 spectrum    1 weight  0.10000E+01 volume  0.94917E-03 ppm1      3.865 ppm2      2.293 CV     1
 OR { 2500}
   (( segid " 1SG" and resid 3    and name HD1 ))
   (( segid " 1SG" and resid 3    and name HB1 ))
 OR { 2500}
   (( segid " 1SG" and resid 3    and name HD1 ))
   (( segid " 1SG" and resid 3    and name HB2 ))
 OR { 2500}
   (( segid " 1SG" and resid 3    and name HD2 ))
   (( segid " 1SG" and resid 3    and name HB1 ))
 ASSI { 2501}
   (( segid " 1SG" and resid 42   and name HA  ))
   (  segid " 1SG" and resid 49   and name HD1%)
      3.000     1.100     1.100 peak  2501 spectrum    1 weight  0.10000E+01 volume  0.94904E-03 ppm1      5.813 ppm2      1.783 CV     1
 ASSI { 2511}
   (( segid " 1SG" and resid 16   and name HB  ))
   (( segid " 1SG" and resid 22   and name HB  ))
      3.400     1.400     1.400 peak  2511 spectrum    1 weight  0.10000E+01 volume  0.93853E-03 ppm1      1.814 ppm2      1.533 CV     1
 ASSI { 2523}
   (  segid " 1SG" and resid 53   and name HG2%)
   (( segid " 1SG" and resid 43   and name HB2 ))
      3.600     3.600     2.400 peak  2523 spectrum    1 weight  0.10000E+01 volume  0.93428E-03 ppm1      1.111 ppm2      1.209 CV     1
 OR { 2523}
   (  segid " 1SG" and resid 53   and name HG1%)
   (( segid " 1SG" and resid 43   and name HB2 ))
 ASSI { 2528}
   (( segid " 1SG" and resid 6    and name HA  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.500     1.500     1.500 peak  2528 spectrum    1 weight  0.10000E+01 volume  0.93150E-03 ppm1      4.452 ppm2      0.493 CV     1
 ASSI { 2549}
   (  segid " 1SG" and resid 39   and name HG2%)
   (( segid " 1SG" and resid 37   and name HB2 ))
      2.900     1.000     1.000 peak  2549 spectrum    1 weight  0.10000E+01 volume  0.91912E-03 ppm1     -0.453 ppm2      1.391 CV     1
 ASSI { 2550}
   (( segid " 1SG" and resid 85   and name HA2 ))
   (( segid " 1SG" and resid 44   and name HA2 ))
      3.500     1.600     1.600 peak  2550 spectrum    1 weight  0.10000E+01 volume  0.91900E-03 ppm1      4.537 ppm2      3.813 CV     1
 ASSI { 2580}
   (  segid " 1SG" and resid 59   and name HD1%)
   (( segid " 1SG" and resid 41   and name HD1 ))
      3.000     1.200     1.200 peak  2580 spectrum    1 weight  0.10000E+01 volume  0.89836E-03 ppm1      0.866 ppm2      7.141 CV     1
 ASSI { 2591}
   (( segid " 1SG" and resid 43   and name HA  ))
   (( segid " 1SG" and resid 43   and name HG2 ))
      3.400     1.400     1.400 peak  2591 spectrum    1 weight  0.10000E+01 volume  0.89114E-03 ppm1      4.134 ppm2      0.081 CV     1
 ASSI { 2595}
   (( segid " 1SG" and resid 108  and name HA  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.300     1.300     1.300 peak  2595 spectrum    1 weight  0.10000E+01 volume  0.88972E-03 ppm1      4.150 ppm2      0.398 CV     1
 ASSI { 2607}
   (  segid " 1SG" and resid 104  and name HD2%)
   (( segid " 1SG" and resid 104  and name HA  ))
      3.500     1.500     1.500 peak  2607 spectrum    1 weight  0.10000E+01 volume  0.88096E-03 ppm1      0.833 ppm2      5.446 CV     1
 ASSI {   29}
   (  segid " 1SG" and resid 97   and name HD% )
   (  segid " 1SG" and resid 97   and name HE% )
      2.100     0.500     0.500 peak    29 spectrum    1 weight  0.10000E+01 volume  0.74440E-02 ppm1      7.085 ppm2      7.264 CV     1
 ASSI {   35}
   (  segid " 1SG" and resid 42   and name HE% )
   (( segid " 1SG" and resid 42   and name HZ  ))
      2.200     0.600     0.600 peak    35 spectrum    1 weight  0.10000E+01 volume  0.64131E-02 ppm1      7.079 ppm2      7.178 CV     1
 ASSI {   46}
   (  segid " 1SG" and resid 70   and name HD% )
   (( segid " 1SG" and resid 70   and name HB2 ))
      2.100     0.500     0.500 peak    46 spectrum    1 weight  0.10000E+01 volume  0.67645E-02 ppm1      7.029 ppm2      2.797 CV     1
 ASSI {   51}
   (  segid " 1SG" and resid 87   and name HD% )
   (  segid " 1SG" and resid 76   and name HD1%)
      2.300     2.300     3.700 peak    51 spectrum    1 weight  0.10000E+01 volume  0.67645E-02 ppm1      6.766 ppm2      0.633 CV     1
 ASSI {   53}
   (  segid " 1SG" and resid 42   and name HD% )
   (  segid " 1SG" and resid 42   and name HE% )
      2.400     0.700     0.700 peak    53 spectrum    1 weight  0.10000E+01 volume  0.33222E-02 ppm1      6.664 ppm2      7.098 CV     1
 ASSI {   62}
   (  segid " 1SG" and resid 87   and name HE% )
   (  segid " 1SG" and resid 104  and name HD1%)
      2.400     2.400     3.600 peak    62 spectrum    1 weight  0.10000E+01 volume  0.67645E-02 ppm1      6.552 ppm2      0.945 CV     1
 ASSI {   63}
   (  segid " 1SG" and resid 87   and name HE% )
   (( segid " 1SG" and resid 57   and name HG  ))
      2.200     2.200     3.800 peak    63 spectrum    1 weight  0.10000E+01 volume  0.67645E-02 ppm1      6.553 ppm2      0.751 CV     1
 ASSI {   77}
   (  segid " 1SG" and resid 63   and name HE% )
   (  segid " 1SG" and resid 63   and name HD% )
      2.600     0.900     0.900 peak    77 spectrum    1 weight  0.10000E+01 volume  0.18860E-02 ppm1      6.071 ppm2      5.874 CV     1
 ASSI {   87}
   (( segid " 1SG" and resid 46   and name HH2 ))
   (( segid " 1SG" and resid 46   and name HZ2 ))
      2.800     1.000     1.000 peak    87 spectrum    1 weight  0.10000E+01 volume  0.15933E-02 ppm1      7.111 ppm2      7.374 CV     1
 ASSI {  104}
   (( segid " 1SG" and resid 46   and name HD1 ))
   (( segid " 1SG" and resid 46   and name HB2 ))
      2.100     2.100     3.900 peak   104 spectrum    1 weight  0.10000E+01 volume  0.67645E-02 ppm1      7.109 ppm2      3.051 CV     1
 ASSI {  109}
   (  segid " 1SG" and resid 87   and name HD% )
   (  segid " 1SG" and resid 87   and name HE% )
      2.700     0.900     0.900 peak   109 spectrum    1 weight  0.10000E+01 volume  0.12065E-02 ppm1      6.767 ppm2      6.573 CV     1
 ASSI {  120}
   (  segid " 1SG" and resid 102  and name HD% )
   (  segid " 1SG" and resid 102  and name HE% )
      2.100     0.500     0.500 peak   120 spectrum    1 weight  0.10000E+01 volume  0.67645E-02 ppm1      6.778 ppm2      7.092 CV     1
 ASSI {  125}
   (( segid " 1SG" and resid 56   and name HE1 ))
   (( segid " 1SG" and resid 57   and name HG  ))
      3.100     1.200     1.200 peak   125 spectrum    1 weight  0.10000E+01 volume  0.10221E-02 ppm1      7.630 ppm2      0.738 CV     1
 ASSI {  168}
   (  segid " 1SG" and resid 83   and name HD% )
   (( segid " 1SG" and resid 80   and name HN  ))
      2.100     0.500     0.500 peak   168 spectrum    1 weight  0.10000E+01 volume  0.67645E-02 ppm1      7.090 ppm2      5.565 CV     1
 ASSI {  180}
   (( segid " 1SG" and resid 75   and name HE1 ))
   (( segid " 1SG" and resid 75   and name HB2 ))
      2.200     2.200     3.800 peak   180 spectrum    1 weight  0.10000E+01 volume  0.66471E-02 ppm1      8.255 ppm2      2.876 CV     1
 OR {  180}
   (( segid " 1SG" and resid 75   and name HE1 ))
   (( segid " 1SG" and resid 75   and name HB1 ))
 ASSI {  187}
   (  segid " 1SG" and resid 24   and name HD% )
   (  segid " 1SG" and resid 24   and name HE% )
      2.100     0.500     0.500 peak   187 spectrum    1 weight  0.10000E+01 volume  0.66471E-02 ppm1      6.951 ppm2      7.189 CV     1
 ASSI {  190}
   (  segid " 1SG" and resid 83   and name HD% )
   (  segid " 1SG" and resid 83   and name HE% )
      2.100     0.500     0.500 peak   190 spectrum    1 weight  0.10000E+01 volume  0.66749E-02 ppm1      7.090 ppm2      7.269 CV     1
 ASSI {  192}
   (  segid " 1SG" and resid 63   and name HE% )
   (( segid " 1SG" and resid 65   and name HG1 ))
      2.200     0.600     0.600 peak   192 spectrum    1 weight  0.10000E+01 volume  0.66742E-02 ppm1      6.071 ppm2      1.670 CV     1
 OR {  192}
   (  segid " 1SG" and resid 63   and name HE% )
   (( segid " 1SG" and resid 65   and name HG2 ))
 ASSI {  195}
   (( segid " 1SG" and resid 41   and name HZ2 ))
   (( segid " 1SG" and resid 41   and name HH2 ))
      2.100     0.500     0.500 peak   195 spectrum    1 weight  0.10000E+01 volume  0.66742E-02 ppm1      7.080 ppm2      6.606 CV     1
 ASSI {    7}
   (( segid " 1SG" and resid 12   and name HE22))
   (( segid " 1SG" and resid 12   and name HE21))
      1.400     0.300     0.800 peak     7 spectrum    1 weight  0.10000E+01 volume  0.58605E-01 ppm1      6.922 ppm2      7.453 CV     1
 ASSI {   15}
   (( segid " 1SG" and resid 103  and name HD21))
   (( segid " 1SG" and resid 103  and name HD22))
      1.600     0.300     0.600 peak    15 spectrum    1 weight  0.10000E+01 volume  0.28714E-01 ppm1      7.722 ppm2      6.746 CV     1
 ASSI {   22}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 58   and name HE22))
      1.600     0.300     0.600 peak    22 spectrum    1 weight  0.10000E+01 volume  0.22627E-01 ppm1      7.438 ppm2      6.684 CV     1
 ASSI {   38}
   (( segid " 1SG" and resid 80   and name HE21))
   (( segid " 1SG" and resid 80   and name HE22))
      1.800     0.400     0.400 peak    38 spectrum    1 weight  0.10000E+01 volume  0.16967E-01 ppm1      6.985 ppm2      6.648 CV     1
 ASSI {   41}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 107  and name HA  ))
      2.000     0.500     0.500 peak    41 spectrum    1 weight  0.10000E+01 volume  0.16344E-01 ppm1      8.564 ppm2      4.843 CV     1
 ASSI {   51}
   (( segid " 1SG" and resid 66   and name HN  ))
   (  segid " 1SG" and resid 66   and name HB% )
      2.200     0.600     0.600 peak    51 spectrum    1 weight  0.10000E+01 volume  0.14614E-01 ppm1      8.106 ppm2      1.408 CV     1
 ASSI {   59}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 46   and name HD1 ))
      2.200     0.600     0.600 peak    59 spectrum    1 weight  0.10000E+01 volume  0.12782E-01 ppm1     10.116 ppm2      7.133 CV     1
 ASSI {   60}
   (( segid " 1SG" and resid 61   and name HN  ))
   (( segid " 1SG" and resid 60   and name HA  ))
      2.100     0.600     0.600 peak    60 spectrum    1 weight  0.10000E+01 volume  0.12555E-01 ppm1      8.180 ppm2      5.068 CV     1
 ASSI {   62}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 38   and name HA  ))
      2.100     0.500     0.500 peak    62 spectrum    1 weight  0.10000E+01 volume  0.12395E-01 ppm1      7.892 ppm2      3.893 CV     1
 ASSI {   64}
   (( segid " 1SG" and resid 17   and name HN  ))
   (( segid " 1SG" and resid 16   and name HA  ))
      2.100     0.600     0.600 peak    64 spectrum    1 weight  0.10000E+01 volume  0.12116E-01 ppm1      7.900 ppm2      4.580 CV     1
 ASSI {   67}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (( segid " 1SG" and resid 41   and name HD1 ))
      2.200     0.600     0.600 peak    67 spectrum    1 weight  0.10000E+01 volume  0.11646E-01 ppm1     10.780 ppm2      7.129 CV     1
 ASSI {   72}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 12   and name HA  ))
      2.200     0.600     0.600 peak    72 spectrum    1 weight  0.10000E+01 volume  0.10642E-01 ppm1      8.312 ppm2      4.679 CV     1
 ASSI {   80}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 95   and name HA  ))
      2.300     0.600     0.600 peak    80 spectrum    1 weight  0.10000E+01 volume  0.10005E-01 ppm1      7.969 ppm2      4.735 CV     1
 ASSI {   81}
   (( segid " 1SG" and resid 53   and name HN  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      2.200     0.600     0.600 peak    81 spectrum    1 weight  0.10000E+01 volume  0.98504E-02 ppm1      6.764 ppm2      1.067 CV     1
 ASSI {   84}
   (( segid " 1SG" and resid 21   and name HN  ))
   (( segid " 1SG" and resid 20   and name HA1 ))
      2.100     0.600     0.600 peak    84 spectrum    1 weight  0.10000E+01 volume  0.92374E-02 ppm1      8.170 ppm2      3.727 CV     1
 ASSI {   85}
   (( segid " 1SG" and resid 79   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      2.200     0.600     0.600 peak    85 spectrum    1 weight  0.10000E+01 volume  0.91996E-02 ppm1      8.974 ppm2      1.174 CV     1
 ASSI {   88}
   (( segid " 1SG" and resid 18   and name HN  ))
   (( segid " 1SG" and resid 17   and name HA  ))
      2.100     0.600     0.600 peak    88 spectrum    1 weight  0.10000E+01 volume  0.90478E-02 ppm1      8.005 ppm2      4.728 CV     1
 ASSI {   95}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 53   and name HA  ))
      2.200     0.600     0.600 peak    95 spectrum    1 weight  0.10000E+01 volume  0.84077E-02 ppm1      9.019 ppm2      4.049 CV     1
 ASSI {  102}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 93   and name HA  ))
      2.600     2.600     3.400 peak   102 spectrum    1 weight  0.10000E+01 volume  0.82153E-02 ppm1      7.511 ppm2      4.762 CV     1
 ASSI {  112}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 58   and name HA  ))
      2.100     0.600     0.600 peak   112 spectrum    1 weight  0.10000E+01 volume  0.77263E-02 ppm1      8.381 ppm2      4.632 CV     1
 ASSI {  114}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 64   and name HA  ))
      2.200     0.600     0.600 peak   114 spectrum    1 weight  0.10000E+01 volume  0.75268E-02 ppm1      8.306 ppm2      4.576 CV     1
 ASSI {  116}
   (( segid " 1SG" and resid 48   and name HN  ))
   (( segid " 1SG" and resid 47   and name HA  ))
      2.300     0.700     0.700 peak   116 spectrum    1 weight  0.10000E+01 volume  0.74027E-02 ppm1      8.397 ppm2      4.057 CV     1
 ASSI {  117}
   (( segid " 1SG" and resid 21   and name HN  ))
   (( segid " 1SG" and resid 20   and name HA2 ))
      2.900     1.100     1.100 peak   117 spectrum    1 weight  0.10000E+01 volume  0.74013E-02 ppm1      8.169 ppm2      4.378 CV     1
 ASSI {  120}
   (( segid " 1SG" and resid 23   and name HN  ))
   (( segid " 1SG" and resid 22   and name HA  ))
      2.300     0.600     0.600 peak   120 spectrum    1 weight  0.10000E+01 volume  0.73429E-02 ppm1      7.914 ppm2      4.342 CV     1
 ASSI {  122}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 59   and name HA  ))
      2.200     0.600     0.600 peak   122 spectrum    1 weight  0.10000E+01 volume  0.73015E-02 ppm1      8.687 ppm2      5.184 CV     1
 ASSI {  123}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 21   and name HA  ))
      2.100     0.600     0.600 peak   123 spectrum    1 weight  0.10000E+01 volume  0.72466E-02 ppm1      8.888 ppm2      5.491 CV     1
 ASSI {  125}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 57   and name HA  ))
      2.000     0.500     0.500 peak   125 spectrum    1 weight  0.10000E+01 volume  0.72010E-02 ppm1      8.940 ppm2      5.399 CV     1
 ASSI {  126}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 61   and name HA  ))
      2.100     0.600     0.600 peak   126 spectrum    1 weight  0.10000E+01 volume  0.71818E-02 ppm1      8.849 ppm2      5.560 CV     1
 ASSI {  128}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 53   and name HB  ))
      2.300     0.700     0.700 peak   128 spectrum    1 weight  0.10000E+01 volume  0.71125E-02 ppm1      6.764 ppm2      2.128 CV     1
 ASSI {  130}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 4    and name HB  ))
      2.200     0.600     0.600 peak   130 spectrum    1 weight  0.10000E+01 volume  0.70215E-02 ppm1      8.264 ppm2      2.024 CV     1
 ASSI {  133}
   (( segid " 1SG" and resid 77   and name HN  ))
   (( segid " 1SG" and resid 76   and name HA  ))
      2.200     0.600     0.600 peak   133 spectrum    1 weight  0.10000E+01 volume  0.68901E-02 ppm1      8.717 ppm2      4.983 CV     1
 ASSI {  135}
   (( segid " 1SG" and resid 85   and name HN  ))
   (( segid " 1SG" and resid 84   and name HA  ))
      2.300     0.700     0.700 peak   135 spectrum    1 weight  0.10000E+01 volume  0.68456E-02 ppm1      9.407 ppm2      4.227 CV     1
 OR {  135}
   (( segid " 1SG" and resid 85   and name HN  ))
   (( segid " 1SG" and resid 84   and name HB  ))
 ASSI {  137}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 66   and name HA  ))
      2.500     0.800     0.800 peak   137 spectrum    1 weight  0.10000E+01 volume  0.68283E-02 ppm1      8.106 ppm2      4.123 CV     1
 ASSI {  140}
   (( segid " 1SG" and resid 29   and name HN  ))
   (  segid " 1SG" and resid 29   and name HB% )
      2.400     0.700     0.700 peak   140 spectrum    1 weight  0.10000E+01 volume  0.66235E-02 ppm1      8.854 ppm2      1.508 CV     1
 ASSI {  142}
   (( segid " 1SG" and resid 47   and name HN  ))
   (  segid " 1SG" and resid 47   and name HG1%)
      2.800     1.000     1.000 peak   142 spectrum    1 weight  0.10000E+01 volume  0.65971E-02 ppm1      7.291 ppm2      0.977 CV     1
 ASSI {  145}
   (( segid " 1SG" and resid 18   and name HN  ))
   (  segid " 1SG" and resid 18   and name HG2%)
      2.200     0.600     0.600 peak   145 spectrum    1 weight  0.10000E+01 volume  0.65382E-02 ppm1      8.005 ppm2      0.939 CV     1
 ASSI {  147}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 96   and name HA  ))
      2.300     0.700     0.700 peak   147 spectrum    1 weight  0.10000E+01 volume  0.65037E-02 ppm1      8.065 ppm2      4.772 CV     1
 ASSI {  148}
   (( segid " 1SG" and resid 12   and name HE21))
   (( segid " 1SG" and resid 12   and name HG2 ))
      2.400     0.700     0.700 peak   148 spectrum    1 weight  0.10000E+01 volume  0.64794E-02 ppm1      7.451 ppm2      2.471 CV     1
 OR {  148}
   (( segid " 1SG" and resid 12   and name HE21))
   (( segid " 1SG" and resid 12   and name HG1 ))
 ASSI {  150}
   (( segid " 1SG" and resid 101  and name HD22))
   (( segid " 1SG" and resid 12   and name HE21))
      2.100     2.100     3.900 peak   150 spectrum    1 weight  0.10000E+01 volume  0.64405E-02 ppm1      6.723 ppm2      7.459 CV     1
 ASSI {  152}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 108  and name HB2 ))
      2.400     0.700     0.700 peak   152 spectrum    1 weight  0.10000E+01 volume  0.64137E-02 ppm1      8.564 ppm2      1.911 CV     1
 ASSI {  155}
   (( segid " 1SG" and resid 19   and name HN  ))
   (( segid " 1SG" and resid 18   and name HA  ))
      2.100     0.500     0.500 peak   155 spectrum    1 weight  0.10000E+01 volume  0.62781E-02 ppm1      9.827 ppm2      3.479 CV     1
 ASSI {  156}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 14   and name HA2 ))
      2.200     0.600     0.600 peak   156 spectrum    1 weight  0.10000E+01 volume  0.62409E-02 ppm1      8.504 ppm2      4.931 CV     1
 ASSI {  159}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 78   and name HA  ))
      2.200     0.600     0.600 peak   159 spectrum    1 weight  0.10000E+01 volume  0.61438E-02 ppm1      8.974 ppm2      4.103 CV     1
 ASSI {  160}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 39   and name HA  ))
      2.200     0.600     0.600 peak   160 spectrum    1 weight  0.10000E+01 volume  0.59982E-02 ppm1      8.694 ppm2      4.799 CV     1
 ASSI {  161}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 37   and name HA  ))
      2.200     0.600     0.600 peak   161 spectrum    1 weight  0.10000E+01 volume  0.59574E-02 ppm1      8.374 ppm2      4.490 CV     1
 ASSI {  164}
   (( segid " 1SG" and resid 29   and name HN  ))
   (( segid " 1SG" and resid 28   and name HA  ))
      2.200     0.600     0.600 peak   164 spectrum    1 weight  0.10000E+01 volume  0.58975E-02 ppm1      8.854 ppm2      4.898 CV     1
 ASSI {  166}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 1    and name HA  ))
      2.300     0.700     0.700 peak   166 spectrum    1 weight  0.10000E+01 volume  0.58062E-02 ppm1      8.116 ppm2      4.614 CV     1
 ASSI {  167}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 24   and name HA  ))
      2.500     0.800     0.800 peak   167 spectrum    1 weight  0.10000E+01 volume  0.57610E-02 ppm1      8.399 ppm2      4.620 CV     1
 ASSI {  169}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 40   and name HA  ))
      2.200     0.600     0.600 peak   169 spectrum    1 weight  0.10000E+01 volume  0.57412E-02 ppm1      9.308 ppm2      4.547 CV     1
 ASSI {  170}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 107  and name HB1 ))
      3.200     1.200     1.200 peak   170 spectrum    1 weight  0.10000E+01 volume  0.57022E-02 ppm1      8.564 ppm2      3.074 CV     1
 OR {  170}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 107  and name HB2 ))
 ASSI {  175}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 23   and name HA  ))
      2.300     0.700     0.700 peak   175 spectrum    1 weight  0.10000E+01 volume  0.55894E-02 ppm1      9.240 ppm2      5.100 CV     1
 ASSI {  176}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 91   and name HA  ))
      2.300     0.700     0.700 peak   176 spectrum    1 weight  0.10000E+01 volume  0.55493E-02 ppm1      8.734 ppm2      4.747 CV     1
 ASSI {  177}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 78   and name HA  ))
      2.200     0.600     0.600 peak   177 spectrum    1 weight  0.10000E+01 volume  0.54541E-02 ppm1      8.053 ppm2      4.102 CV     1
 ASSI {  179}
   (( segid " 1SG" and resid 67   and name HN  ))
   (  segid " 1SG" and resid 66   and name HB% )
      2.700     0.900     0.900 peak   179 spectrum    1 weight  0.10000E+01 volume  0.54462E-02 ppm1      7.421 ppm2      1.408 CV     1
 ASSI {  180}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 3    and name HA  ))
      2.400     0.700     0.700 peak   180 spectrum    1 weight  0.10000E+01 volume  0.53959E-02 ppm1      8.264 ppm2      4.443 CV     1
 ASSI {  181}
   (( segid " 1SG" and resid 101  and name HD21))
   (( segid " 1SG" and resid 101  and name HD22))
      2.100     0.600     0.600 peak   181 spectrum    1 weight  0.10000E+01 volume  0.53808E-02 ppm1      7.438 ppm2      6.719 CV     1
 ASSI {  184}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 108  and name HA  ))
      2.500     0.800     0.800 peak   184 spectrum    1 weight  0.10000E+01 volume  0.52672E-02 ppm1      8.564 ppm2      4.141 CV     1
 ASSI {  186}
   (( segid " 1SG" and resid 30   and name HN  ))
   (( segid " 1SG" and resid 29   and name HA  ))
      2.200     0.600     0.600 peak   186 spectrum    1 weight  0.10000E+01 volume  0.52196E-02 ppm1      8.591 ppm2      4.384 CV     1
 ASSI {  189}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 77   and name HA  ))
      2.100     0.600     0.600 peak   189 spectrum    1 weight  0.10000E+01 volume  0.51143E-02 ppm1      8.053 ppm2      4.655 CV     1
 ASSI {  191}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 20   and name HA1 ))
      2.400     0.700     0.700 peak   191 spectrum    1 weight  0.10000E+01 volume  0.50342E-02 ppm1      8.825 ppm2      3.727 CV     1
 ASSI {  192}
   (( segid " 1SG" and resid 68   and name HN  ))
   (( segid " 1SG" and resid 68   and name HA  ))
      2.300     0.700     0.700 peak   192 spectrum    1 weight  0.10000E+01 volume  0.50092E-02 ppm1      7.877 ppm2      3.593 CV     1
 ASSI {  193}
   (( segid " 1SG" and resid 17   and name HN  ))
   (( segid " 1SG" and resid 17   and name HB  ))
      2.600     0.800     0.800 peak   193 spectrum    1 weight  0.10000E+01 volume  0.49957E-02 ppm1      7.899 ppm2      4.062 CV     1
 ASSI {  194}
   (( segid " 1SG" and resid 69   and name HN  ))
   (  segid " 1SG" and resid 69   and name HG2%)
      2.700     0.900     0.900 peak   194 spectrum    1 weight  0.10000E+01 volume  0.49883E-02 ppm1      6.899 ppm2      0.850 CV     1
 OR {  194}
   (( segid " 1SG" and resid 69   and name HN  ))
   (  segid " 1SG" and resid 69   and name HG1%)
 ASSI {  197}
   (( segid " 1SG" and resid 39   and name HN  ))
   (  segid " 1SG" and resid 38   and name HG2%)
      3.400     1.500     1.500 peak   197 spectrum    1 weight  0.10000E+01 volume  0.49367E-02 ppm1      7.892 ppm2      0.789 CV     1
 ASSI {  198}
   (( segid " 1SG" and resid 63   and name HN  ))
   (( segid " 1SG" and resid 62   and name HA  ))
      2.500     0.800     0.800 peak   198 spectrum    1 weight  0.10000E+01 volume  0.48971E-02 ppm1      8.517 ppm2      4.602 CV     1
 ASSI {  199}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 13   and name HA  ))
      2.800     1.000     1.000 peak   199 spectrum    1 weight  0.10000E+01 volume  0.48801E-02 ppm1      9.183 ppm2      5.338 CV     1
 ASSI {  200}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 72   and name HA  ))
      2.300     0.700     0.700 peak   200 spectrum    1 weight  0.10000E+01 volume  0.48564E-02 ppm1      9.450 ppm2      5.366 CV     1
 ASSI {  201}
   (( segid " 1SG" and resid 12   and name HN  ))
   (( segid " 1SG" and resid 11   and name HA  ))
      2.400     0.700     0.700 peak   201 spectrum    1 weight  0.10000E+01 volume  0.48521E-02 ppm1      8.345 ppm2      4.804 CV     1
 ASSI {  202}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 46   and name HZ2 ))
      2.700     0.900     0.900 peak   202 spectrum    1 weight  0.10000E+01 volume  0.48481E-02 ppm1     10.116 ppm2      7.380 CV     1
 ASSI {  203}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 52   and name HN  ))
      2.500     0.800     0.800 peak   203 spectrum    1 weight  0.10000E+01 volume  0.48253E-02 ppm1      6.764 ppm2      7.787 CV     1
 ASSI {  204}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 20   and name HA2 ))
      2.900     1.000     1.000 peak   204 spectrum    1 weight  0.10000E+01 volume  0.48060E-02 ppm1      8.825 ppm2      4.373 CV     1
 ASSI {  206}
   (( segid " 1SG" and resid 26   and name HN  ))
   (( segid " 1SG" and resid 25   and name HA  ))
      2.300     0.700     0.700 peak   206 spectrum    1 weight  0.10000E+01 volume  0.47150E-02 ppm1      9.497 ppm2      5.685 CV     1
 ASSI {  208}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 105  and name HA  ))
      2.300     0.700     0.700 peak   208 spectrum    1 weight  0.10000E+01 volume  0.46961E-02 ppm1      8.151 ppm2      4.533 CV     1
 ASSI {  211}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 14   and name HA1 ))
      3.100     1.200     1.200 peak   211 spectrum    1 weight  0.10000E+01 volume  0.46687E-02 ppm1      8.504 ppm2      3.743 CV     1
 ASSI {  212}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HB2 ))
      2.500     0.800     0.800 peak   212 spectrum    1 weight  0.10000E+01 volume  0.46645E-02 ppm1      8.305 ppm2      1.753 CV     1
 OR {  212}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HB1 ))
 ASSI {  216}
   (( segid " 1SG" and resid 12   and name HE22))
   (( segid " 1SG" and resid 12   and name HG2 ))
      3.200     1.300     1.300 peak   216 spectrum    1 weight  0.10000E+01 volume  0.46242E-02 ppm1      6.922 ppm2      2.472 CV     1
 OR {  216}
   (( segid " 1SG" and resid 12   and name HE22))
   (( segid " 1SG" and resid 12   and name HG1 ))
 ASSI {  218}
   (( segid " 1SG" and resid 16   and name HN  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      2.700     0.900     0.900 peak   218 spectrum    1 weight  0.10000E+01 volume  0.46012E-02 ppm1      8.593 ppm2      0.602 CV     1
 ASSI {  219}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 67   and name HN  ))
      2.300     0.700     0.700 peak   219 spectrum    1 weight  0.10000E+01 volume  0.45867E-02 ppm1      8.106 ppm2      7.421 CV     1
 ASSI {  220}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 2    and name HB2 ))
      2.600     0.800     0.800 peak   220 spectrum    1 weight  0.10000E+01 volume  0.45354E-02 ppm1      8.116 ppm2      2.658 CV     1
 ASSI {  221}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 39   and name HB  ))
      2.600     0.800     0.800 peak   221 spectrum    1 weight  0.10000E+01 volume  0.44613E-02 ppm1      7.890 ppm2      0.582 CV     1
 ASSI {  222}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 35   and name HA  ))
      2.500     0.800     0.800 peak   222 spectrum    1 weight  0.10000E+01 volume  0.44278E-02 ppm1      7.511 ppm2      4.664 CV     1
 ASSI {  223}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 74   and name HA  ))
      2.300     0.600     0.600 peak   223 spectrum    1 weight  0.10000E+01 volume  0.44211E-02 ppm1      9.151 ppm2      4.330 CV     1
 ASSI {  228}
   (( segid " 1SG" and resid 15   and name HN  ))
   (  segid " 1SG" and resid 22   and name HD1%)
      3.400     1.400     1.400 peak   228 spectrum    1 weight  0.10000E+01 volume  0.42972E-02 ppm1      8.505 ppm2      0.527 CV     1
 ASSI {  229}
   (( segid " 1SG" and resid 85   and name HN  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      2.900     1.100     1.100 peak   229 spectrum    1 weight  0.10000E+01 volume  0.42843E-02 ppm1      9.407 ppm2      1.494 CV     1
 ASSI {  230}
   (( segid " 1SG" and resid 22   and name HN  ))
   (  segid " 1SG" and resid 22   and name HG2%)
      2.500     0.800     0.800 peak   230 spectrum    1 weight  0.10000E+01 volume  0.42596E-02 ppm1      8.888 ppm2      0.583 CV     1
 ASSI {  231}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 68   and name HN  ))
      2.100     0.600     0.600 peak   231 spectrum    1 weight  0.10000E+01 volume  0.42370E-02 ppm1      7.422 ppm2      7.877 CV     1
 ASSI {  232}
   (( segid " 1SG" and resid 38   and name HN  ))
   (  segid " 1SG" and resid 38   and name HG1%)
      3.300     1.300     1.300 peak   232 spectrum    1 weight  0.10000E+01 volume  0.42324E-02 ppm1      8.373 ppm2      0.842 CV     1
 ASSI {  235}
   (( segid " 1SG" and resid 18   and name HN  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      2.600     0.900     0.900 peak   235 spectrum    1 weight  0.10000E+01 volume  0.41731E-02 ppm1      8.004 ppm2      1.281 CV     1
 ASSI {  236}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 108  and name HG2 ))
      3.500     1.600     1.600 peak   236 spectrum    1 weight  0.10000E+01 volume  0.41656E-02 ppm1      8.564 ppm2      2.233 CV     1
 OR {  236}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 108  and name HG1 ))
 ASSI {  240}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 26   and name HA  ))
      2.500     0.800     0.800 peak   240 spectrum    1 weight  0.10000E+01 volume  0.40680E-02 ppm1      8.891 ppm2      4.916 CV     1
 ASSI {  243}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 47   and name HB  ))
      2.500     0.800     0.800 peak   243 spectrum    1 weight  0.10000E+01 volume  0.40206E-02 ppm1      7.291 ppm2      2.508 CV     1
 ASSI {  244}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 13   and name HB2 ))
      2.700     0.900     0.900 peak   244 spectrum    1 weight  0.10000E+01 volume  0.40145E-02 ppm1      8.312 ppm2      2.683 CV     1
 ASSI {  245}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      2.900     1.000     1.000 peak   245 spectrum    1 weight  0.10000E+01 volume  0.39901E-02 ppm1      7.198 ppm2      1.453 CV     1
 ASSI {  246}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 103  and name HA  ))
      2.400     0.700     0.700 peak   246 spectrum    1 weight  0.10000E+01 volume  0.39894E-02 ppm1      8.793 ppm2      5.542 CV     1
 ASSI {  247}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 98   and name HA  ))
      2.700     0.900     0.900 peak   247 spectrum    1 weight  0.10000E+01 volume  0.39884E-02 ppm1      9.228 ppm2      4.702 CV     1
 ASSI {  248}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 38   and name HB  ))
      2.700     0.900     0.900 peak   248 spectrum    1 weight  0.10000E+01 volume  0.39818E-02 ppm1      8.373 ppm2      1.890 CV     1
 ASSI {  250}
   (( segid " 1SG" and resid 70   and name HN  ))
   (( segid " 1SG" and resid 69   and name HA  ))
      2.300     0.700     0.700 peak   250 spectrum    1 weight  0.10000E+01 volume  0.39093E-02 ppm1      9.273 ppm2      4.579 CV     1
 ASSI {  251}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 84   and name HN  ))
      2.400     0.700     0.700 peak   251 spectrum    1 weight  0.10000E+01 volume  0.39027E-02 ppm1      8.255 ppm2      7.866 CV     1
 ASSI {  253}
   (( segid " 1SG" and resid 10   and name HN  ))
   (( segid " 1SG" and resid 9    and name HA  ))
      2.600     0.800     0.800 peak   253 spectrum    1 weight  0.10000E+01 volume  0.38585E-02 ppm1      8.853 ppm2      4.646 CV     1
 ASSI {  256}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 102  and name HA  ))
      2.600     0.800     0.800 peak   256 spectrum    1 weight  0.10000E+01 volume  0.38307E-02 ppm1      9.243 ppm2      4.989 CV     1
 ASSI {  259}
   (( segid " 1SG" and resid 23   and name HN  ))
   (( segid " 1SG" and resid 23   and name HB  ))
      2.700     0.900     0.900 peak   259 spectrum    1 weight  0.10000E+01 volume  0.37471E-02 ppm1      7.914 ppm2      3.583 CV     1
 ASSI {  265}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 35   and name HG2 ))
      2.500     0.800     0.800 peak   265 spectrum    1 weight  0.10000E+01 volume  0.36287E-02 ppm1      7.511 ppm2      1.348 CV     1
 OR {  265}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 35   and name HG1 ))
 ASSI {  266}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 79   and name HA  ))
      2.600     0.900     0.900 peak   266 spectrum    1 weight  0.10000E+01 volume  0.35853E-02 ppm1      8.973 ppm2      3.661 CV     1
 ASSI {  267}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HG2 ))
      3.000     1.100     1.100 peak   267 spectrum    1 weight  0.10000E+01 volume  0.35734E-02 ppm1      8.306 ppm2      1.685 CV     1
 OR {  267}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HG1 ))
 ASSI {  268}
   (( segid " 1SG" and resid 72   and name HN  ))
   (( segid " 1SG" and resid 71   and name HA  ))
      2.200     0.600     0.600 peak   268 spectrum    1 weight  0.10000E+01 volume  0.35600E-02 ppm1      9.295 ppm2      5.062 CV     1
 ASSI {  269}
   (( segid " 1SG" and resid 17   and name HN  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      3.200     1.200     1.200 peak   269 spectrum    1 weight  0.10000E+01 volume  0.35540E-02 ppm1      7.900 ppm2      1.280 CV     1
 ASSI {  270}
   (( segid " 1SG" and resid 29   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG2%)
      2.700     0.900     0.900 peak   270 spectrum    1 weight  0.10000E+01 volume  0.35426E-02 ppm1      8.855 ppm2      0.945 CV     1
 OR {  270}
   (( segid " 1SG" and resid 29   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG1%)
 ASSI {  271}
   (( segid " 1SG" and resid 94   and name HN  ))
   (( segid " 1SG" and resid 93   and name HA  ))
      2.600     0.800     0.800 peak   271 spectrum    1 weight  0.10000E+01 volume  0.35384E-02 ppm1      8.339 ppm2      4.764 CV     1
 ASSI {  272}
   (( segid " 1SG" and resid 93   and name HN  ))
   (( segid " 1SG" and resid 92   and name HB2 ))
      3.400     1.400     1.400 peak   272 spectrum    1 weight  0.10000E+01 volume  0.35267E-02 ppm1      8.558 ppm2      3.937 CV     1
 OR {  272}
   (( segid " 1SG" and resid 93   and name HN  ))
   (( segid " 1SG" and resid 92   and name HB1 ))
 ASSI {  273}
   (( segid " 1SG" and resid 77   and name HN  ))
   (  segid " 1SG" and resid 76   and name HG2%)
      3.100     1.200     1.200 peak   273 spectrum    1 weight  0.10000E+01 volume  0.34523E-02 ppm1      8.717 ppm2      0.785 CV     1
 ASSI {  274}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 95   and name HN  ))
      2.200     0.600     0.600 peak   274 spectrum    1 weight  0.10000E+01 volume  0.34369E-02 ppm1      7.549 ppm2      7.973 CV     1
 ASSI {  275}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB1 ))
      2.500     0.800     0.800 peak   275 spectrum    1 weight  0.10000E+01 volume  0.34250E-02 ppm1      8.381 ppm2      1.692 CV     1
 OR {  275}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB2 ))
 ASSI {  276}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 96   and name HB2 ))
      3.400     3.400     2.600 peak   276 spectrum    1 weight  0.10000E+01 volume  0.34024E-02 ppm1      8.263 ppm2      1.571 CV     1
 ASSI {  278}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 5    and name HN  ))
      2.700     0.900     0.900 peak   278 spectrum    1 weight  0.10000E+01 volume  0.33868E-02 ppm1      8.263 ppm2      8.143 CV     1
 ASSI {  279}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 68   and name HN  ))
      2.600     0.800     0.800 peak   279 spectrum    1 weight  0.10000E+01 volume  0.33773E-02 ppm1      6.899 ppm2      7.876 CV     1
 ASSI {  281}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 104  and name HA  ))
      2.500     0.800     0.800 peak   281 spectrum    1 weight  0.10000E+01 volume  0.33690E-02 ppm1      8.399 ppm2      5.431 CV     1
 ASSI {  285}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 4    and name HA  ))
      2.800     1.000     1.000 peak   285 spectrum    1 weight  0.10000E+01 volume  0.33451E-02 ppm1      8.264 ppm2      4.015 CV     1
 ASSI {  287}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 78   and name HN  ))
      3.200     1.300     1.300 peak   287 spectrum    1 weight  0.10000E+01 volume  0.32852E-02 ppm1      8.974 ppm2      8.055 CV     1
 ASSI {  288}
   (( segid " 1SG" and resid 86   and name HN  ))
   (( segid " 1SG" and resid 85   and name HA2 ))
      3.000     1.100     1.100 peak   288 spectrum    1 weight  0.10000E+01 volume  0.32818E-02 ppm1      7.948 ppm2      4.508 CV     1
 ASSI {  290}
   (( segid " 1SG" and resid 48   and name HN  ))
   (( segid " 1SG" and resid 48   and name HB2 ))
      2.800     1.000     1.000 peak   290 spectrum    1 weight  0.10000E+01 volume  0.32550E-02 ppm1      8.397 ppm2      2.936 CV     1
 ASSI {  291}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 65   and name HB2 ))
      3.100     1.200     1.200 peak   291 spectrum    1 weight  0.10000E+01 volume  0.32527E-02 ppm1      8.106 ppm2      1.756 CV     1
 OR {  291}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 65   and name HB1 ))
 ASSI {  294}
   (( segid " 1SG" and resid 98   and name HN  ))
   (( segid " 1SG" and resid 97   and name HA  ))
      2.700     0.900     0.900 peak   294 spectrum    1 weight  0.10000E+01 volume  0.32098E-02 ppm1      8.417 ppm2      5.247 CV     1
 ASSI {  295}
   (( segid " 1SG" and resid 86   and name HN  ))
   (( segid " 1SG" and resid 85   and name HA1 ))
      2.500     0.800     0.800 peak   295 spectrum    1 weight  0.10000E+01 volume  0.32091E-02 ppm1      7.948 ppm2      3.928 CV     1
 ASSI {  297}
   (( segid " 1SG" and resid 19   and name HN  ))
   (( segid " 1SG" and resid 19   and name HA1 ))
      3.000     1.100     1.100 peak   297 spectrum    1 weight  0.10000E+01 volume  0.31720E-02 ppm1      9.829 ppm2      4.250 CV     1
 ASSI {  298}
   (( segid " 1SG" and resid 19   and name HN  ))
   (  segid " 1SG" and resid 18   and name HG1%)
      3.200     1.300     1.300 peak   298 spectrum    1 weight  0.10000E+01 volume  0.31714E-02 ppm1      9.828 ppm2      0.981 CV     1
 ASSI {  300}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 27   and name HA  ))
      2.500     0.800     0.800 peak   300 spectrum    1 weight  0.10000E+01 volume  0.31223E-02 ppm1      9.673 ppm2      5.831 CV     1
 ASSI {  302}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 53   and name HA  ))
      2.500     0.800     0.800 peak   302 spectrum    1 weight  0.10000E+01 volume  0.31199E-02 ppm1      6.765 ppm2      4.049 CV     1
 ASSI {  303}
   (( segid " 1SG" and resid 84   and name HN  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      3.400     1.500     1.500 peak   303 spectrum    1 weight  0.10000E+01 volume  0.31062E-02 ppm1      7.866 ppm2      1.494 CV     1
 ASSI {  304}
   (( segid " 1SG" and resid 30   and name HN  ))
   (  segid " 1SG" and resid 29   and name HB% )
      3.300     1.400     1.400 peak   304 spectrum    1 weight  0.10000E+01 volume  0.31019E-02 ppm1      8.591 ppm2      1.513 CV     1
 ASSI {  305}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 51   and name HN  ))
      2.600     0.800     0.800 peak   305 spectrum    1 weight  0.10000E+01 volume  0.30920E-02 ppm1      7.784 ppm2      7.881 CV     1
 ASSI {  306}
   (( segid " 1SG" and resid 24   and name HN  ))
   (  segid " 1SG" and resid 23   and name HG2%)
      2.900     1.000     1.000 peak   306 spectrum    1 weight  0.10000E+01 volume  0.30809E-02 ppm1      9.240 ppm2      0.769 CV     1
 ASSI {  307}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 34   and name HA  ))
      2.900     1.100     1.100 peak   307 spectrum    1 weight  0.10000E+01 volume  0.30732E-02 ppm1      7.511 ppm2      4.289 CV     1
 ASSI {  308}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 2    and name HA  ))
      2.700     0.900     0.900 peak   308 spectrum    1 weight  0.10000E+01 volume  0.30713E-02 ppm1      8.115 ppm2      4.899 CV     1
 ASSI {  309}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 68   and name HA  ))
      2.700     0.900     0.900 peak   309 spectrum    1 weight  0.10000E+01 volume  0.30707E-02 ppm1      6.899 ppm2      3.593 CV     1
 ASSI {  310}
   (( segid " 1SG" and resid 90   and name HN  ))
   (( segid " 1SG" and resid 89   and name HA  ))
      2.600     0.900     0.900 peak   310 spectrum    1 weight  0.10000E+01 volume  0.30642E-02 ppm1      9.489 ppm2      4.946 CV     1
 ASSI {  311}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (  segid " 1SG" and resid 39   and name HG1%)
      2.800     1.000     1.000 peak   311 spectrum    1 weight  0.10000E+01 volume  0.30639E-02 ppm1     10.780 ppm2     -0.081 CV     1
 ASSI {  312}
   (( segid " 1SG" and resid 93   and name HN  ))
   (( segid " 1SG" and resid 93   and name HA  ))
      2.700     0.900     0.900 peak   312 spectrum    1 weight  0.10000E+01 volume  0.30502E-02 ppm1      8.558 ppm2      4.778 CV     1
 ASSI {  314}
   (( segid " 1SG" and resid 72   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD1%)
      2.700     0.900     0.900 peak   314 spectrum    1 weight  0.10000E+01 volume  0.30252E-02 ppm1      9.295 ppm2      0.842 CV     1
 ASSI {  315}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 67   and name HA  ))
      2.800     1.000     1.000 peak   315 spectrum    1 weight  0.10000E+01 volume  0.29891E-02 ppm1      7.421 ppm2      4.297 CV     1
 ASSI {  316}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 83   and name HA  ))
      2.800     1.000     1.000 peak   316 spectrum    1 weight  0.10000E+01 volume  0.29812E-02 ppm1      8.255 ppm2      4.603 CV     1
 ASSI {  318}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      3.500     1.500     1.500 peak   318 spectrum    1 weight  0.10000E+01 volume  0.29617E-02 ppm1      8.940 ppm2      1.448 CV     1
 ASSI {  319}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 48   and name HA  ))
      2.500     0.800     0.800 peak   319 spectrum    1 weight  0.10000E+01 volume  0.29600E-02 ppm1      9.288 ppm2      4.192 CV     1
 ASSI {  320}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 58   and name HB1 ))
      3.300     1.400     1.400 peak   320 spectrum    1 weight  0.10000E+01 volume  0.29580E-02 ppm1      7.438 ppm2      2.396 CV     1
 OR {  320}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 58   and name HB2 ))
 ASSI {  321}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 73   and name HA  ))
      2.400     0.700     0.700 peak   321 spectrum    1 weight  0.10000E+01 volume  0.29577E-02 ppm1      8.470 ppm2      5.470 CV     1
 ASSI {  322}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 52   and name HA  ))
      2.800     1.000     1.000 peak   322 spectrum    1 weight  0.10000E+01 volume  0.29569E-02 ppm1      7.785 ppm2      4.613 CV     1
 ASSI {  323}
   (( segid " 1SG" and resid 40   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG1%)
      3.100     1.200     1.200 peak   323 spectrum    1 weight  0.10000E+01 volume  0.29200E-02 ppm1      8.694 ppm2     -0.080 CV     1
 ASSI {  324}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 43   and name HA  ))
      2.500     0.800     0.800 peak   324 spectrum    1 weight  0.10000E+01 volume  0.29184E-02 ppm1      8.211 ppm2      4.128 CV     1
 ASSI {  325}
   (( segid " 1SG" and resid 4    and name HN  ))
   (  segid " 1SG" and resid 4    and name HG2%)
      3.600     1.600     1.600 peak   325 spectrum    1 weight  0.10000E+01 volume  0.29068E-02 ppm1      8.264 ppm2      0.922 CV     1
 ASSI {  326}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 83   and name HB2 ))
      2.400     0.700     0.700 peak   326 spectrum    1 weight  0.10000E+01 volume  0.28915E-02 ppm1      8.255 ppm2      3.172 CV     1
 ASSI {  327}
   (( segid " 1SG" and resid 75   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD2%)
      3.700     1.800     1.800 peak   327 spectrum    1 weight  0.10000E+01 volume  0.28761E-02 ppm1      9.151 ppm2      0.400 CV     1
 OR {  327}
   (( segid " 1SG" and resid 75   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI {  328}
   (( segid " 1SG" and resid 107  and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.000     1.100     1.100 peak   328 spectrum    1 weight  0.10000E+01 volume  0.28740E-02 ppm1      8.822 ppm2      0.372 CV     1
 ASSI {  329}
   (( segid " 1SG" and resid 64   and name HN  ))
   (( segid " 1SG" and resid 64   and name HB2 ))
      2.800     1.000     1.000 peak   329 spectrum    1 weight  0.10000E+01 volume  0.28737E-02 ppm1      7.752 ppm2      2.335 CV     1
 ASSI {  330}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 5    and name HA1 ))
      3.200     1.300     1.300 peak   330 spectrum    1 weight  0.10000E+01 volume  0.28659E-02 ppm1      8.264 ppm2      3.842 CV     1
 OR {  330}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 5    and name HA2 ))
 ASSI {  332}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 75   and name HB2 ))
      2.700     0.900     0.900 peak   332 spectrum    1 weight  0.10000E+01 volume  0.28282E-02 ppm1      9.150 ppm2      2.889 CV     1
 OR {  332}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 75   and name HB1 ))
 ASSI {  333}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 15   and name HB2 ))
      2.800     1.000     1.000 peak   333 spectrum    1 weight  0.10000E+01 volume  0.28240E-02 ppm1      8.504 ppm2      2.013 CV     1
 OR {  333}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 15   and name HB1 ))
 ASSI {  335}
   (( segid " 1SG" and resid 5    and name HN  ))
   (( segid " 1SG" and resid 5    and name HA1 ))
      2.700     0.900     0.900 peak   335 spectrum    1 weight  0.10000E+01 volume  0.27894E-02 ppm1      8.144 ppm2      3.857 CV     1
 OR {  335}
   (( segid " 1SG" and resid 5    and name HN  ))
   (( segid " 1SG" and resid 5    and name HA2 ))
 ASSI {  336}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (  segid " 1SG" and resid 59   and name HD2%)
      2.800     1.000     1.000 peak   336 spectrum    1 weight  0.10000E+01 volume  0.27840E-02 ppm1     10.780 ppm2      0.692 CV     1
 ASSI {  339}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 19   and name HN  ))
      2.600     0.800     0.800 peak   339 spectrum    1 weight  0.10000E+01 volume  0.27624E-02 ppm1      8.825 ppm2      9.828 CV     1
 ASSI {  340}
   (( segid " 1SG" and resid 80   and name HE21))
   (( segid " 1SG" and resid 80   and name HG1 ))
      2.800     1.000     1.000 peak   340 spectrum    1 weight  0.10000E+01 volume  0.27582E-02 ppm1      6.984 ppm2      2.164 CV     1
 OR {  340}
   (( segid " 1SG" and resid 80   and name HE21))
   (( segid " 1SG" and resid 80   and name HG2 ))
 ASSI {  342}
   (( segid " 1SG" and resid 18   and name HN  ))
   (( segid " 1SG" and resid 17   and name HB  ))
      3.000     1.100     1.100 peak   342 spectrum    1 weight  0.10000E+01 volume  0.27510E-02 ppm1      8.006 ppm2      4.061 CV     1
 ASSI {  344}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 107  and name HB2 ))
      2.800     1.000     1.000 peak   344 spectrum    1 weight  0.10000E+01 volume  0.27419E-02 ppm1      8.825 ppm2      3.076 CV     1
 OR {  344}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 107  and name HB1 ))
 ASSI {  346}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HA  ))
      2.800     1.000     1.000 peak   346 spectrum    1 weight  0.10000E+01 volume  0.27298E-02 ppm1      8.305 ppm2      3.450 CV     1
 ASSI {  348}
   (( segid " 1SG" and resid 21   and name HN  ))
   (( segid " 1SG" and resid 20   and name HN  ))
      3.600     1.600     1.600 peak   348 spectrum    1 weight  0.10000E+01 volume  0.27106E-02 ppm1      8.168 ppm2      8.828 CV     1
 ASSI {  350}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 42   and name HA  ))
      2.700     0.900     0.900 peak   350 spectrum    1 weight  0.10000E+01 volume  0.26968E-02 ppm1      8.632 ppm2      5.786 CV     1
 ASSI {  351}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 54   and name HN  ))
      2.700     0.900     0.900 peak   351 spectrum    1 weight  0.10000E+01 volume  0.26816E-02 ppm1      7.198 ppm2      9.022 CV     1
 ASSI {  352}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 15   and name HB1 ))
      3.400     1.400     1.400 peak   352 spectrum    1 weight  0.10000E+01 volume  0.26804E-02 ppm1      8.593 ppm2      2.019 CV     1
 OR {  352}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 15   and name HB2 ))
 ASSI {  353}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 4    and name HG12))
      3.600     1.600     1.600 peak   353 spectrum    1 weight  0.10000E+01 volume  0.26804E-02 ppm1      8.263 ppm2      1.225 CV     1
 ASSI {  354}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 16   and name HA  ))
      2.800     1.000     1.000 peak   354 spectrum    1 weight  0.10000E+01 volume  0.26777E-02 ppm1      8.593 ppm2      4.581 CV     1
 ASSI {  355}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 52   and name HA  ))
      3.100     1.200     1.200 peak   355 spectrum    1 weight  0.10000E+01 volume  0.26761E-02 ppm1      6.764 ppm2      4.611 CV     1
 ASSI {  356}
   (( segid " 1SG" and resid 48   and name HN  ))
   (  segid " 1SG" and resid 47   and name HG2%)
      3.500     1.600     1.600 peak   356 spectrum    1 weight  0.10000E+01 volume  0.26695E-02 ppm1      8.397 ppm2      0.779 CV     1
 ASSI {  357}
   (( segid " 1SG" and resid 23   and name HN  ))
   (( segid " 1SG" and resid 22   and name HG12))
      4.000     2.000     2.000 peak   357 spectrum    1 weight  0.10000E+01 volume  0.26674E-02 ppm1      7.913 ppm2      0.071 CV     1
 ASSI {  358}
   (( segid " 1SG" and resid 39   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG2%)
      2.900     1.000     1.000 peak   358 spectrum    1 weight  0.10000E+01 volume  0.26664E-02 ppm1      7.891 ppm2     -0.459 CV     1
 ASSI {  361}
   (( segid " 1SG" and resid 83   and name HN  ))
   (  segid " 1SG" and resid 82   and name HB% )
      3.100     1.200     1.200 peak   361 spectrum    1 weight  0.10000E+01 volume  0.26359E-02 ppm1      8.256 ppm2      1.312 CV     1
 ASSI {  362}
   (( segid " 1SG" and resid 18   and name HN  ))
   (( segid " 1SG" and resid 18   and name HA  ))
      2.600     0.900     0.900 peak   362 spectrum    1 weight  0.10000E+01 volume  0.26321E-02 ppm1      8.005 ppm2      3.479 CV     1
 ASSI {  363}
   (( segid " 1SG" and resid 47   and name HN  ))
   (  segid " 1SG" and resid 47   and name HG2%)
      2.800     1.000     1.000 peak   363 spectrum    1 weight  0.10000E+01 volume  0.26117E-02 ppm1      7.291 ppm2      0.780 CV     1
 ASSI {  364}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 65   and name HN  ))
      2.600     0.900     0.900 peak   364 spectrum    1 weight  0.10000E+01 volume  0.26069E-02 ppm1      8.106 ppm2      8.306 CV     1
 ASSI {  367}
   (( segid " 1SG" and resid 17   and name HN  ))
   (( segid " 1SG" and resid 16   and name HB  ))
      3.200     1.300     1.300 peak   367 spectrum    1 weight  0.10000E+01 volume  0.25942E-02 ppm1      7.901 ppm2      1.791 CV     1
 ASSI {  368}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 67   and name HB2 ))
      2.900     1.000     1.000 peak   368 spectrum    1 weight  0.10000E+01 volume  0.25917E-02 ppm1      7.421 ppm2      3.728 CV     1
 OR {  368}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 67   and name HB1 ))
 ASSI {  370}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 61   and name HB2 ))
      3.300     1.400     1.400 peak   370 spectrum    1 weight  0.10000E+01 volume  0.25848E-02 ppm1      8.849 ppm2      2.303 CV     1
 ASSI {  371}
   (( segid " 1SG" and resid 92   and name HN  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      2.800     1.000     1.000 peak   371 spectrum    1 weight  0.10000E+01 volume  0.25814E-02 ppm1      8.734 ppm2      0.173 CV     1
 ASSI {  372}
   (( segid " 1SG" and resid 64   and name HN  ))
   (( segid " 1SG" and resid 64   and name HA  ))
      2.800     1.000     1.000 peak   372 spectrum    1 weight  0.10000E+01 volume  0.25784E-02 ppm1      7.752 ppm2      4.579 CV     1
 ASSI {  373}
   (( segid " 1SG" and resid 64   and name HN  ))
   (  segid " 1SG" and resid 63   and name HD% )
      3.100     1.200     1.200 peak   373 spectrum    1 weight  0.10000E+01 volume  0.25688E-02 ppm1      7.752 ppm2      5.902 CV     1
 ASSI {  374}
   (( segid " 1SG" and resid 77   and name HN  ))
   (  segid " 1SG" and resid 77   and name HG2%)
      2.900     1.100     1.100 peak   374 spectrum    1 weight  0.10000E+01 volume  0.25573E-02 ppm1      8.717 ppm2      1.030 CV     1
 ASSI {  376}
   (( segid " 1SG" and resid 42   and name HN  ))
   (( segid " 1SG" and resid 41   and name HA  ))
      2.700     0.900     0.900 peak   376 spectrum    1 weight  0.10000E+01 volume  0.25503E-02 ppm1      9.447 ppm2      5.468 CV     1
 ASSI {  378}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 12   and name HB2 ))
      3.000     1.100     1.100 peak   378 spectrum    1 weight  0.10000E+01 volume  0.25424E-02 ppm1      8.312 ppm2      1.966 CV     1
 ASSI {  379}
   (( segid " 1SG" and resid 58   and name HE22))
   (( segid " 1SG" and resid 58   and name HB1 ))
      3.800     1.800     1.800 peak   379 spectrum    1 weight  0.10000E+01 volume  0.25361E-02 ppm1      6.684 ppm2      2.396 CV     1
 OR {  379}
   (( segid " 1SG" and resid 58   and name HE22))
   (( segid " 1SG" and resid 58   and name HB2 ))
 ASSI {  382}
   (( segid " 1SG" and resid 76   and name HN  ))
   (( segid " 1SG" and resid 76   and name HB  ))
      2.600     0.900     0.900 peak   382 spectrum    1 weight  0.10000E+01 volume  0.25190E-02 ppm1      8.925 ppm2      1.902 CV     1
 ASSI {  383}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 12   and name HG2 ))
      3.900     1.900     1.900 peak   383 spectrum    1 weight  0.10000E+01 volume  0.25163E-02 ppm1      8.312 ppm2      2.471 CV     1
 OR {  383}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 12   and name HG1 ))
 ASSI {  384}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 96   and name HG2 ))
      3.000     1.100     1.100 peak   384 spectrum    1 weight  0.10000E+01 volume  0.25136E-02 ppm1      7.548 ppm2      1.318 CV     1
 OR {  384}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 96   and name HG1 ))
 ASSI {  388}
   (( segid " 1SG" and resid 106  and name HN  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      3.400     1.500     1.500 peak   388 spectrum    1 weight  0.10000E+01 volume  0.24883E-02 ppm1      8.150 ppm2      1.495 CV     1
 ASSI {  389}
   (( segid " 1SG" and resid 26   and name HN  ))
   (  segid " 1SG" and resid 26   and name HB% )
      2.700     0.900     0.900 peak   389 spectrum    1 weight  0.10000E+01 volume  0.24858E-02 ppm1      9.497 ppm2      1.455 CV     1
 ASSI {  390}
   (( segid " 1SG" and resid 20   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      3.200     1.300     1.300 peak   390 spectrum    1 weight  0.10000E+01 volume  0.24827E-02 ppm1      8.825 ppm2      1.174 CV     1
 ASSI {  391}
   (( segid " 1SG" and resid 21   and name HN  ))
   (( segid " 1SG" and resid 21   and name HA  ))
      2.600     0.900     0.900 peak   391 spectrum    1 weight  0.10000E+01 volume  0.24791E-02 ppm1      8.169 ppm2      5.493 CV     1
 ASSI {  392}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 59   and name HG  ))
      3.600     1.600     1.600 peak   392 spectrum    1 weight  0.10000E+01 volume  0.24765E-02 ppm1      8.382 ppm2      1.425 CV     1
 ASSI {  393}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 57   and name HA  ))
      2.700     0.900     0.900 peak   393 spectrum    1 weight  0.10000E+01 volume  0.24764E-02 ppm1      7.198 ppm2      5.399 CV     1
 ASSI {  395}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 107  and name HA  ))
      2.800     0.900     0.900 peak   395 spectrum    1 weight  0.10000E+01 volume  0.24684E-02 ppm1      8.825 ppm2      4.841 CV     1
 ASSI {  396}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 53   and name HB  ))
      3.500     1.500     1.500 peak   396 spectrum    1 weight  0.10000E+01 volume  0.24608E-02 ppm1      9.019 ppm2      2.127 CV     1
 ASSI {  398}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 13   and name HA  ))
      2.900     1.000     1.000 peak   398 spectrum    1 weight  0.10000E+01 volume  0.24575E-02 ppm1      8.312 ppm2      5.337 CV     1
 ASSI {  399}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 44   and name HA1 ))
      2.700     0.900     0.900 peak   399 spectrum    1 weight  0.10000E+01 volume  0.24464E-02 ppm1      8.211 ppm2      3.463 CV     1
 ASSI {  401}
   (( segid " 1SG" and resid 12   and name HN  ))
   (( segid " 1SG" and resid 12   and name HG2 ))
      2.800     1.000     1.000 peak   401 spectrum    1 weight  0.10000E+01 volume  0.24337E-02 ppm1      8.346 ppm2      2.468 CV     1
 OR {  401}
   (( segid " 1SG" and resid 12   and name HN  ))
   (( segid " 1SG" and resid 12   and name HG1 ))
 ASSI {  403}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB1 ))
      3.600     1.600     1.600 peak   403 spectrum    1 weight  0.10000E+01 volume  0.24198E-02 ppm1      8.686 ppm2      1.687 CV     1
 OR {  403}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB2 ))
 ASSI {  404}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 62   and name HA  ))
      2.800     1.000     1.000 peak   404 spectrum    1 weight  0.10000E+01 volume  0.24187E-02 ppm1      8.849 ppm2      4.602 CV     1
 ASSI {  407}
   (( segid " 1SG" and resid 60   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD2%)
      3.100     1.200     1.200 peak   407 spectrum    1 weight  0.10000E+01 volume  0.24019E-02 ppm1      8.689 ppm2      0.691 CV     1
 ASSI {  408}
   (( segid " 1SG" and resid 106  and name HN  ))
   (  segid " 1SG" and resid 106  and name HG1%)
      2.600     0.900     0.900 peak   408 spectrum    1 weight  0.10000E+01 volume  0.23896E-02 ppm1      8.151 ppm2      0.679 CV     1
 ASSI {  409}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 41   and name HD1 ))
      2.800     1.000     1.000 peak   409 spectrum    1 weight  0.10000E+01 volume  0.23786E-02 ppm1      9.308 ppm2      7.130 CV     1
 ASSI {  411}
   (( segid " 1SG" and resid 51   and name HN  ))
   (( segid " 1SG" and resid 51   and name HA  ))
      3.000     1.100     1.100 peak   411 spectrum    1 weight  0.10000E+01 volume  0.23374E-02 ppm1      7.877 ppm2      4.560 CV     1
 ASSI {  413}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 15   and name HG1 ))
      3.100     1.200     1.200 peak   413 spectrum    1 weight  0.10000E+01 volume  0.23292E-02 ppm1      8.506 ppm2      2.277 CV     1
 OR {  413}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 15   and name HG2 ))
 ASSI {  415}
   (( segid " 1SG" and resid 17   and name HN  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      3.200     1.300     1.300 peak   415 spectrum    1 weight  0.10000E+01 volume  0.23288E-02 ppm1      7.900 ppm2      0.602 CV     1
 ASSI {  416}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 15   and name HA  ))
      2.800     1.000     1.000 peak   416 spectrum    1 weight  0.10000E+01 volume  0.23225E-02 ppm1      8.504 ppm2      5.491 CV     1
 ASSI {  417}
   (( segid " 1SG" and resid 103  and name HD21))
   (( segid " 1SG" and resid 103  and name HB2 ))
      2.800     1.000     1.000 peak   417 spectrum    1 weight  0.10000E+01 volume  0.23198E-02 ppm1      7.721 ppm2      2.502 CV     1
 ASSI {  421}
   (( segid " 1SG" and resid 80   and name HE22))
   (( segid " 1SG" and resid 80   and name HG1 ))
      3.600     1.600     1.600 peak   421 spectrum    1 weight  0.10000E+01 volume  0.23099E-02 ppm1      6.645 ppm2      2.164 CV     1
 OR {  421}
   (( segid " 1SG" and resid 80   and name HE22))
   (( segid " 1SG" and resid 80   and name HG2 ))
 ASSI {  422}
   (( segid " 1SG" and resid 100  and name HN  ))
   (( segid " 1SG" and resid 99   and name HA  ))
      2.800     1.000     1.000 peak   422 spectrum    1 weight  0.10000E+01 volume  0.22993E-02 ppm1      8.896 ppm2      5.700 CV     1
 ASSI {  424}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 38   and name HA  ))
      2.800     1.000     1.000 peak   424 spectrum    1 weight  0.10000E+01 volume  0.22877E-02 ppm1      8.372 ppm2      3.897 CV     1
 ASSI {  425}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 53   and name HB  ))
      3.100     3.100     2.900 peak   425 spectrum    1 weight  0.10000E+01 volume  0.22802E-02 ppm1      7.785 ppm2      2.145 CV     1
 ASSI {  426}
   (( segid " 1SG" and resid 78   and name HN  ))
   (  segid " 1SG" and resid 77   and name HG2%)
      4.000     2.000     2.000 peak   426 spectrum    1 weight  0.10000E+01 volume  0.22798E-02 ppm1      8.054 ppm2      1.025 CV     1
 ASSI {  427}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 103  and name HB2 ))
      2.900     1.100     1.100 peak   427 spectrum    1 weight  0.10000E+01 volume  0.22787E-02 ppm1      9.242 ppm2      2.501 CV     1
 ASSI {  430}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 50   and name HA  ))
      3.000     1.100     1.100 peak   430 spectrum    1 weight  0.10000E+01 volume  0.22531E-02 ppm1      8.940 ppm2      3.956 CV     1
 ASSI {  431}
   (( segid " 1SG" and resid 23   and name HN  ))
   (  segid " 1SG" and resid 22   and name HD1%)
      3.100     1.200     1.200 peak   431 spectrum    1 weight  0.10000E+01 volume  0.22504E-02 ppm1      7.912 ppm2      0.534 CV     1
 ASSI {  432}
   (( segid " 1SG" and resid 30   and name HN  ))
   (( segid " 1SG" and resid 69   and name HA  ))
      2.500     0.800     0.800 peak   432 spectrum    1 weight  0.10000E+01 volume  0.22440E-02 ppm1      8.591 ppm2      4.580 CV     1
 ASSI {  433}
   (( segid " 1SG" and resid 87   and name HN  ))
   (( segid " 1SG" and resid 86   and name HA1 ))
      3.500     1.500     1.500 peak   433 spectrum    1 weight  0.10000E+01 volume  0.22346E-02 ppm1      9.115 ppm2      3.473 CV     1
 ASSI {  434}
   (( segid " 1SG" and resid 61   and name HN  ))
   (( segid " 1SG" and resid 61   and name HA  ))
      2.800     1.000     1.000 peak   434 spectrum    1 weight  0.10000E+01 volume  0.22337E-02 ppm1      8.180 ppm2      5.560 CV     1
 ASSI {  435}
   (( segid " 1SG" and resid 87   and name HN  ))
   (( segid " 1SG" and resid 86   and name HA2 ))
      2.300     0.700     0.700 peak   435 spectrum    1 weight  0.10000E+01 volume  0.22282E-02 ppm1      9.112 ppm2      4.658 CV     1
 ASSI {  437}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 13   and name HA  ))
      2.900     1.100     1.100 peak   437 spectrum    1 weight  0.10000E+01 volume  0.22231E-02 ppm1      9.242 ppm2      5.338 CV     1
 ASSI {  439}
   (( segid " 1SG" and resid 8    and name HN  ))
   (( segid " 1SG" and resid 7    and name HA  ))
      2.700     0.900     0.900 peak   439 spectrum    1 weight  0.10000E+01 volume  0.22184E-02 ppm1      9.052 ppm2      4.631 CV     1
 ASSI {  440}
   (( segid " 1SG" and resid 86   and name HN  ))
   (( segid " 1SG" and resid 86   and name HA2 ))
      2.700     0.900     0.900 peak   440 spectrum    1 weight  0.10000E+01 volume  0.22182E-02 ppm1      7.947 ppm2      4.658 CV     1
 ASSI {  443}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 77   and name HB  ))
      3.100     1.200     1.200 peak   443 spectrum    1 weight  0.10000E+01 volume  0.21926E-02 ppm1      8.053 ppm2      4.009 CV     1
 ASSI {  446}
   (( segid " 1SG" and resid 101  and name HN  ))
   (( segid " 1SG" and resid 100  and name HA  ))
      2.800     1.000     1.000 peak   446 spectrum    1 weight  0.10000E+01 volume  0.21598E-02 ppm1      9.045 ppm2      4.660 CV     1
 ASSI {  448}
   (( segid " 1SG" and resid 63   and name HN  ))
   (( segid " 1SG" and resid 62   and name HB2 ))
      3.400     1.500     1.500 peak   448 spectrum    1 weight  0.10000E+01 volume  0.21590E-02 ppm1      8.516 ppm2      3.810 CV     1
 ASSI {  449}
   (( segid " 1SG" and resid 8    and name HN  ))
   (  segid " 1SG" and resid 8    and name HG2%)
      2.900     1.000     1.000 peak   449 spectrum    1 weight  0.10000E+01 volume  0.21588E-02 ppm1      9.052 ppm2      0.947 CV     1
 OR {  449}
   (( segid " 1SG" and resid 8    and name HN  ))
   (  segid " 1SG" and resid 8    and name HG1%)
 ASSI {  450}
   (( segid " 1SG" and resid 9    and name HN  ))
   (  segid " 1SG" and resid 8    and name HG2%)
      3.600     1.700     1.700 peak   450 spectrum    1 weight  0.10000E+01 volume  0.21455E-02 ppm1      7.890 ppm2      0.950 CV     1
 OR {  450}
   (( segid " 1SG" and resid 9    and name HN  ))
   (  segid " 1SG" and resid 8    and name HG1%)
 ASSI {  453}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 52   and name HB2 ))
      2.800     1.000     1.000 peak   453 spectrum    1 weight  0.10000E+01 volume  0.21252E-02 ppm1      7.785 ppm2      1.718 CV     1
 ASSI {  454}
   (( segid " 1SG" and resid 39   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG1%)
      3.600     1.600     1.600 peak   454 spectrum    1 weight  0.10000E+01 volume  0.21213E-02 ppm1      7.892 ppm2     -0.081 CV     1
 ASSI {  456}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 37   and name HB2 ))
      3.200     1.300     1.300 peak   456 spectrum    1 weight  0.10000E+01 volume  0.21083E-02 ppm1      8.373 ppm2      1.365 CV     1
 ASSI {  458}
   (( segid " 1SG" and resid 48   and name HN  ))
   (  segid " 1SG" and resid 47   and name HG1%)
      3.100     1.200     1.200 peak   458 spectrum    1 weight  0.10000E+01 volume  0.20962E-02 ppm1      8.397 ppm2      0.978 CV     1
 ASSI {  460}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 54   and name HA1 ))
      2.800     1.000     1.000 peak   460 spectrum    1 weight  0.10000E+01 volume  0.20882E-02 ppm1      9.019 ppm2      3.910 CV     1
 ASSI {  461}
   (( segid " 1SG" and resid 93   and name HN  ))
   (  segid " 1SG" and resid 93   and name HG2%)
      3.000     1.100     1.100 peak   461 spectrum    1 weight  0.10000E+01 volume  0.20838E-02 ppm1      8.557 ppm2      1.024 CV     1
 ASSI {  463}
   (( segid " 1SG" and resid 84   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG1%)
      2.800     1.000     1.000 peak   463 spectrum    1 weight  0.10000E+01 volume  0.20482E-02 ppm1      7.866 ppm2      0.680 CV     1
 ASSI {  465}
   (( segid " 1SG" and resid 40   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG2%)
      3.900     1.900     1.900 peak   465 spectrum    1 weight  0.10000E+01 volume  0.20418E-02 ppm1      8.695 ppm2     -0.459 CV     1
 ASSI {  466}
   (( segid " 1SG" and resid 24   and name HN  ))
   (  segid " 1SG" and resid 24   and name HD% )
      3.100     1.200     1.200 peak   466 spectrum    1 weight  0.10000E+01 volume  0.20348E-02 ppm1      9.240 ppm2      6.937 CV     1
 ASSI {  468}
   (( segid " 1SG" and resid 83   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG1%)
      2.800     1.000     1.000 peak   468 spectrum    1 weight  0.10000E+01 volume  0.20329E-02 ppm1      8.255 ppm2      0.675 CV     1
 ASSI {  469}
   (( segid " 1SG" and resid 27   and name HN  ))
   (  segid " 1SG" and resid 26   and name HB% )
      3.300     1.400     1.400 peak   469 spectrum    1 weight  0.10000E+01 volume  0.20250E-02 ppm1      8.888 ppm2      1.455 CV     1
 ASSI {  470}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 47   and name HA  ))
      2.800     1.000     1.000 peak   470 spectrum    1 weight  0.10000E+01 volume  0.20217E-02 ppm1      7.291 ppm2      4.058 CV     1
 ASSI {  474}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 21   and name HB2 ))
      2.800     1.000     1.000 peak   474 spectrum    1 weight  0.10000E+01 volume  0.20148E-02 ppm1      8.888 ppm2      3.751 CV     1
 ASSI {  476}
   (( segid " 1SG" and resid 51   and name HN  ))
   (( segid " 1SG" and resid 50   and name HN  ))
      2.800     1.000     1.000 peak   476 spectrum    1 weight  0.10000E+01 volume  0.20079E-02 ppm1      7.880 ppm2      8.943 CV     1
 ASSI {  477}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 18   and name HA  ))
      3.900     1.900     1.900 peak   477 spectrum    1 weight  0.10000E+01 volume  0.20061E-02 ppm1      8.823 ppm2      3.479 CV     1
 ASSI {  479}
   (( segid " 1SG" and resid 76   and name HN  ))
   (  segid " 1SG" and resid 23   and name HG2%)
      3.500     1.600     1.600 peak   479 spectrum    1 weight  0.10000E+01 volume  0.20028E-02 ppm1      8.927 ppm2      0.780 CV     1
 ASSI {  480}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 22   and name HA  ))
      2.800     1.000     1.000 peak   480 spectrum    1 weight  0.10000E+01 volume  0.19922E-02 ppm1      8.888 ppm2      4.342 CV     1
 ASSI {  482}
   (( segid " 1SG" and resid 49   and name HN  ))
   (  segid " 1SG" and resid 49   and name HD1%)
      3.500     1.600     1.600 peak   482 spectrum    1 weight  0.10000E+01 volume  0.19870E-02 ppm1      9.288 ppm2      1.750 CV     1
 ASSI {  483}
   (( segid " 1SG" and resid 30   and name HN  ))
   (( segid " 1SG" and resid 30   and name HA1 ))
      2.700     0.900     0.900 peak   483 spectrum    1 weight  0.10000E+01 volume  0.19805E-02 ppm1      8.591 ppm2      3.945 CV     1
 ASSI {  484}
   (( segid " 1SG" and resid 18   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.100     1.200     1.200 peak   484 spectrum    1 weight  0.10000E+01 volume  0.19605E-02 ppm1      8.006 ppm2      0.372 CV     1
 ASSI {  489}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 97   and name HB2 ))
      3.300     1.400     1.400 peak   489 spectrum    1 weight  0.10000E+01 volume  0.19344E-02 ppm1      8.062 ppm2      2.677 CV     1
 ASSI {  490}
   (( segid " 1SG" and resid 83   and name HN  ))
   (  segid " 1SG" and resid 83   and name HD% )
      3.500     1.500     1.500 peak   490 spectrum    1 weight  0.10000E+01 volume  0.19343E-02 ppm1      8.256 ppm2      7.116 CV     1
 ASSI {  492}
   (( segid " 1SG" and resid 29   and name HN  ))
   (  segid " 1SG" and resid 28   and name HG2%)
      3.800     1.800     1.800 peak   492 spectrum    1 weight  0.10000E+01 volume  0.19292E-02 ppm1      8.854 ppm2      0.635 CV     1
 ASSI {  493}
   (( segid " 1SG" and resid 23   and name HN  ))
   (( segid " 1SG" and resid 22   and name HB  ))
      4.200     2.200     1.800 peak   493 spectrum    1 weight  0.10000E+01 volume  0.19274E-02 ppm1      7.914 ppm2      1.515 CV     1
 ASSI {  495}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 44   and name HA2 ))
      2.900     1.000     1.000 peak   495 spectrum    1 weight  0.10000E+01 volume  0.19170E-02 ppm1      8.211 ppm2      3.816 CV     1
 ASSI {  498}
   (( segid " 1SG" and resid 52   and name HN  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      3.300     1.400     1.400 peak   498 spectrum    1 weight  0.10000E+01 volume  0.19091E-02 ppm1      7.782 ppm2      1.075 CV     1
 ASSI {  500}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 66   and name HA  ))
      3.100     1.200     1.200 peak   500 spectrum    1 weight  0.10000E+01 volume  0.19058E-02 ppm1      7.422 ppm2      4.123 CV     1
 ASSI {  501}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 106  and name HB  ))
      2.900     1.100     1.100 peak   501 spectrum    1 weight  0.10000E+01 volume  0.19029E-02 ppm1      8.151 ppm2      1.850 CV     1
 ASSI {  502}
   (( segid " 1SG" and resid 30   and name HN  ))
   (  segid " 1SG" and resid 69   and name HG2%)
      3.700     1.700     1.700 peak   502 spectrum    1 weight  0.10000E+01 volume  0.18962E-02 ppm1      8.591 ppm2      0.849 CV     1
 OR {  502}
   (( segid " 1SG" and resid 30   and name HN  ))
   (  segid " 1SG" and resid 69   and name HG1%)
 ASSI {  503}
   (( segid " 1SG" and resid 87   and name HN  ))
   (  segid " 1SG" and resid 87   and name HD% )
      2.400     0.700     0.700 peak   503 spectrum    1 weight  0.10000E+01 volume  0.18828E-02 ppm1      9.115 ppm2      6.800 CV     1
 ASSI {  504}
   (( segid " 1SG" and resid 61   and name HN  ))
   (( segid " 1SG" and resid 60   and name HB2 ))
      3.700     1.700     1.700 peak   504 spectrum    1 weight  0.10000E+01 volume  0.18756E-02 ppm1      8.180 ppm2      2.991 CV     1
 ASSI {  506}
   (( segid " 1SG" and resid 82   and name HN  ))
   (  segid " 1SG" and resid 82   and name HB% )
      3.200     1.300     1.300 peak   506 spectrum    1 weight  0.10000E+01 volume  0.18623E-02 ppm1      8.017 ppm2      1.312 CV     1
 ASSI {  508}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 96   and name HB2 ))
      3.800     1.800     1.800 peak   508 spectrum    1 weight  0.10000E+01 volume  0.18546E-02 ppm1      8.059 ppm2      1.560 CV     1
 ASSI {  509}
   (( segid " 1SG" and resid 80   and name HE21))
   (( segid " 1SG" and resid 80   and name HB2 ))
      2.900     1.100     1.100 peak   509 spectrum    1 weight  0.10000E+01 volume  0.18517E-02 ppm1      6.985 ppm2      1.949 CV     1
 OR {  509}
   (( segid " 1SG" and resid 80   and name HE21))
   (( segid " 1SG" and resid 80   and name HB1 ))
 ASSI {  510}
   (( segid " 1SG" and resid 85   and name HN  ))
   (( segid " 1SG" and resid 85   and name HA1 ))
      2.900     1.000     1.000 peak   510 spectrum    1 weight  0.10000E+01 volume  0.18432E-02 ppm1      9.407 ppm2      3.930 CV     1
 ASSI {  511}
   (( segid " 1SG" and resid 12   and name HN  ))
   (( segid " 1SG" and resid 12   and name HB2 ))
      3.100     1.200     1.200 peak   511 spectrum    1 weight  0.10000E+01 volume  0.18337E-02 ppm1      8.347 ppm2      1.969 CV     1
 ASSI {  512}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 102  and name HB2 ))
      3.400     1.400     1.400 peak   512 spectrum    1 weight  0.10000E+01 volume  0.18337E-02 ppm1      9.242 ppm2      2.724 CV     1
 ASSI {  515}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 20   and name HN  ))
      3.100     1.200     1.200 peak   515 spectrum    1 weight  0.10000E+01 volume  0.18272E-02 ppm1      8.972 ppm2      8.828 CV     1
 ASSI {  516}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 8    and name HB  ))
      2.900     1.000     1.000 peak   516 spectrum    1 weight  0.10000E+01 volume  0.18192E-02 ppm1      7.887 ppm2      1.807 CV     1
 ASSI {  518}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 87   and name HA  ))
      2.800     1.000     1.000 peak   518 spectrum    1 weight  0.10000E+01 volume  0.18133E-02 ppm1      9.108 ppm2      4.962 CV     1
 ASSI {  526}
   (( segid " 1SG" and resid 29   and name HN  ))
   (( segid " 1SG" and resid 29   and name HA  ))
      2.900     1.000     1.000 peak   526 spectrum    1 weight  0.10000E+01 volume  0.17642E-02 ppm1      8.854 ppm2      4.390 CV     1
 ASSI {  527}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 49   and name HG  ))
      3.500     1.500     1.500 peak   527 spectrum    1 weight  0.10000E+01 volume  0.17570E-02 ppm1      9.289 ppm2      0.785 CV     1
 ASSI {  530}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 54   and name HA2 ))
      3.300     1.400     1.400 peak   530 spectrum    1 weight  0.10000E+01 volume  0.17450E-02 ppm1      9.019 ppm2      4.291 CV     1
 ASSI {  531}
   (( segid " 1SG" and resid 19   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      3.300     1.400     1.400 peak   531 spectrum    1 weight  0.10000E+01 volume  0.17329E-02 ppm1      9.828 ppm2      1.174 CV     1
 ASSI {  532}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 60   and name HB2 ))
      3.000     1.100     1.100 peak   532 spectrum    1 weight  0.10000E+01 volume  0.17312E-02 ppm1      8.687 ppm2      2.990 CV     1
 ASSI {  533}
   (( segid " 1SG" and resid 5    and name HN  ))
   (( segid " 1SG" and resid 4    and name HB  ))
      2.600     0.800     0.800 peak   533 spectrum    1 weight  0.10000E+01 volume  0.17232E-02 ppm1      8.144 ppm2      2.029 CV     1
 ASSI {  534}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 71   and name HN  ))
      2.900     1.100     1.100 peak   534 spectrum    1 weight  0.10000E+01 volume  0.17217E-02 ppm1      8.848 ppm2      8.722 CV     1
 ASSI {  535}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 105  and name HB  ))
      2.900     1.100     1.100 peak   535 spectrum    1 weight  0.10000E+01 volume  0.17135E-02 ppm1      8.398 ppm2      3.929 CV     1
 ASSI {  537}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 58   and name HA  ))
      2.800     1.000     1.000 peak   537 spectrum    1 weight  0.10000E+01 volume  0.17117E-02 ppm1      8.940 ppm2      4.631 CV     1
 ASSI {  539}
   (( segid " 1SG" and resid 28   and name HN  ))
   (  segid " 1SG" and resid 28   and name HG2%)
      3.100     1.200     1.200 peak   539 spectrum    1 weight  0.10000E+01 volume  0.17057E-02 ppm1      9.673 ppm2      0.631 CV     1
 ASSI {  540}
   (( segid " 1SG" and resid 48   and name HN  ))
   (( segid " 1SG" and resid 48   and name HA  ))
      3.000     1.100     1.100 peak   540 spectrum    1 weight  0.10000E+01 volume  0.16997E-02 ppm1      8.396 ppm2      4.191 CV     1
 ASSI {  541}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 40   and name HB2 ))
      3.600     1.600     1.600 peak   541 spectrum    1 weight  0.10000E+01 volume  0.16984E-02 ppm1      8.694 ppm2      1.340 CV     1
 ASSI {  542}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 59   and name HA  ))
      2.800     1.000     1.000 peak   542 spectrum    1 weight  0.10000E+01 volume  0.16970E-02 ppm1      8.380 ppm2      5.185 CV     1
 ASSI {  544}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 16   and name HN  ))
      3.200     1.300     1.300 peak   544 spectrum    1 weight  0.10000E+01 volume  0.16875E-02 ppm1      8.823 ppm2      8.584 CV     1
 ASSI {  545}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 93   and name HN  ))
      2.900     1.100     1.100 peak   545 spectrum    1 weight  0.10000E+01 volume  0.16863E-02 ppm1      7.548 ppm2      8.557 CV     1
 ASSI {  546}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 71   and name HB2 ))
      3.300     1.400     1.400 peak   546 spectrum    1 weight  0.10000E+01 volume  0.16817E-02 ppm1      8.723 ppm2      1.271 CV     1
 ASSI {  548}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 58   and name HG2 ))
      4.500     2.600     1.500 peak   548 spectrum    1 weight  0.10000E+01 volume  0.16757E-02 ppm1      8.378 ppm2      1.797 CV     1
 ASSI {  549}
   (( segid " 1SG" and resid 91   and name HN  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      3.600     1.600     1.600 peak   549 spectrum    1 weight  0.10000E+01 volume  0.16757E-02 ppm1      8.474 ppm2      0.179 CV     1
 ASSI {  550}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 14   and name HA2 ))
      2.900     1.000     1.000 peak   550 spectrum    1 weight  0.10000E+01 volume  0.16717E-02 ppm1      9.184 ppm2      4.939 CV     1
 ASSI {  551}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 40   and name HB2 ))
      3.300     1.400     1.400 peak   551 spectrum    1 weight  0.10000E+01 volume  0.16686E-02 ppm1      9.309 ppm2      1.344 CV     1
 ASSI {  554}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 88   and name HA  ))
      2.900     1.000     1.000 peak   554 spectrum    1 weight  0.10000E+01 volume  0.16606E-02 ppm1      8.977 ppm2      5.305 CV     1
 ASSI {  555}
   (( segid " 1SG" and resid 59   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD1%)
      4.000     2.000     2.000 peak   555 spectrum    1 weight  0.10000E+01 volume  0.16573E-02 ppm1      8.380 ppm2      0.859 CV     1
 ASSI {  559}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 47   and name HB  ))
      3.300     1.300     1.300 peak   559 spectrum    1 weight  0.10000E+01 volume  0.16409E-02 ppm1      8.633 ppm2      2.501 CV     1
 ASSI {  560}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 92   and name HB1 ))
      3.200     1.300     1.300 peak   560 spectrum    1 weight  0.10000E+01 volume  0.16360E-02 ppm1      8.734 ppm2      3.936 CV     1
 OR {  560}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 92   and name HB2 ))
 ASSI {  561}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 96   and name HB2 ))
      2.700     0.900     0.900 peak   561 spectrum    1 weight  0.10000E+01 volume  0.16312E-02 ppm1      7.548 ppm2      1.566 CV     1
 ASSI {  563}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 64   and name HA  ))
      4.000     2.000     2.000 peak   563 spectrum    1 weight  0.10000E+01 volume  0.16227E-02 ppm1      8.107 ppm2      4.573 CV     1
 ASSI {  564}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 39   and name HA  ))
      2.900     1.100     1.100 peak   564 spectrum    1 weight  0.10000E+01 volume  0.16201E-02 ppm1      7.892 ppm2      4.799 CV     1
 ASSI {  565}
   (( segid " 1SG" and resid 72   and name HN  ))
   (  segid " 1SG" and resid 72   and name HD% )
      2.800     1.000     1.000 peak   565 spectrum    1 weight  0.10000E+01 volume  0.16191E-02 ppm1      9.296 ppm2      7.306 CV     1
 ASSI {  566}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 14   and name HA1 ))
      3.100     1.200     1.200 peak   566 spectrum    1 weight  0.10000E+01 volume  0.16113E-02 ppm1      9.184 ppm2      3.743 CV     1
 ASSI {  567}
   (( segid " 1SG" and resid 77   and name HN  ))
   (( segid " 1SG" and resid 77   and name HA  ))
      2.800     1.000     1.000 peak   567 spectrum    1 weight  0.10000E+01 volume  0.16112E-02 ppm1      8.715 ppm2      4.655 CV     1
 ASSI {  570}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 87   and name HA  ))
      3.200     1.300     1.300 peak   570 spectrum    1 weight  0.10000E+01 volume  0.15863E-02 ppm1      8.211 ppm2      4.972 CV     1
 ASSI {  571}
   (( segid " 1SG" and resid 30   and name HN  ))
   (( segid " 1SG" and resid 30   and name HA2 ))
      3.200     1.200     1.200 peak   571 spectrum    1 weight  0.10000E+01 volume  0.15845E-02 ppm1      8.590 ppm2      4.673 CV     1
 ASSI {  573}
   (( segid " 1SG" and resid 108  and name HN  ))
   (  segid " 1SG" and resid 18   and name HG2%)
      3.500     1.600     1.600 peak   573 spectrum    1 weight  0.10000E+01 volume  0.15645E-02 ppm1      8.565 ppm2      0.943 CV     1
 ASSI {  574}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 13   and name HB2 ))
      2.800     1.000     1.000 peak   574 spectrum    1 weight  0.10000E+01 volume  0.15632E-02 ppm1      9.184 ppm2      2.684 CV     1
 ASSI {  575}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 75   and name HB2 ))
      3.000     1.100     1.100 peak   575 spectrum    1 weight  0.10000E+01 volume  0.15627E-02 ppm1      8.941 ppm2      2.888 CV     1
 OR {  575}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 75   and name HB1 ))
 ASSI {  576}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 77   and name HA  ))
      2.900     1.100     1.100 peak   576 spectrum    1 weight  0.10000E+01 volume  0.15545E-02 ppm1      8.887 ppm2      4.655 CV     1
 ASSI {  578}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 40   and name HA  ))
      2.900     1.100     1.100 peak   578 spectrum    1 weight  0.10000E+01 volume  0.15541E-02 ppm1      8.696 ppm2      4.547 CV     1
 ASSI {  579}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 65   and name HA  ))
      3.200     1.300     1.300 peak   579 spectrum    1 weight  0.10000E+01 volume  0.15523E-02 ppm1      8.106 ppm2      3.452 CV     1
 ASSI {  581}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 84   and name HA  ))
      3.000     1.100     1.100 peak   581 spectrum    1 weight  0.10000E+01 volume  0.15367E-02 ppm1      8.151 ppm2      4.228 CV     1
 OR {  581}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 84   and name HB  ))
 ASSI {  582}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 56   and name HN  ))
      2.900     1.000     1.000 peak   582 spectrum    1 weight  0.10000E+01 volume  0.15365E-02 ppm1      7.199 ppm2      8.391 CV     1
 ASSI {  584}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 96   and name HG1 ))
      4.000     2.000     2.000 peak   584 spectrum    1 weight  0.10000E+01 volume  0.15353E-02 ppm1      8.062 ppm2      1.318 CV     1
 OR {  584}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 96   and name HG2 ))
 ASSI {  585}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HB1 ))
      3.000     1.100     1.100 peak   585 spectrum    1 weight  0.10000E+01 volume  0.15332E-02 ppm1      8.888 ppm2      1.573 CV     1
 OR {  585}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HB2 ))
 ASSI {  587}
   (( segid " 1SG" and resid 79   and name HN  ))
   (  segid " 1SG" and resid 76   and name HG2%)
      3.400     3.400     2.600 peak   587 spectrum    1 weight  0.10000E+01 volume  0.15270E-02 ppm1      8.974 ppm2      0.787 CV     1
 ASSI {  590}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 53   and name HA  ))
      3.600     1.600     1.600 peak   590 spectrum    1 weight  0.10000E+01 volume  0.15074E-02 ppm1      7.198 ppm2      4.042 CV     1
 ASSI {  592}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 94   and name HA  ))
      3.200     1.200     1.200 peak   592 spectrum    1 weight  0.10000E+01 volume  0.15049E-02 ppm1      7.971 ppm2      4.045 CV     1
 ASSI {  593}
   (( segid " 1SG" and resid 63   and name HN  ))
   (( segid " 1SG" and resid 63   and name HB2 ))
      3.500     1.500     1.500 peak   593 spectrum    1 weight  0.10000E+01 volume  0.15041E-02 ppm1      8.518 ppm2      2.529 CV     1
 ASSI {  595}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 76   and name HB  ))
      3.300     1.400     1.400 peak   595 spectrum    1 weight  0.10000E+01 volume  0.14939E-02 ppm1      8.888 ppm2      1.901 CV     1
 ASSI {  596}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 104  and name HA  ))
      2.900     1.100     1.100 peak   596 spectrum    1 weight  0.10000E+01 volume  0.14922E-02 ppm1      9.184 ppm2      5.418 CV     1
 ASSI {  597}
   (( segid " 1SG" and resid 18   and name HN  ))
   (( segid " 1SG" and resid 108  and name HA  ))
      3.300     1.400     1.400 peak   597 spectrum    1 weight  0.10000E+01 volume  0.14922E-02 ppm1      8.006 ppm2      4.146 CV     1
 ASSI {  599}
   (( segid " 1SG" and resid 80   and name HN  ))
   (( segid " 1SG" and resid 79   and name HA  ))
      2.900     1.100     1.100 peak   599 spectrum    1 weight  0.10000E+01 volume  0.14800E-02 ppm1      5.579 ppm2      3.659 CV     1
 ASSI {  601}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      4.100     2.100     1.900 peak   601 spectrum    1 weight  0.10000E+01 volume  0.14700E-02 ppm1      9.018 ppm2      1.461 CV     1
 ASSI {  603}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 38   and name HN  ))
      3.000     1.100     1.100 peak   603 spectrum    1 weight  0.10000E+01 volume  0.14624E-02 ppm1      8.735 ppm2      8.378 CV     1
 ASSI {  604}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 46   and name HN  ))
      2.600     2.600     3.400 peak   604 spectrum    1 weight  0.10000E+01 volume  0.14609E-02 ppm1      7.293 ppm2      8.221 CV     1
 ASSI {  608}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 78   and name HB2 ))
      3.300     1.400     1.400 peak   608 spectrum    1 weight  0.10000E+01 volume  0.14478E-02 ppm1      8.054 ppm2      2.374 CV     1
 ASSI {  611}
   (( segid " 1SG" and resid 23   and name HN  ))
   (  segid " 1SG" and resid 23   and name HG2%)
      4.000     2.000     2.000 peak   611 spectrum    1 weight  0.10000E+01 volume  0.14408E-02 ppm1      7.914 ppm2      0.771 CV     1
 ASSI {  612}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 28   and name HB  ))
      3.100     1.200     1.200 peak   612 spectrum    1 weight  0.10000E+01 volume  0.14344E-02 ppm1      9.674 ppm2      1.955 CV     1
 ASSI {  613}
   (( segid " 1SG" and resid 107  and name HN  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      3.500     1.600     1.600 peak   613 spectrum    1 weight  0.10000E+01 volume  0.14326E-02 ppm1      8.823 ppm2      0.606 CV     1
 ASSI {  614}
   (( segid " 1SG" and resid 17   and name HN  ))
   (( segid " 1SG" and resid 18   and name HN  ))
      3.800     1.800     1.800 peak   614 spectrum    1 weight  0.10000E+01 volume  0.14277E-02 ppm1      7.899 ppm2      7.995 CV     1
 ASSI {  620}
   (( segid " 1SG" and resid 107  and name HN  ))
   (  segid " 1SG" and resid 106  and name HG1%)
      4.000     2.000     2.000 peak   620 spectrum    1 weight  0.10000E+01 volume  0.13914E-02 ppm1      8.823 ppm2      0.675 CV     1
 ASSI {  622}
   (( segid " 1SG" and resid 61   and name HN  ))
   (( segid " 1SG" and resid 61   and name HB2 ))
      3.400     1.400     1.400 peak   622 spectrum    1 weight  0.10000E+01 volume  0.13822E-02 ppm1      8.177 ppm2      2.298 CV     1
 ASSI {  623}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 58   and name HG2 ))
      3.600     1.600     1.600 peak   623 spectrum    1 weight  0.10000E+01 volume  0.13818E-02 ppm1      8.941 ppm2      1.805 CV     1
 ASSI {  626}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 92   and name HA  ))
      3.100     1.200     1.200 peak   626 spectrum    1 weight  0.10000E+01 volume  0.13786E-02 ppm1      8.735 ppm2      5.242 CV     1
 ASSI {  627}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 68   and name HN  ))
      4.000     2.000     2.000 peak   627 spectrum    1 weight  0.10000E+01 volume  0.13783E-02 ppm1      8.106 ppm2      7.877 CV     1
 ASSI {  630}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 16   and name HB  ))
      3.500     1.500     1.500 peak   630 spectrum    1 weight  0.10000E+01 volume  0.13647E-02 ppm1      8.594 ppm2      1.795 CV     1
 ASSI {  631}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 97   and name HA  ))
      3.200     1.300     1.300 peak   631 spectrum    1 weight  0.10000E+01 volume  0.13646E-02 ppm1      8.062 ppm2      5.253 CV     1
 ASSI {  632}
   (( segid " 1SG" and resid 58   and name HE22))
   (( segid " 1SG" and resid 76   and name HG12))
      3.800     1.800     1.800 peak   632 spectrum    1 weight  0.10000E+01 volume  0.13632E-02 ppm1      6.684 ppm2      1.101 CV     1
 ASSI {  635}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB1 ))
      3.100     1.200     1.200 peak   635 spectrum    1 weight  0.10000E+01 volume  0.13568E-02 ppm1      8.944 ppm2      2.395 CV     1
 OR {  635}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB2 ))
 ASSI {  636}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 25   and name HB2 ))
      3.200     1.300     1.300 peak   636 spectrum    1 weight  0.10000E+01 volume  0.13516E-02 ppm1      8.404 ppm2      3.599 CV     1
 ASSI {  637}
   (( segid " 1SG" and resid 7    and name HN  ))
   (  segid " 1SG" and resid 7    and name HD% )
      3.600     1.600     1.600 peak   637 spectrum    1 weight  0.10000E+01 volume  0.13478E-02 ppm1      8.878 ppm2      7.307 CV     1
 ASSI {  638}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 75   and name HA  ))
      3.100     1.200     1.200 peak   638 spectrum    1 weight  0.10000E+01 volume  0.13462E-02 ppm1      9.154 ppm2      5.086 CV     1
 ASSI {  639}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 107  and name HD2 ))
      3.300     1.400     1.400 peak   639 spectrum    1 weight  0.10000E+01 volume  0.13432E-02 ppm1      8.593 ppm2      6.922 CV     1
 ASSI {  642}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 35   and name HD1 ))
      3.400     1.400     1.400 peak   642 spectrum    1 weight  0.10000E+01 volume  0.13351E-02 ppm1      8.373 ppm2      1.622 CV     1
 OR {  642}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 35   and name HD2 ))
 ASSI {  643}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 75   and name HN  ))
      2.900     1.100     1.100 peak   643 spectrum    1 weight  0.10000E+01 volume  0.13340E-02 ppm1      8.939 ppm2      9.154 CV     1
 ASSI {  644}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 19   and name HN  ))
      3.000     1.100     1.100 peak   644 spectrum    1 weight  0.10000E+01 volume  0.13193E-02 ppm1      8.973 ppm2      9.828 CV     1
 ASSI {  645}
   (( segid " 1SG" and resid 59   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD2%)
      3.800     1.900     1.900 peak   645 spectrum    1 weight  0.10000E+01 volume  0.13167E-02 ppm1      8.381 ppm2      0.692 CV     1
 ASSI {  646}
   (( segid " 1SG" and resid 5    and name HN  ))
   (( segid " 1SG" and resid 4    and name HA  ))
      3.500     1.600     1.600 peak   646 spectrum    1 weight  0.10000E+01 volume  0.13139E-02 ppm1      8.144 ppm2      4.009 CV     1
 ASSI {  647}
   (( segid " 1SG" and resid 77   and name HN  ))
   (( segid " 1SG" and resid 57   and name HA  ))
      3.900     1.900     1.900 peak   647 spectrum    1 weight  0.10000E+01 volume  0.13128E-02 ppm1      8.715 ppm2      5.396 CV     1
 ASSI {  649}
   (( segid " 1SG" and resid 80   and name HE22))
   (( segid " 1SG" and resid 80   and name HB2 ))
      4.000     2.000     2.000 peak   649 spectrum    1 weight  0.10000E+01 volume  0.13076E-02 ppm1      6.645 ppm2      1.953 CV     1
 OR {  649}
   (( segid " 1SG" and resid 80   and name HE22))
   (( segid " 1SG" and resid 80   and name HB1 ))
 ASSI {  651}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 94   and name HB2 ))
      3.500     1.500     1.500 peak   651 spectrum    1 weight  0.10000E+01 volume  0.12980E-02 ppm1      7.971 ppm2      1.782 CV     1
 ASSI {  652}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 11   and name HA  ))
      3.400     1.400     1.400 peak   652 spectrum    1 weight  0.10000E+01 volume  0.12926E-02 ppm1      8.398 ppm2      4.795 CV     1
 ASSI {  653}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 64   and name HB2 ))
      3.600     1.700     1.700 peak   653 spectrum    1 weight  0.10000E+01 volume  0.12891E-02 ppm1      6.898 ppm2      2.337 CV     1
 ASSI {  654}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 59   and name HG  ))
      4.100     2.100     1.900 peak   654 spectrum    1 weight  0.10000E+01 volume  0.12875E-02 ppm1      8.699 ppm2      1.425 CV     1
 ASSI {  655}
   (( segid " 1SG" and resid 7    and name HN  ))
   (( segid " 1SG" and resid 6    and name HG  ))
      3.800     1.800     1.800 peak   655 spectrum    1 weight  0.10000E+01 volume  0.12862E-02 ppm1      8.878 ppm2      1.313 CV     1
 ASSI {  656}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 68   and name HA  ))
      4.600     2.700     1.400 peak   656 spectrum    1 weight  0.10000E+01 volume  0.12840E-02 ppm1      7.420 ppm2      3.594 CV     1
 ASSI {  658}
   (( segid " 1SG" and resid 26   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD1%)
      3.000     1.200     1.200 peak   658 spectrum    1 weight  0.10000E+01 volume  0.12832E-02 ppm1      9.497 ppm2      0.841 CV     1
 ASSI {  659}
   (( segid " 1SG" and resid 103  and name HD22))
   (( segid " 1SG" and resid 103  and name HB2 ))
      4.200     2.200     1.800 peak   659 spectrum    1 weight  0.10000E+01 volume  0.12812E-02 ppm1      6.747 ppm2      2.501 CV     1
 ASSI {  660}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 24   and name HB2 ))
      3.800     1.800     1.800 peak   660 spectrum    1 weight  0.10000E+01 volume  0.12805E-02 ppm1      8.399 ppm2      2.394 CV     1
 ASSI {  661}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 45   and name HD1 ))
      3.700     1.700     1.700 peak   661 spectrum    1 weight  0.10000E+01 volume  0.12779E-02 ppm1     10.113 ppm2      1.215 CV     1
 OR {  661}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 45   and name HD2 ))
 ASSI {  662}
   (( segid " 1SG" and resid 34   and name HN  ))
   (( segid " 1SG" and resid 93   and name HA  ))
      3.800     3.800     2.200 peak   662 spectrum    1 weight  0.10000E+01 volume  0.12741E-02 ppm1      8.673 ppm2      4.763 CV     1
 ASSI {  663}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 73   and name HN  ))
      3.100     1.200     1.200 peak   663 spectrum    1 weight  0.10000E+01 volume  0.12719E-02 ppm1      8.686 ppm2      9.449 CV     1
 ASSI {  664}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 61   and name HA  ))
      3.600     1.600     1.600 peak   664 spectrum    1 weight  0.10000E+01 volume  0.12712E-02 ppm1      9.450 ppm2      5.557 CV     1
 ASSI {  665}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 24   and name HA  ))
      3.100     1.200     1.200 peak   665 spectrum    1 weight  0.10000E+01 volume  0.12711E-02 ppm1      9.240 ppm2      4.615 CV     1
 ASSI {  666}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 27   and name HB2 ))
      3.300     1.300     1.300 peak   666 spectrum    1 weight  0.10000E+01 volume  0.12606E-02 ppm1      9.672 ppm2      1.578 CV     1
 OR {  666}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 27   and name HB1 ))
 ASSI {  667}
   (( segid " 1SG" and resid 104  and name HN  ))
   (  segid " 1SG" and resid 87   and name HD% )
      3.500     1.600     1.600 peak   667 spectrum    1 weight  0.10000E+01 volume  0.12595E-02 ppm1      8.792 ppm2      6.806 CV     1
 ASSI {  668}
   (( segid " 1SG" and resid 26   and name HN  ))
   (( segid " 1SG" and resid 25   and name HB2 ))
      3.500     1.500     1.500 peak   668 spectrum    1 weight  0.10000E+01 volume  0.12557E-02 ppm1      9.497 ppm2      3.598 CV     1
 ASSI {  669}
   (( segid " 1SG" and resid 58   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
      3.400     1.400     1.400 peak   669 spectrum    1 weight  0.10000E+01 volume  0.12554E-02 ppm1      8.941 ppm2      0.604 CV     1
 OR {  669}
   (( segid " 1SG" and resid 58   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI {  670}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 3    and name HD1 ))
      4.000     2.000     2.000 peak   670 spectrum    1 weight  0.10000E+01 volume  0.12485E-02 ppm1      8.118 ppm2      3.845 CV     1
 OR {  670}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 3    and name HD2 ))
 ASSI {  672}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 93   and name HA  ))
      3.400     1.500     1.500 peak   672 spectrum    1 weight  0.10000E+01 volume  0.12451E-02 ppm1      8.375 ppm2      4.772 CV     1
 ASSI {  673}
   (( segid " 1SG" and resid 25   and name HN  ))
   (  segid " 1SG" and resid 24   and name HD% )
      3.500     1.500     1.500 peak   673 spectrum    1 weight  0.10000E+01 volume  0.12436E-02 ppm1      8.400 ppm2      6.932 CV     1
 ASSI {  676}
   (( segid " 1SG" and resid 68   and name HN  ))
   (( segid " 1SG" and resid 67   and name HA  ))
      3.400     1.500     1.500 peak   676 spectrum    1 weight  0.10000E+01 volume  0.12379E-02 ppm1      7.874 ppm2      4.297 CV     1
 ASSI {  678}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 107  and name HD2 ))
      3.200     1.300     1.300 peak   678 spectrum    1 weight  0.10000E+01 volume  0.12360E-02 ppm1      8.821 ppm2      6.922 CV     1
 ASSI {  679}
   (( segid " 1SG" and resid 8    and name HN  ))
   (( segid " 1SG" and resid 8    and name HB  ))
      3.100     1.200     1.200 peak   679 spectrum    1 weight  0.10000E+01 volume  0.12330E-02 ppm1      9.052 ppm2      1.821 CV     1
 ASSI {  680}
   (( segid " 1SG" and resid 77   and name HN  ))
   (( segid " 1SG" and resid 77   and name HB  ))
      3.600     1.600     1.600 peak   680 spectrum    1 weight  0.10000E+01 volume  0.12322E-02 ppm1      8.717 ppm2      4.008 CV     1
 ASSI {  681}
   (( segid " 1SG" and resid 23   and name HN  ))
   (( segid " 1SG" and resid 23   and name HA  ))
      3.200     1.200     1.200 peak   681 spectrum    1 weight  0.10000E+01 volume  0.12303E-02 ppm1      7.913 ppm2      5.100 CV     1
 ASSI {  682}
   (( segid " 1SG" and resid 100  and name HN  ))
   (( segid " 1SG" and resid 90   and name HA  ))
      3.500     1.500     1.500 peak   682 spectrum    1 weight  0.10000E+01 volume  0.12292E-02 ppm1      8.897 ppm2      4.788 CV     1
 ASSI {  683}
   (( segid " 1SG" and resid 76   and name HN  ))
   (( segid " 1SG" and resid 75   and name HB1 ))
      3.900     1.900     1.900 peak   683 spectrum    1 weight  0.10000E+01 volume  0.12276E-02 ppm1      8.925 ppm2      2.891 CV     1
 OR {  683}
   (( segid " 1SG" and resid 76   and name HN  ))
   (( segid " 1SG" and resid 75   and name HB2 ))
 ASSI {  684}
   (( segid " 1SG" and resid 102  and name HN  ))
   (( segid " 1SG" and resid 102  and name HA  ))
      3.200     1.300     1.300 peak   684 spectrum    1 weight  0.10000E+01 volume  0.12266E-02 ppm1      8.557 ppm2      4.989 CV     1
 ASSI {  686}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 49   and name HB2 ))
      2.800     2.800     3.200 peak   686 spectrum    1 weight  0.10000E+01 volume  0.12250E-02 ppm1      7.786 ppm2      1.548 CV     1
 ASSI {  690}
   (( segid " 1SG" and resid 64   and name HN  ))
   (( segid " 1SG" and resid 69   and name HN  ))
      3.200     1.300     1.300 peak   690 spectrum    1 weight  0.10000E+01 volume  0.12154E-02 ppm1      7.751 ppm2      6.898 CV     1
 ASSI {  691}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 33   and name HA  ))
      4.200     2.200     1.800 peak   691 spectrum    1 weight  0.10000E+01 volume  0.12147E-02 ppm1      7.509 ppm2      4.450 CV     1
 ASSI {  694}
   (( segid " 1SG" and resid 74   and name HN  ))
   (  segid " 1SG" and resid 23   and name HG2%)
      3.400     1.500     1.500 peak   694 spectrum    1 weight  0.10000E+01 volume  0.12095E-02 ppm1      8.470 ppm2      0.765 CV     1
 ASSI {  696}
   (( segid " 1SG" and resid 68   and name HN  ))
   (( segid " 1SG" and resid 65   and name HA  ))
      3.000     1.200     1.200 peak   696 spectrum    1 weight  0.10000E+01 volume  0.12039E-02 ppm1      7.878 ppm2      3.451 CV     1
 ASSI {  698}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 45   and name HB2 ))
      3.400     1.400     1.400 peak   698 spectrum    1 weight  0.10000E+01 volume  0.11966E-02 ppm1     10.115 ppm2      0.595 CV     1
 OR {  698}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 45   and name HG2 ))
 ASSI {  699}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 38   and name HB  ))
      3.900     1.900     1.900 peak   699 spectrum    1 weight  0.10000E+01 volume  0.11936E-02 ppm1      7.893 ppm2      1.891 CV     1
 ASSI {  700}
   (( segid " 1SG" and resid 26   and name HN  ))
   (( segid " 1SG" and resid 26   and name HA  ))
      3.100     1.200     1.200 peak   700 spectrum    1 weight  0.10000E+01 volume  0.11909E-02 ppm1      9.494 ppm2      4.916 CV     1
 ASSI {  701}
   (( segid " 1SG" and resid 106  and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      4.000     2.000     2.000 peak   701 spectrum    1 weight  0.10000E+01 volume  0.11904E-02 ppm1      8.148 ppm2      0.372 CV     1
 ASSI {  702}
   (( segid " 1SG" and resid 50   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD1%)
      3.600     1.600     1.600 peak   702 spectrum    1 weight  0.10000E+01 volume  0.11902E-02 ppm1      8.941 ppm2      0.855 CV     1
 ASSI {  703}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 21   and name HA  ))
      2.800     0.900     0.900 peak   703 spectrum    1 weight  0.10000E+01 volume  0.11902E-02 ppm1      8.053 ppm2      5.494 CV     1
 ASSI {  704}
   (( segid " 1SG" and resid 38   and name HN  ))
   (  segid " 1SG" and resid 93   and name HG2%)
      3.700     1.700     1.700 peak   704 spectrum    1 weight  0.10000E+01 volume  0.11884E-02 ppm1      8.372 ppm2      1.022 CV     1
 ASSI {  706}
   (( segid " 1SG" and resid 87   and name HN  ))
   (( segid " 1SG" and resid 103  and name HA  ))
      3.300     1.400     1.400 peak   706 spectrum    1 weight  0.10000E+01 volume  0.11865E-02 ppm1      9.115 ppm2      5.535 CV     1
 ASSI {  707}
   (( segid " 1SG" and resid 33   and name HN  ))
   (( segid " 1SG" and resid 33   and name HB2 ))
      3.700     1.700     1.700 peak   707 spectrum    1 weight  0.10000E+01 volume  0.11843E-02 ppm1      7.611 ppm2      1.718 CV     1
 ASSI {  708}
   (( segid " 1SG" and resid 71   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD2%)
      4.400     2.400     1.600 peak   708 spectrum    1 weight  0.10000E+01 volume  0.11830E-02 ppm1      8.723 ppm2      0.733 CV     1
 ASSI {  709}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 27   and name HB1 ))
      3.200     1.300     1.300 peak   709 spectrum    1 weight  0.10000E+01 volume  0.11823E-02 ppm1      7.888 ppm2      1.570 CV     1
 OR {  709}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 27   and name HB2 ))
 ASSI {  710}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 72   and name HA  ))
      3.600     1.600     1.600 peak   710 spectrum    1 weight  0.10000E+01 volume  0.11794E-02 ppm1      8.849 ppm2      5.367 CV     1
 ASSI {  711}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 24   and name HB2 ))
      3.100     1.200     1.200 peak   711 spectrum    1 weight  0.10000E+01 volume  0.11781E-02 ppm1      9.240 ppm2      2.394 CV     1
 ASSI {  712}
   (( segid " 1SG" and resid 19   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      4.200     2.200     1.800 peak   712 spectrum    1 weight  0.10000E+01 volume  0.11763E-02 ppm1      9.827 ppm2      0.372 CV     1
 ASSI {  713}
   (( segid " 1SG" and resid 72   and name HN  ))
   (( segid " 1SG" and resid 72   and name HB2 ))
      2.800     1.000     1.000 peak   713 spectrum    1 weight  0.10000E+01 volume  0.11751E-02 ppm1      9.295 ppm2      2.892 CV     1
 ASSI {  715}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 49   and name HA  ))
      3.300     1.400     1.400 peak   715 spectrum    1 weight  0.10000E+01 volume  0.11747E-02 ppm1      8.940 ppm2      3.867 CV     1
 ASSI {  716}
   (( segid " 1SG" and resid 42   and name HN  ))
   (  segid " 1SG" and resid 42   and name HD% )
      4.100     2.100     1.900 peak   716 spectrum    1 weight  0.10000E+01 volume  0.11743E-02 ppm1      9.448 ppm2      6.695 CV     1
 ASSI {  718}
   (( segid " 1SG" and resid 85   and name HN  ))
   (( segid " 1SG" and resid 104  and name HN  ))
      3.200     1.300     1.300 peak   718 spectrum    1 weight  0.10000E+01 volume  0.11714E-02 ppm1      9.408 ppm2      8.792 CV     1
 ASSI {  720}
   (( segid " 1SG" and resid 54   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
      3.800     1.800     1.800 peak   720 spectrum    1 weight  0.10000E+01 volume  0.11638E-02 ppm1      9.023 ppm2      0.598 CV     1
 OR {  720}
   (( segid " 1SG" and resid 54   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI {  725}
   (( segid " 1SG" and resid 74   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD2%)
      3.400     1.500     1.500 peak   725 spectrum    1 weight  0.10000E+01 volume  0.11602E-02 ppm1      8.471 ppm2      0.409 CV     1
 OR {  725}
   (( segid " 1SG" and resid 74   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI {  728}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (  segid " 1SG" and resid 72   and name HD% )
      3.200     1.300     1.300 peak   728 spectrum    1 weight  0.10000E+01 volume  0.11489E-02 ppm1     10.780 ppm2      7.306 CV     1
 ASSI {  729}
   (( segid " 1SG" and resid 44   and name HN  ))
   (  segid " 1SG" and resid 47   and name HG1%)
      4.100     2.100     1.900 peak   729 spectrum    1 weight  0.10000E+01 volume  0.11451E-02 ppm1      8.212 ppm2      0.992 CV     1
 ASSI {  730}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 107  and name HN  ))
      3.800     1.800     1.800 peak   730 spectrum    1 weight  0.10000E+01 volume  0.11418E-02 ppm1      8.563 ppm2      8.822 CV     1
 ASSI {  731}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (  segid " 1SG" and resid 59   and name HD1%)
      3.800     1.800     1.800 peak   731 spectrum    1 weight  0.10000E+01 volume  0.11411E-02 ppm1     10.780 ppm2      0.855 CV     1
 ASSI {  732}
   (( segid " 1SG" and resid 6    and name HN  ))
   (( segid " 1SG" and resid 7    and name HN  ))
      3.300     1.400     1.400 peak   732 spectrum    1 weight  0.10000E+01 volume  0.11396E-02 ppm1      8.450 ppm2      8.878 CV     1
 ASSI {  733}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 103  and name HB2 ))
      3.500     1.600     1.600 peak   733 spectrum    1 weight  0.10000E+01 volume  0.11386E-02 ppm1      8.794 ppm2      2.502 CV     1
 ASSI {  734}
   (( segid " 1SG" and resid 49   and name HN  ))
   (  segid " 1SG" and resid 49   and name HD2%)
      4.100     2.100     1.900 peak   734 spectrum    1 weight  0.10000E+01 volume  0.11314E-02 ppm1      9.288 ppm2      1.014 CV     1
 ASSI {  735}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (( segid " 1SG" and resid 72   and name HB2 ))
      3.500     1.500     1.500 peak   735 spectrum    1 weight  0.10000E+01 volume  0.11308E-02 ppm1     10.779 ppm2      2.895 CV     1
 ASSI {  736}
   (( segid " 1SG" and resid 19   and name HN  ))
   (( segid " 1SG" and resid 18   and name HB  ))
      3.900     2.000     2.000 peak   736 spectrum    1 weight  0.10000E+01 volume  0.11292E-02 ppm1      9.827 ppm2      1.919 CV     1
 ASSI {  737}
   (( segid " 1SG" and resid 63   and name HN  ))
   (  segid " 1SG" and resid 63   and name HD% )
      3.600     1.600     1.600 peak   737 spectrum    1 weight  0.10000E+01 volume  0.11245E-02 ppm1      8.518 ppm2      5.900 CV     1
 ASSI {  742}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 15   and name HG2 ))
      4.400     2.500     1.600 peak   742 spectrum    1 weight  0.10000E+01 volume  0.11155E-02 ppm1      8.593 ppm2      2.271 CV     1
 OR {  742}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 15   and name HG1 ))
 ASSI {  745}
   (( segid " 1SG" and resid 53   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
      3.500     1.600     1.600 peak   745 spectrum    1 weight  0.10000E+01 volume  0.11046E-02 ppm1      6.764 ppm2      0.597 CV     1
 OR {  745}
   (( segid " 1SG" and resid 53   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI {  746}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 3    and name HB2 ))
      4.300     2.300     1.700 peak   746 spectrum    1 weight  0.10000E+01 volume  0.11041E-02 ppm1      8.263 ppm2      2.285 CV     1
 OR {  746}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 3    and name HB1 ))
 ASSI {  747}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 49   and name HA  ))
      3.200     1.300     1.300 peak   747 spectrum    1 weight  0.10000E+01 volume  0.11032E-02 ppm1      7.785 ppm2      3.862 CV     1
 ASSI {  748}
   (( segid " 1SG" and resid 73   and name HN  ))
   (  segid " 1SG" and resid 72   and name HD% )
      4.200     2.200     1.800 peak   748 spectrum    1 weight  0.10000E+01 volume  0.11032E-02 ppm1      9.449 ppm2      7.306 CV     1
 ASSI {  751}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 18   and name HN  ))
      3.600     1.600     1.600 peak   751 spectrum    1 weight  0.10000E+01 volume  0.10994E-02 ppm1      8.821 ppm2      8.005 CV     1
 ASSI {  753}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 25   and name HA  ))
      3.100     1.200     1.200 peak   753 spectrum    1 weight  0.10000E+01 volume  0.10954E-02 ppm1      8.399 ppm2      5.688 CV     1
 ASSI {  754}
   (( segid " 1SG" and resid 31   and name HN  ))
   (( segid " 1SG" and resid 31   and name HA  ))
      3.100     1.200     1.200 peak   754 spectrum    1 weight  0.10000E+01 volume  0.10950E-02 ppm1      8.418 ppm2      4.164 CV     1
 ASSI {  755}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 22   and name HB  ))
      3.400     1.400     1.400 peak   755 spectrum    1 weight  0.10000E+01 volume  0.10941E-02 ppm1      8.887 ppm2      1.514 CV     1
 ASSI {  758}
   (( segid " 1SG" and resid 57   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
      3.900     1.900     1.900 peak   758 spectrum    1 weight  0.10000E+01 volume  0.10912E-02 ppm1      7.199 ppm2      0.601 CV     1
 OR {  758}
   (( segid " 1SG" and resid 57   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI {  759}
   (( segid " 1SG" and resid 83   and name HN  ))
   (  segid " 1SG" and resid 104  and name HD2%)
      4.300     2.300     1.700 peak   759 spectrum    1 weight  0.10000E+01 volume  0.10885E-02 ppm1      8.256 ppm2      0.808 CV     1
 ASSI {  760}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 9    and name HB2 ))
      3.800     1.800     1.800 peak   760 spectrum    1 weight  0.10000E+01 volume  0.10857E-02 ppm1      8.888 ppm2      1.892 CV     1
 ASSI {  762}
   (( segid " 1SG" and resid 68   and name HN  ))
   (  segid " 1SG" and resid 66   and name HB% )
      2.900     2.900     3.100 peak   762 spectrum    1 weight  0.10000E+01 volume  0.10785E-02 ppm1      7.875 ppm2      1.403 CV     1
 ASSI {  764}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 74   and name HB2 ))
      2.900     1.000     1.000 peak   764 spectrum    1 weight  0.10000E+01 volume  0.10753E-02 ppm1      8.470 ppm2     -0.840 CV     1
 ASSI {  765}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 8    and name HA  ))
      3.600     1.600     1.600 peak   765 spectrum    1 weight  0.10000E+01 volume  0.10753E-02 ppm1      7.888 ppm2      4.174 CV     1
 ASSI {  767}
   (( segid " 1SG" and resid 91   and name HN  ))
   (( segid " 1SG" and resid 91   and name HB  ))
      3.300     1.400     1.400 peak   767 spectrum    1 weight  0.10000E+01 volume  0.10694E-02 ppm1      8.474 ppm2      1.131 CV     1
 ASSI {  770}
   (( segid " 1SG" and resid 102  and name HN  ))
   (( segid " 1SG" and resid 88   and name HA  ))
      3.400     1.500     1.500 peak   770 spectrum    1 weight  0.10000E+01 volume  0.10622E-02 ppm1      8.557 ppm2      5.305 CV     1
 ASSI {  771}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 57   and name HG  ))
      4.100     2.100     1.900 peak   771 spectrum    1 weight  0.10000E+01 volume  0.10617E-02 ppm1      7.198 ppm2      0.750 CV     1
 ASSI {  772}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 73   and name HA  ))
      3.100     1.200     1.200 peak   772 spectrum    1 weight  0.10000E+01 volume  0.10614E-02 ppm1      9.448 ppm2      5.466 CV     1
 ASSI {  773}
   (( segid " 1SG" and resid 6    and name HN  ))
   (( segid " 1SG" and resid 6    and name HA  ))
      3.200     1.300     1.300 peak   773 spectrum    1 weight  0.10000E+01 volume  0.10601E-02 ppm1      8.450 ppm2      4.448 CV     1
 ASSI {  774}
   (( segid " 1SG" and resid 12   and name HE21))
   (( segid " 1SG" and resid 12   and name HA  ))
      3.000     1.200     1.200 peak   774 spectrum    1 weight  0.10000E+01 volume  0.10601E-02 ppm1      7.451 ppm2      4.687 CV     1
 ASSI {  775}
   (( segid " 1SG" and resid 10   and name HN  ))
   (( segid " 1SG" and resid 10   and name HB2 ))
      3.500     1.500     1.500 peak   775 spectrum    1 weight  0.10000E+01 volume  0.10587E-02 ppm1      8.853 ppm2      1.250 CV     1
 ASSI {  777}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 94   and name HG2 ))
      3.200     1.200     1.200 peak   777 spectrum    1 weight  0.10000E+01 volume  0.10560E-02 ppm1      7.971 ppm2      1.402 CV     1
 OR {  777}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 94   and name HG1 ))
 ASSI {  778}
   (( segid " 1SG" and resid 75   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
      3.500     1.600     1.600 peak   778 spectrum    1 weight  0.10000E+01 volume  0.10545E-02 ppm1      9.152 ppm2      0.609 CV     1
 OR {  778}
   (( segid " 1SG" and resid 75   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI {  779}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 49   and name HA  ))
      3.100     1.200     1.200 peak   779 spectrum    1 weight  0.10000E+01 volume  0.10524E-02 ppm1      9.288 ppm2      3.859 CV     1
 ASSI {  783}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 56   and name HB2 ))
      3.600     1.700     1.700 peak   783 spectrum    1 weight  0.10000E+01 volume  0.10500E-02 ppm1      7.198 ppm2      3.101 CV     1
 ASSI {  789}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 97   and name HB2 ))
      3.500     1.500     1.500 peak   789 spectrum    1 weight  0.10000E+01 volume  0.10402E-02 ppm1      7.545 ppm2      2.672 CV     1
 ASSI {  790}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 104  and name HA  ))
      3.200     1.300     1.300 peak   790 spectrum    1 weight  0.10000E+01 volume  0.10388E-02 ppm1      8.792 ppm2      5.431 CV     1
 ASSI {  791}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 53   and name HN  ))
      3.800     1.800     1.800 peak   791 spectrum    1 weight  0.10000E+01 volume  0.10380E-02 ppm1      9.018 ppm2      6.764 CV     1
 ASSI {  792}
   (( segid " 1SG" and resid 104  and name HN  ))
   (  segid " 1SG" and resid 87   and name HE% )
      3.600     1.600     1.600 peak   792 spectrum    1 weight  0.10000E+01 volume  0.10370E-02 ppm1      8.791 ppm2      6.590 CV     1
 ASSI {  794}
   (( segid " 1SG" and resid 84   and name HN  ))
   (( segid " 1SG" and resid 85   and name HN  ))
      3.700     1.700     1.700 peak   794 spectrum    1 weight  0.10000E+01 volume  0.10346E-02 ppm1      7.865 ppm2      9.407 CV     1
 ASSI {  799}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (  segid " 1SG" and resid 39   and name HG2%)
      3.700     1.700     1.700 peak   799 spectrum    1 weight  0.10000E+01 volume  0.10247E-02 ppm1     10.779 ppm2     -0.462 CV     1
 ASSI {  802}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 103  and name HA  ))
      3.100     1.200     1.200 peak   802 spectrum    1 weight  0.10000E+01 volume  0.10188E-02 ppm1      9.242 ppm2      5.536 CV     1
 ASSI {  803}
   (( segid " 1SG" and resid 8    and name HN  ))
   (( segid " 1SG" and resid 8    and name HA  ))
      3.300     1.400     1.400 peak   803 spectrum    1 weight  0.10000E+01 volume  0.10136E-02 ppm1      9.052 ppm2      4.174 CV     1
 ASSI {  805}
   (( segid " 1SG" and resid 30   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG2%)
      4.300     2.300     1.700 peak   805 spectrum    1 weight  0.10000E+01 volume  0.10111E-02 ppm1      8.593 ppm2      0.934 CV     1
 OR {  805}
   (( segid " 1SG" and resid 30   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG1%)
 ASSI {  807}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 57   and name HG  ))
      3.900     1.900     1.900 peak   807 spectrum    1 weight  0.10000E+01 volume  0.10048E-02 ppm1      8.941 ppm2      0.750 CV     1
 ASSI {  808}
   (( segid " 1SG" and resid 80   and name HE22))
   (  segid " 1SG" and resid 18   and name HG1%)
      4.800     2.900     1.200 peak   808 spectrum    1 weight  0.10000E+01 volume  0.10043E-02 ppm1      6.644 ppm2      0.986 CV     1
 ASSI {  810}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 59   and name HA  ))
      3.800     1.800     1.800 peak   810 spectrum    1 weight  0.10000E+01 volume  0.99936E-03 ppm1      9.150 ppm2      5.181 CV     1
 ASSI {  811}
   (( segid " 1SG" and resid 93   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.400     1.400     1.400 peak   811 spectrum    1 weight  0.10000E+01 volume  0.99829E-03 ppm1      8.558 ppm2      0.475 CV     1
 ASSI {  812}
   (( segid " 1SG" and resid 19   and name HN  ))
   (( segid " 1SG" and resid 78   and name HA  ))
      3.600     1.600     1.600 peak   812 spectrum    1 weight  0.10000E+01 volume  0.99772E-03 ppm1      9.829 ppm2      4.106 CV     1
 ASSI {  813}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 38   and name HB  ))
      3.300     1.400     1.400 peak   813 spectrum    1 weight  0.10000E+01 volume  0.99651E-03 ppm1      8.735 ppm2      1.891 CV     1
 ASSI {  814}
   (( segid " 1SG" and resid 43   and name HN  ))
   (  segid " 1SG" and resid 49   and name HD1%)
      3.800     1.800     1.800 peak   814 spectrum    1 weight  0.10000E+01 volume  0.99630E-03 ppm1      8.631 ppm2      1.759 CV     1
 ASSI {  815}
   (( segid " 1SG" and resid 6    and name HN  ))
   (( segid " 1SG" and resid 5    and name HA1 ))
      3.400     1.500     1.500 peak   815 spectrum    1 weight  0.10000E+01 volume  0.99523E-03 ppm1      8.450 ppm2      3.861 CV     1
 OR {  815}
   (( segid " 1SG" and resid 6    and name HN  ))
   (( segid " 1SG" and resid 5    and name HA2 ))
 ASSI {  816}
   (( segid " 1SG" and resid 26   and name HN  ))
   (( segid " 1SG" and resid 72   and name HN  ))
      3.300     1.300     1.300 peak   816 spectrum    1 weight  0.10000E+01 volume  0.99387E-03 ppm1      9.497 ppm2      9.294 CV     1
 ASSI {  817}
   (( segid " 1SG" and resid 46   and name HN  ))
   (( segid " 1SG" and resid 45   and name HA  ))
      3.300     1.400     1.400 peak   817 spectrum    1 weight  0.10000E+01 volume  0.99366E-03 ppm1      8.215 ppm2      3.494 CV     1
 ASSI {  819}
   (( segid " 1SG" and resid 47   and name HN  ))
   (  segid " 1SG" and resid 42   and name HD% )
      3.500     1.500     1.500 peak   819 spectrum    1 weight  0.10000E+01 volume  0.99188E-03 ppm1      7.293 ppm2      6.695 CV     1
 ASSI {  820}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 49   and name HB2 ))
      2.800     1.000     1.000 peak   820 spectrum    1 weight  0.10000E+01 volume  0.98988E-03 ppm1      9.288 ppm2      1.557 CV     1
 ASSI {  822}
   (( segid " 1SG" and resid 29   and name HN  ))
   (( segid " 1SG" and resid 7    and name HA  ))
      3.800     1.800     1.800 peak   822 spectrum    1 weight  0.10000E+01 volume  0.98268E-03 ppm1      8.855 ppm2      4.626 CV     1
 ASSI {  823}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 74   and name HN  ))
      3.300     1.400     1.400 peak   823 spectrum    1 weight  0.10000E+01 volume  0.98247E-03 ppm1      9.240 ppm2      8.469 CV     1
 ASSI {  825}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 40   and name HG1 ))
      4.400     2.500     1.600 peak   825 spectrum    1 weight  0.10000E+01 volume  0.98140E-03 ppm1      9.308 ppm2      1.241 CV     1
 OR {  825}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 40   and name HG2 ))
 ASSI {  827}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 9    and name HN  ))
      3.400     1.400     1.400 peak   827 spectrum    1 weight  0.10000E+01 volume  0.97969E-03 ppm1      8.888 ppm2      7.891 CV     1
 ASSI {  828}
   (( segid " 1SG" and resid 58   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD2%)
      4.100     2.200     1.900 peak   828 spectrum    1 weight  0.10000E+01 volume  0.97841E-03 ppm1      8.945 ppm2      0.402 CV     1
 OR {  828}
   (( segid " 1SG" and resid 58   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI {  829}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 42   and name HA  ))
      3.100     1.200     1.200 peak   829 spectrum    1 weight  0.10000E+01 volume  0.97748E-03 ppm1      9.289 ppm2      5.784 CV     1
 ASSI {  830}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 78   and name HB2 ))
      4.600     2.600     1.400 peak   830 spectrum    1 weight  0.10000E+01 volume  0.97484E-03 ppm1      8.973 ppm2      2.375 CV     1
 ASSI {  831}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB2 ))
      3.900     1.900     1.900 peak   831 spectrum    1 weight  0.10000E+01 volume  0.97477E-03 ppm1      8.941 ppm2      1.687 CV     1
 OR {  831}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB1 ))
 ASSI {  832}
   (( segid " 1SG" and resid 70   and name HN  ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      3.100     1.200     1.200 peak   832 spectrum    1 weight  0.10000E+01 volume  0.97406E-03 ppm1      9.273 ppm2      2.816 CV     1
 ASSI {  833}
   (( segid " 1SG" and resid 87   and name HN  ))
   (( segid " 1SG" and resid 87   and name HB2 ))
      3.100     1.200     1.200 peak   833 spectrum    1 weight  0.10000E+01 volume  0.97164E-03 ppm1      9.112 ppm2      0.700 CV     1
 ASSI {  834}
   (( segid " 1SG" and resid 5    and name HN  ))
   (  segid " 1SG" and resid 4    and name HG2%)
      3.300     1.400     1.400 peak   834 spectrum    1 weight  0.10000E+01 volume  0.97092E-03 ppm1      8.145 ppm2      0.907 CV     1
 ASSI {  838}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 64   and name HB2 ))
      4.300     2.300     1.700 peak   838 spectrum    1 weight  0.10000E+01 volume  0.96650E-03 ppm1      8.307 ppm2      2.338 CV     1
 ASSI {  839}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 90   and name HN  ))
      3.300     1.300     1.300 peak   839 spectrum    1 weight  0.10000E+01 volume  0.96544E-03 ppm1      8.694 ppm2      9.477 CV     1
 ASSI {  840}
   (( segid " 1SG" and resid 92   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG2%)
      3.900     1.900     1.900 peak   840 spectrum    1 weight  0.10000E+01 volume  0.96451E-03 ppm1      8.735 ppm2     -0.459 CV     1
 ASSI {  843}
   (( segid " 1SG" and resid 7    and name HN  ))
   (( segid " 1SG" and resid 7    and name HB2 ))
      3.100     1.200     1.200 peak   843 spectrum    1 weight  0.10000E+01 volume  0.96066E-03 ppm1      8.878 ppm2      2.581 CV     1
 ASSI {  844}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 69   and name HN  ))
      4.000     2.000     2.000 peak   844 spectrum    1 weight  0.10000E+01 volume  0.95952E-03 ppm1      7.422 ppm2      6.897 CV     1
 ASSI {  845}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 72   and name HB2 ))
      4.100     2.100     1.900 peak   845 spectrum    1 weight  0.10000E+01 volume  0.95866E-03 ppm1      8.725 ppm2      2.890 CV     1
 ASSI {  847}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 4    and name HN  ))
      3.500     1.500     1.500 peak   847 spectrum    1 weight  0.10000E+01 volume  0.95539E-03 ppm1      8.112 ppm2      8.269 CV     1
 ASSI {  848}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 39   and name HB  ))
      3.900     1.900     1.900 peak   848 spectrum    1 weight  0.10000E+01 volume  0.95275E-03 ppm1      8.696 ppm2      0.582 CV     1
 ASSI {  852}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 71   and name HA  ))
      3.100     1.200     1.200 peak   852 spectrum    1 weight  0.10000E+01 volume  0.94455E-03 ppm1      8.722 ppm2      5.068 CV     1
 ASSI {  853}
   (( segid " 1SG" and resid 31   and name HN  ))
   (( segid " 1SG" and resid 30   and name HN  ))
      3.200     1.300     1.300 peak   853 spectrum    1 weight  0.10000E+01 volume  0.94427E-03 ppm1      8.414 ppm2      8.590 CV     1
 ASSI {  854}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 80   and name HN  ))
      3.900     1.900     1.900 peak   854 spectrum    1 weight  0.10000E+01 volume  0.94355E-03 ppm1      8.971 ppm2      5.576 CV     1
 ASSI {  857}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 50   and name HN  ))
      3.200     1.300     1.300 peak   857 spectrum    1 weight  0.10000E+01 volume  0.93921E-03 ppm1      9.289 ppm2      8.943 CV     1
 ASSI {  859}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 41   and name HA  ))
      3.200     1.300     1.300 peak   859 spectrum    1 weight  0.10000E+01 volume  0.93621E-03 ppm1      9.309 ppm2      5.470 CV     1
 ASSI {  860}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 73   and name HB2 ))
      3.500     1.500     1.500 peak   860 spectrum    1 weight  0.10000E+01 volume  0.93407E-03 ppm1      9.449 ppm2      1.556 CV     1
 ASSI {  861}
   (( segid " 1SG" and resid 20   and name HN  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      2.900     2.900     3.100 peak   861 spectrum    1 weight  0.10000E+01 volume  0.93308E-03 ppm1      8.825 ppm2      1.280 CV     1
 ASSI {  863}
   (( segid " 1SG" and resid 16   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      4.000     2.000     2.000 peak   863 spectrum    1 weight  0.10000E+01 volume  0.93151E-03 ppm1      8.593 ppm2      0.375 CV     1
 ASSI {  864}
   (( segid " 1SG" and resid 26   and name HN  ))
   (( segid " 1SG" and resid 73   and name HA  ))
      3.400     1.400     1.400 peak   864 spectrum    1 weight  0.10000E+01 volume  0.92944E-03 ppm1      9.497 ppm2      5.471 CV     1
 ASSI {  865}
   (( segid " 1SG" and resid 46   and name HN  ))
   (  segid " 1SG" and resid 47   and name HG1%)
      4.600     2.700     1.400 peak   865 spectrum    1 weight  0.10000E+01 volume  0.92908E-03 ppm1      8.216 ppm2      0.967 CV     1
 ASSI {  866}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 46   and name HA  ))
      3.600     1.600     1.600 peak   866 spectrum    1 weight  0.10000E+01 volume  0.92773E-03 ppm1      7.291 ppm2      4.989 CV     1
 ASSI {  872}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 52   and name HB2 ))
      4.200     2.200     1.800 peak   872 spectrum    1 weight  0.10000E+01 volume  0.92253E-03 ppm1      6.764 ppm2      1.716 CV     1
 ASSI {  873}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 76   and name HG12))
      4.200     2.200     1.800 peak   873 spectrum    1 weight  0.10000E+01 volume  0.92174E-03 ppm1      7.198 ppm2      1.092 CV     1
 ASSI {  874}
   (( segid " 1SG" and resid 71   and name HN  ))
   (  segid " 1SG" and resid 63   and name HD% )
      2.900     2.900     3.100 peak   874 spectrum    1 weight  0.10000E+01 volume  0.91946E-03 ppm1      8.724 ppm2      5.900 CV     1
 ASSI {  875}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 104  and name HB2 ))
      3.800     1.800     1.800 peak   875 spectrum    1 weight  0.10000E+01 volume  0.91889E-03 ppm1      8.793 ppm2      1.229 CV     1
 ASSI {  877}
   (( segid " 1SG" and resid 24   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD1%)
      4.200     2.300     1.800 peak   877 spectrum    1 weight  0.10000E+01 volume  0.91654E-03 ppm1      9.239 ppm2      0.410 CV     1
 OR {  877}
   (( segid " 1SG" and resid 24   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD2%)
 ASSI {  879}
   (( segid " 1SG" and resid 96   and name HN  ))
   (  segid " 1SG" and resid 93   and name HG2%)
      4.100     2.100     1.900 peak   879 spectrum    1 weight  0.10000E+01 volume  0.91397E-03 ppm1      7.548 ppm2      1.025 CV     1
 ASSI {  880}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 78   and name HA  ))
      3.500     1.600     1.600 peak   880 spectrum    1 weight  0.10000E+01 volume  0.91319E-03 ppm1      8.826 ppm2      4.088 CV     1
 ASSI {  881}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 41   and name HB2 ))
      2.900     1.100     1.100 peak   881 spectrum    1 weight  0.10000E+01 volume  0.91255E-03 ppm1      9.312 ppm2      3.155 CV     1
 ASSI {  885}
   (( segid " 1SG" and resid 86   and name HN  ))
   (( segid " 1SG" and resid 87   and name HN  ))
      3.600     1.600     1.600 peak   885 spectrum    1 weight  0.10000E+01 volume  0.90720E-03 ppm1      7.947 ppm2      9.112 CV     1
 ASSI {  888}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 105  and name HA  ))
      3.200     1.300     1.300 peak   888 spectrum    1 weight  0.10000E+01 volume  0.90506E-03 ppm1      8.397 ppm2      4.536 CV     1
 ASSI {  889}
   (( segid " 1SG" and resid 58   and name HE22))
   (  segid " 1SG" and resid 77   and name HG2%)
      3.500     1.500     1.500 peak   889 spectrum    1 weight  0.10000E+01 volume  0.90236E-03 ppm1      6.684 ppm2      1.034 CV     1
 ASSI {  890}
   (( segid " 1SG" and resid 58   and name HN  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      3.900     1.900     1.900 peak   890 spectrum    1 weight  0.10000E+01 volume  0.90164E-03 ppm1      8.939 ppm2      1.056 CV     1
 ASSI {  891}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 38   and name HN  ))
      3.900     1.900     1.900 peak   891 spectrum    1 weight  0.10000E+01 volume  0.90057E-03 ppm1      7.893 ppm2      8.374 CV     1
 ASSI {  892}
   (( segid " 1SG" and resid 14   and name HN  ))
   (  segid " 1SG" and resid 22   and name HD1%)
      4.200     2.200     1.800 peak   892 spectrum    1 weight  0.10000E+01 volume  0.90022E-03 ppm1      9.186 ppm2      0.528 CV     1
 ASSI {  894}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 28   and name HA  ))
      3.300     1.400     1.400 peak   894 spectrum    1 weight  0.10000E+01 volume  0.89787E-03 ppm1      9.673 ppm2      4.901 CV     1
 ASSI {  896}
   (( segid " 1SG" and resid 98   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.700     1.700     1.700 peak   896 spectrum    1 weight  0.10000E+01 volume  0.89751E-03 ppm1      8.417 ppm2      0.476 CV     1
 ASSI {  897}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 45   and name HA  ))
      4.400     2.400     1.600 peak   897 spectrum    1 weight  0.10000E+01 volume  0.89715E-03 ppm1      7.291 ppm2      3.498 CV     1
 ASSI {  899}
   (( segid " 1SG" and resid 80   and name HE21))
   (  segid " 1SG" and resid 18   and name HG1%)
      4.200     2.200     1.800 peak   899 spectrum    1 weight  0.10000E+01 volume  0.89623E-03 ppm1      6.984 ppm2      0.990 CV     1
 ASSI {  900}
   (( segid " 1SG" and resid 85   and name HN  ))
   (  segid " 1SG" and resid 87   and name HE% )
      3.500     1.500     1.500 peak   900 spectrum    1 weight  0.10000E+01 volume  0.89573E-03 ppm1      9.408 ppm2      6.590 CV     1
 ASSI {  902}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 14   and name HN  ))
      3.900     1.900     1.900 peak   902 spectrum    1 weight  0.10000E+01 volume  0.89480E-03 ppm1      8.503 ppm2      9.185 CV     1
 ASSI {  905}
   (( segid " 1SG" and resid 8    and name HN  ))
   (( segid " 1SG" and resid 28   and name HA  ))
      3.300     1.400     1.400 peak   905 spectrum    1 weight  0.10000E+01 volume  0.89209E-03 ppm1      9.051 ppm2      4.900 CV     1
 ASSI {  906}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 61   and name HN  ))
      4.100     2.100     1.900 peak   906 spectrum    1 weight  0.10000E+01 volume  0.89109E-03 ppm1      8.846 ppm2      8.182 CV     1
 ASSI {  907}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 68   and name HG1 ))
      4.000     2.000     2.000 peak   907 spectrum    1 weight  0.10000E+01 volume  0.89109E-03 ppm1      6.897 ppm2      1.262 CV     1
 OR {  907}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 68   and name HG2 ))
 ASSI {  911}
   (( segid " 1SG" and resid 7    and name HN  ))
   (( segid " 1SG" and resid 7    and name HA  ))
      3.400     1.500     1.500 peak   911 spectrum    1 weight  0.10000E+01 volume  0.88454E-03 ppm1      8.874 ppm2      4.632 CV     1
 ASSI {  913}
   (( segid " 1SG" and resid 100  and name HN  ))
   (( segid " 1SG" and resid 90   and name HB2 ))
      3.700     3.700     2.300 peak   913 spectrum    1 weight  0.10000E+01 volume  0.88190E-03 ppm1      8.888 ppm2      2.040 CV     1
 ASSI {  914}
   (( segid " 1SG" and resid 100  and name HN  ))
   (( segid " 1SG" and resid 99   and name HB2 ))
      3.400     1.500     1.500 peak   914 spectrum    1 weight  0.10000E+01 volume  0.87976E-03 ppm1      8.896 ppm2      2.735 CV     1
 ASSI {  915}
   (( segid " 1SG" and resid 68   and name HN  ))
   (( segid " 1SG" and resid 67   and name HB2 ))
      3.900     1.900     1.900 peak   915 spectrum    1 weight  0.10000E+01 volume  0.87741E-03 ppm1      7.872 ppm2      3.727 CV     1
 OR {  915}
   (( segid " 1SG" and resid 68   and name HN  ))
   (( segid " 1SG" and resid 67   and name HB1 ))
 ASSI {  916}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 36   and name HD2 ))
      4.300     2.300     1.700 peak   916 spectrum    1 weight  0.10000E+01 volume  0.87606E-03 ppm1      7.511 ppm2      3.495 CV     1
 ASSI {  919}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 103  and name HD22))
      3.800     1.800     1.800 peak   919 spectrum    1 weight  0.10000E+01 volume  0.87306E-03 ppm1      9.241 ppm2      6.759 CV     1
 ASSI {  920}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 16   and name HN  ))
      3.900     1.900     1.900 peak   920 spectrum    1 weight  0.10000E+01 volume  0.87285E-03 ppm1      8.401 ppm2      8.591 CV     1
 ASSI {  922}
   (( segid " 1SG" and resid 84   and name HN  ))
   (( segid " 1SG" and resid 106  and name HB  ))
      4.200     2.200     1.800 peak   922 spectrum    1 weight  0.10000E+01 volume  0.87071E-03 ppm1      7.867 ppm2      1.848 CV     1
 ASSI {  929}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 62   and name HB2 ))
      3.400     1.400     1.400 peak   929 spectrum    1 weight  0.10000E+01 volume  0.86558E-03 ppm1      8.847 ppm2      3.809 CV     1
 ASSI {  930}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 43   and name HN  ))
      3.300     1.400     1.400 peak   930 spectrum    1 weight  0.10000E+01 volume  0.86479E-03 ppm1      7.291 ppm2      8.632 CV     1
 ASSI {  931}
   (( segid " 1SG" and resid 59   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
      3.600     1.600     1.600 peak   931 spectrum    1 weight  0.10000E+01 volume  0.86451E-03 ppm1      8.380 ppm2      0.601 CV     1
 OR {  931}
   (( segid " 1SG" and resid 59   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI {  939}
   (( segid " 1SG" and resid 84   and name HN  ))
   (( segid " 1SG" and resid 81   and name HA  ))
      4.300     2.300     1.700 peak   939 spectrum    1 weight  0.10000E+01 volume  0.85781E-03 ppm1      7.866 ppm2      3.996 CV     1
 ASSI {  940}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 96   and name HG1 ))
      3.600     1.700     1.700 peak   940 spectrum    1 weight  0.10000E+01 volume  0.85774E-03 ppm1      8.106 ppm2      1.324 CV     1
 OR {  940}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 96   and name HG2 ))
 ASSI {  941}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 25   and name HA  ))
      3.600     1.700     1.700 peak   941 spectrum    1 weight  0.10000E+01 volume  0.85702E-03 ppm1      8.472 ppm2      5.686 CV     1
 ASSI {  943}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 43   and name HG2 ))
      3.300     1.400     1.400 peak   943 spectrum    1 weight  0.10000E+01 volume  0.85211E-03 ppm1      8.211 ppm2      0.071 CV     1
 ASSI {  944}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 59   and name HN  ))
      3.700     1.700     1.700 peak   944 spectrum    1 weight  0.10000E+01 volume  0.84712E-03 ppm1      8.685 ppm2      8.389 CV     1
 ASSI {  946}
   (( segid " 1SG" and resid 90   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG2%)
      4.100     2.100     1.900 peak   946 spectrum    1 weight  0.10000E+01 volume  0.84163E-03 ppm1      9.489 ppm2     -0.473 CV     1
 ASSI {  947}
   (( segid " 1SG" and resid 23   and name HN  ))
   (( segid " 1SG" and resid 22   and name HN  ))
      3.700     1.800     1.800 peak   947 spectrum    1 weight  0.10000E+01 volume  0.83970E-03 ppm1      7.911 ppm2      8.899 CV     1
 ASSI {  951}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 73   and name HB2 ))
      3.700     1.700     1.700 peak   951 spectrum    1 weight  0.10000E+01 volume  0.83507E-03 ppm1      8.467 ppm2      1.552 CV     1
 ASSI {  952}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 72   and name HB2 ))
      4.000     2.000     2.000 peak   952 spectrum    1 weight  0.10000E+01 volume  0.83407E-03 ppm1      8.896 ppm2      2.884 CV     1
 ASSI {  953}
   (( segid " 1SG" and resid 82   and name HN  ))
   (( segid " 1SG" and resid 82   and name HA  ))
      3.600     1.600     1.600 peak   953 spectrum    1 weight  0.10000E+01 volume  0.83372E-03 ppm1      8.017 ppm2      4.202 CV     1
 ASSI {  955}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 91   and name HB  ))
      4.200     2.200     1.800 peak   955 spectrum    1 weight  0.10000E+01 volume  0.83279E-03 ppm1      8.733 ppm2      1.128 CV     1
 ASSI {  963}
   (( segid " 1SG" and resid 72   and name HN  ))
   (( segid " 1SG" and resid 72   and name HA  ))
      3.200     1.300     1.300 peak   963 spectrum    1 weight  0.10000E+01 volume  0.82381E-03 ppm1      9.295 ppm2      5.368 CV     1
 ASSI {  964}
   (( segid " 1SG" and resid 87   and name HN  ))
   (( segid " 1SG" and resid 87   and name HA  ))
      3.200     1.300     1.300 peak   964 spectrum    1 weight  0.10000E+01 volume  0.82260E-03 ppm1      9.110 ppm2      4.975 CV     1
 ASSI {  967}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 17   and name HN  ))
      4.100     2.100     1.900 peak   967 spectrum    1 weight  0.10000E+01 volume  0.81946E-03 ppm1      8.592 ppm2      7.900 CV     1
 ASSI {  968}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 40   and name HN  ))
      4.000     2.000     2.000 peak   968 spectrum    1 weight  0.10000E+01 volume  0.81732E-03 ppm1      7.893 ppm2      8.706 CV     1
 ASSI {  971}
   (( segid " 1SG" and resid 33   and name HN  ))
   (  segid " 1SG" and resid 33   and name HD1%)
      4.000     2.000     2.000 peak   971 spectrum    1 weight  0.10000E+01 volume  0.81483E-03 ppm1      7.611 ppm2      0.876 CV     1
 OR {  971}
   (( segid " 1SG" and resid 33   and name HN  ))
   (  segid " 1SG" and resid 33   and name HD2%)
 ASSI {  972}
   (( segid " 1SG" and resid 72   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD2%)
      4.800     2.900     1.200 peak   972 spectrum    1 weight  0.10000E+01 volume  0.81462E-03 ppm1      9.295 ppm2      0.738 CV     1
 ASSI {  973}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 104  and name HG  ))
      3.500     1.600     1.600 peak   973 spectrum    1 weight  0.10000E+01 volume  0.81433E-03 ppm1      8.401 ppm2      1.329 CV     1
 ASSI {  975}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 42   and name HN  ))
      3.300     1.400     1.400 peak   975 spectrum    1 weight  0.10000E+01 volume  0.81233E-03 ppm1      9.108 ppm2      9.450 CV     1
 ASSI {  976}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 74   and name HB2 ))
      4.200     2.200     1.800 peak   976 spectrum    1 weight  0.10000E+01 volume  0.81091E-03 ppm1      9.150 ppm2     -0.838 CV     1
 ASSI {  977}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 87   and name HB2 ))
      4.000     2.000     2.000 peak   977 spectrum    1 weight  0.10000E+01 volume  0.80670E-03 ppm1      9.107 ppm2      0.710 CV     1
 ASSI {  979}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 46   and name HB2 ))
      3.800     1.800     1.800 peak   979 spectrum    1 weight  0.10000E+01 volume  0.80285E-03 ppm1      7.292 ppm2      3.055 CV     1
 ASSI {  980}
   (( segid " 1SG" and resid 10   and name HN  ))
   (( segid " 1SG" and resid 9    and name HG2 ))
      4.000     2.000     2.000 peak   980 spectrum    1 weight  0.10000E+01 volume  0.80264E-03 ppm1      8.851 ppm2      2.507 CV     1
 ASSI {  984}
   (( segid " 1SG" and resid 107  and name HN  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      4.400     2.400     1.600 peak   984 spectrum    1 weight  0.10000E+01 volume  0.79658E-03 ppm1      8.820 ppm2      1.285 CV     1
 ASSI {  990}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 77   and name HN  ))
      4.000     2.000     2.000 peak   990 spectrum    1 weight  0.10000E+01 volume  0.79102E-03 ppm1      8.053 ppm2      8.718 CV     1
 ASSI {  991}
   (( segid " 1SG" and resid 97   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.900     1.900     1.900 peak   991 spectrum    1 weight  0.10000E+01 volume  0.79074E-03 ppm1      8.063 ppm2      0.474 CV     1
 ASSI {  992}
   (( segid " 1SG" and resid 90   and name HN  ))
   (( segid " 1SG" and resid 90   and name HB2 ))
      3.400     1.400     1.400 peak   992 spectrum    1 weight  0.10000E+01 volume  0.79045E-03 ppm1      9.489 ppm2      2.034 CV     1
 ASSI {  993}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 49   and name HG  ))
      4.100     2.100     1.900 peak   993 spectrum    1 weight  0.10000E+01 volume  0.79010E-03 ppm1      8.941 ppm2      0.789 CV     1
 ASSI {  994}
   (( segid " 1SG" and resid 22   and name HN  ))
   (  segid " 1SG" and resid 77   and name HG2%)
      4.000     2.000     2.000 peak   994 spectrum    1 weight  0.10000E+01 volume  0.78831E-03 ppm1      8.888 ppm2      1.018 CV     1
 ASSI {  996}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 43   and name HB2 ))
      3.700     1.700     1.700 peak   996 spectrum    1 weight  0.10000E+01 volume  0.78696E-03 ppm1      8.628 ppm2      1.216 CV     1
 ASSI {  997}
   (( segid " 1SG" and resid 20   and name HN  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      3.600     1.600     1.600 peak   997 spectrum    1 weight  0.10000E+01 volume  0.78618E-03 ppm1      8.825 ppm2      0.602 CV     1
 ASSI {  998}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 18   and name HA  ))
      3.900     1.900     1.900 peak   998 spectrum    1 weight  0.10000E+01 volume  0.78062E-03 ppm1      8.973 ppm2      3.481 CV     1
 ASSI { 1001}
   (( segid " 1SG" and resid 28   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG2%)
      4.000     2.000     2.000 peak  1001 spectrum    1 weight  0.10000E+01 volume  0.77784E-03 ppm1      9.673 ppm2      0.941 CV     1
 OR { 1001}
   (( segid " 1SG" and resid 28   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG1%)
 ASSI { 1002}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 2    and name HA  ))
      3.800     1.800     1.800 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.77670E-03 ppm1      8.264 ppm2      4.901 CV     1
 ASSI { 1003}
   (( segid " 1SG" and resid 105  and name HN  ))
   (  segid " 1SG" and resid 104  and name HD2%)
      4.100     2.100     1.900 peak  1003 spectrum    1 weight  0.10000E+01 volume  0.77050E-03 ppm1      8.399 ppm2      0.818 CV     1
 ASSI { 1004}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 57   and name HG  ))
      3.800     1.800     1.800 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.76993E-03 ppm1      6.764 ppm2      0.753 CV     1
 ASSI { 1008}
   (( segid " 1SG" and resid 78   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      4.000     2.000     2.000 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.76772E-03 ppm1      8.053 ppm2      1.176 CV     1
 ASSI { 1009}
   (( segid " 1SG" and resid 27   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG1%)
      4.400     2.400     1.600 peak  1009 spectrum    1 weight  0.10000E+01 volume  0.76757E-03 ppm1      8.893 ppm2      0.948 CV     1
 OR { 1009}
   (( segid " 1SG" and resid 27   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG2%)
 ASSI { 1010}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 61   and name HN  ))
      4.300     2.300     1.700 peak  1010 spectrum    1 weight  0.10000E+01 volume  0.76750E-03 ppm1      8.686 ppm2      8.184 CV     1
 ASSI { 1013}
   (( segid " 1SG" and resid 46   and name HN  ))
   (( segid " 1SG" and resid 46   and name HA  ))
      3.400     1.500     1.500 peak  1013 spectrum    1 weight  0.10000E+01 volume  0.76579E-03 ppm1      8.217 ppm2      4.976 CV     1
 ASSI { 1014}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 21   and name HN  ))
      4.100     2.100     1.900 peak  1014 spectrum    1 weight  0.10000E+01 volume  0.76536E-03 ppm1      8.891 ppm2      8.169 CV     1
 ASSI { 1015}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 74   and name HA  ))
      3.300     1.300     1.300 peak  1015 spectrum    1 weight  0.10000E+01 volume  0.76486E-03 ppm1      8.470 ppm2      4.333 CV     1
 ASSI { 1016}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (  segid " 1SG" and resid 47   and name HG1%)
      4.200     2.200     1.800 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.76372E-03 ppm1     10.115 ppm2      0.962 CV     1
 ASSI { 1017}
   (( segid " 1SG" and resid 38   and name HN  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      3.600     1.600     1.600 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.76116E-03 ppm1      8.375 ppm2      0.173 CV     1
 ASSI { 1018}
   (( segid " 1SG" and resid 98   and name HN  ))
   (  segid " 1SG" and resid 97   and name HD% )
      3.800     1.800     1.800 peak  1018 spectrum    1 weight  0.10000E+01 volume  0.75952E-03 ppm1      8.417 ppm2      7.087 CV     1
 ASSI { 1019}
   (( segid " 1SG" and resid 104  and name HN  ))
   (  segid " 1SG" and resid 104  and name HD2%)
      4.000     2.000     2.000 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.75724E-03 ppm1      8.795 ppm2      0.813 CV     1
 ASSI { 1020}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 57   and name HN  ))
      3.100     1.200     1.200 peak  1020 spectrum    1 weight  0.10000E+01 volume  0.75674E-03 ppm1      7.433 ppm2      7.207 CV     1
 ASSI { 1022}
   (( segid " 1SG" and resid 101  and name HN  ))
   (( segid " 1SG" and resid 101  and name HB2 ))
      4.000     2.000     2.000 peak  1022 spectrum    1 weight  0.10000E+01 volume  0.75531E-03 ppm1      9.044 ppm2      2.699 CV     1
 ASSI { 1026}
   (( segid " 1SG" and resid 91   and name HN  ))
   (( segid " 1SG" and resid 99   and name HA  ))
      3.700     1.700     1.700 peak  1026 spectrum    1 weight  0.10000E+01 volume  0.75118E-03 ppm1      8.474 ppm2      5.702 CV     1
 ASSI { 1027}
   (( segid " 1SG" and resid 18   and name HN  ))
   (( segid " 1SG" and resid 107  and name HB2 ))
      4.200     2.200     1.800 peak  1027 spectrum    1 weight  0.10000E+01 volume  0.75068E-03 ppm1      8.006 ppm2      3.075 CV     1
 OR { 1027}
   (( segid " 1SG" and resid 18   and name HN  ))
   (( segid " 1SG" and resid 107  and name HB1 ))
 ASSI { 1028}
   (( segid " 1SG" and resid 12   and name HN  ))
   (( segid " 1SG" and resid 11   and name HB2 ))
      3.600     1.600     1.600 peak  1028 spectrum    1 weight  0.10000E+01 volume  0.74925E-03 ppm1      8.345 ppm2      0.920 CV     1
 ASSI { 1029}
   (( segid " 1SG" and resid 42   and name HN  ))
   (( segid " 1SG" and resid 42   and name HB2 ))
      3.400     1.500     1.500 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.74918E-03 ppm1      9.448 ppm2      2.466 CV     1
 ASSI { 1031}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 70   and name HN  ))
      4.000     2.000     2.000 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.74811E-03 ppm1      6.898 ppm2      9.268 CV     1
 ASSI { 1035}
   (( segid " 1SG" and resid 84   and name HN  ))
   (( segid " 1SG" and resid 106  and name HN  ))
      4.100     2.100     1.900 peak  1035 spectrum    1 weight  0.10000E+01 volume  0.74370E-03 ppm1      7.865 ppm2      8.160 CV     1
 ASSI { 1036}
   (( segid " 1SG" and resid 51   and name HN  ))
   (( segid " 1SG" and resid 49   and name HA  ))
      3.700     1.700     1.700 peak  1036 spectrum    1 weight  0.10000E+01 volume  0.74149E-03 ppm1      7.877 ppm2      3.864 CV     1
 ASSI { 1039}
   (( segid " 1SG" and resid 65   and name HN  ))
   (  segid " 1SG" and resid 66   and name HB% )
      4.700     2.800     1.300 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.73821E-03 ppm1      8.306 ppm2      1.408 CV     1
 ASSI { 1040}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      4.100     2.100     1.900 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.73764E-03 ppm1      8.721 ppm2      2.808 CV     1
 ASSI { 1041}
   (( segid " 1SG" and resid 70   and name HN  ))
   (( segid " 1SG" and resid 69   and name HB  ))
      4.000     2.000     2.000 peak  1041 spectrum    1 weight  0.10000E+01 volume  0.73536E-03 ppm1      9.274 ppm2      1.751 CV     1
 ASSI { 1042}
   (( segid " 1SG" and resid 84   and name HN  ))
   (( segid " 1SG" and resid 83   and name HB2 ))
      4.100     2.100     1.900 peak  1042 spectrum    1 weight  0.10000E+01 volume  0.73507E-03 ppm1      7.868 ppm2      3.172 CV     1
 ASSI { 1043}
   (( segid " 1SG" and resid 30   and name HN  ))
   (  segid " 1SG" and resid 70   and name HD% )
      3.900     1.900     1.900 peak  1043 spectrum    1 weight  0.10000E+01 volume  0.73400E-03 ppm1      8.592 ppm2      7.062 CV     1
 ASSI { 1045}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 81   and name HA  ))
      3.600     1.600     1.600 peak  1045 spectrum    1 weight  0.10000E+01 volume  0.73008E-03 ppm1      8.255 ppm2      3.992 CV     1
 ASSI { 1046}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 99   and name HA  ))
      3.500     1.500     1.500 peak  1046 spectrum    1 weight  0.10000E+01 volume  0.72730E-03 ppm1      9.230 ppm2      5.702 CV     1
 ASSI { 1047}
   (( segid " 1SG" and resid 84   and name HN  ))
   (  segid " 1SG" and resid 104  and name HD2%)
      4.000     2.000     2.000 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.72709E-03 ppm1      7.867 ppm2      0.812 CV     1
 ASSI { 1049}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 54   and name HN  ))
      3.600     1.600     1.600 peak  1049 spectrum    1 weight  0.10000E+01 volume  0.72481E-03 ppm1      7.434 ppm2      9.012 CV     1
 ASSI { 1051}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 19   and name HA1 ))
      4.600     2.700     1.400 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.72331E-03 ppm1      8.051 ppm2      4.254 CV     1
 ASSI { 1052}
   (( segid " 1SG" and resid 46   and name HN  ))
   (( segid " 1SG" and resid 46   and name HB2 ))
      4.000     2.000     2.000 peak  1052 spectrum    1 weight  0.10000E+01 volume  0.72210E-03 ppm1      8.216 ppm2      3.056 CV     1
 ASSI { 1054}
   (( segid " 1SG" and resid 62   and name HN  ))
   (  segid " 1SG" and resid 72   and name HD% )
      4.000     2.000     2.000 peak  1054 spectrum    1 weight  0.10000E+01 volume  0.71982E-03 ppm1      8.848 ppm2      7.306 CV     1
 ASSI { 1055}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HD1 ))
      4.200     2.200     1.800 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.71946E-03 ppm1      8.305 ppm2      3.228 CV     1
 OR { 1055}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HD2 ))
 ASSI { 1056}
   (( segid " 1SG" and resid 87   and name HN  ))
   (( segid " 1SG" and resid 102  and name HN  ))
      3.300     1.400     1.400 peak  1056 spectrum    1 weight  0.10000E+01 volume  0.71839E-03 ppm1      9.110 ppm2      8.555 CV     1
 ASSI { 1057}
   (( segid " 1SG" and resid 72   and name HN  ))
   (  segid " 1SG" and resid 26   and name HB% )
      3.700     1.700     1.700 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.71789E-03 ppm1      9.293 ppm2      1.455 CV     1
 ASSI { 1059}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 23   and name HB  ))
      4.300     2.300     1.700 peak  1059 spectrum    1 weight  0.10000E+01 volume  0.71497E-03 ppm1      9.239 ppm2      3.585 CV     1
 ASSI { 1060}
   (( segid " 1SG" and resid 70   and name HN  ))
   (( segid " 1SG" and resid 28   and name HN  ))
      3.400     1.400     1.400 peak  1060 spectrum    1 weight  0.10000E+01 volume  0.71461E-03 ppm1      9.269 ppm2      9.678 CV     1
 ASSI { 1061}
   (( segid " 1SG" and resid 46   and name HN  ))
   (( segid " 1SG" and resid 45   and name HB2 ))
      3.600     1.600     1.600 peak  1061 spectrum    1 weight  0.10000E+01 volume  0.71362E-03 ppm1      8.213 ppm2      0.596 CV     1
 OR { 1061}
   (( segid " 1SG" and resid 46   and name HN  ))
   (( segid " 1SG" and resid 45   and name HG2 ))
 ASSI { 1062}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 74   and name HA  ))
      3.700     1.700     1.700 peak  1062 spectrum    1 weight  0.10000E+01 volume  0.71265E-03 ppm1      8.687 ppm2      4.333 CV     1
 ASSI { 1065}
   (( segid " 1SG" and resid 85   and name HN  ))
   (( segid " 1SG" and resid 104  and name HG  ))
      3.900     1.900     1.900 peak  1065 spectrum    1 weight  0.10000E+01 volume  0.70884E-03 ppm1      9.407 ppm2      1.334 CV     1
 ASSI { 1071}
   (( segid " 1SG" and resid 7    and name HN  ))
   (( segid " 1SG" and resid 6    and name HA  ))
      3.800     1.800     1.800 peak  1071 spectrum    1 weight  0.10000E+01 volume  0.70302E-03 ppm1      8.878 ppm2      4.443 CV     1
 ASSI { 1073}
   (( segid " 1SG" and resid 19   and name HN  ))
   (( segid " 1SG" and resid 18   and name HN  ))
      4.300     2.300     1.700 peak  1073 spectrum    1 weight  0.10000E+01 volume  0.69948E-03 ppm1      9.828 ppm2      8.006 CV     1
 ASSI { 1077}
   (( segid " 1SG" and resid 62   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD2%)
      4.300     2.300     1.700 peak  1077 spectrum    1 weight  0.10000E+01 volume  0.69516E-03 ppm1      8.848 ppm2      0.735 CV     1
 ASSI { 1078}
   (( segid " 1SG" and resid 72   and name HN  ))
   (( segid " 1SG" and resid 27   and name HA  ))
      3.700     1.700     1.700 peak  1078 spectrum    1 weight  0.10000E+01 volume  0.69461E-03 ppm1      9.296 ppm2      5.831 CV     1
 ASSI { 1079}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 67   and name HB2 ))
      4.000     2.000     2.000 peak  1079 spectrum    1 weight  0.10000E+01 volume  0.69355E-03 ppm1      6.900 ppm2      3.732 CV     1
 OR { 1079}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 67   and name HB1 ))
 ASSI { 1080}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 55   and name HA  ))
      3.500     1.500     1.500 peak  1080 spectrum    1 weight  0.10000E+01 volume  0.69288E-03 ppm1      7.434 ppm2      3.988 CV     1
 ASSI { 1081}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 105  and name HB  ))
      4.000     2.000     2.000 peak  1081 spectrum    1 weight  0.10000E+01 volume  0.69256E-03 ppm1      8.593 ppm2      3.930 CV     1
 ASSI { 1082}
   (( segid " 1SG" and resid 77   and name HN  ))
   (( segid " 1SG" and resid 76   and name HB  ))
      4.200     2.200     1.800 peak  1082 spectrum    1 weight  0.10000E+01 volume  0.69236E-03 ppm1      8.711 ppm2      1.910 CV     1
 ASSI { 1083}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 21   and name HA  ))
      4.500     2.500     1.500 peak  1083 spectrum    1 weight  0.10000E+01 volume  0.69181E-03 ppm1      8.972 ppm2      5.495 CV     1
 ASSI { 1084}
   (( segid " 1SG" and resid 80   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      4.300     2.400     1.700 peak  1084 spectrum    1 weight  0.10000E+01 volume  0.69159E-03 ppm1      5.579 ppm2      1.174 CV     1
 ASSI { 1086}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 58   and name HA  ))
      3.600     1.600     1.600 peak  1086 spectrum    1 weight  0.10000E+01 volume  0.69069E-03 ppm1      9.017 ppm2      4.624 CV     1
 ASSI { 1088}
   (( segid " 1SG" and resid 85   and name HN  ))
   (  segid " 1SG" and resid 104  and name HD2%)
      3.600     1.600     1.600 peak  1088 spectrum    1 weight  0.10000E+01 volume  0.68906E-03 ppm1      9.407 ppm2      0.814 CV     1
 ASSI { 1092}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 72   and name HB2 ))
      4.400     2.400     1.600 peak  1092 spectrum    1 weight  0.10000E+01 volume  0.68518E-03 ppm1      9.451 ppm2      2.893 CV     1
 ASSI { 1095}
   (( segid " 1SG" and resid 90   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG1%)
      2.900     1.000     1.000 peak  1095 spectrum    1 weight  0.10000E+01 volume  0.31882E-02 ppm1      9.489 ppm2     -0.081 CV     1
 ASSI { 1099}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 46   and name HD1 ))
      3.800     1.800     1.800 peak  1099 spectrum    1 weight  0.10000E+01 volume  0.67552E-03 ppm1      7.291 ppm2      7.129 CV     1
 ASSI { 1101}
   (( segid " 1SG" and resid 43   and name HN  ))
   (  segid " 1SG" and resid 42   and name HD% )
      3.700     1.700     1.700 peak  1101 spectrum    1 weight  0.10000E+01 volume  0.67423E-03 ppm1      8.628 ppm2      6.700 CV     1
 ASSI { 1102}
   (( segid " 1SG" and resid 93   and name HN  ))
   (( segid " 1SG" and resid 92   and name HN  ))
      4.100     2.100     1.900 peak  1102 spectrum    1 weight  0.10000E+01 volume  0.67380E-03 ppm1      8.556 ppm2      8.734 CV     1
 ASSI { 1103}
   (( segid " 1SG" and resid 76   and name HN  ))
   (( segid " 1SG" and resid 24   and name HN  ))
      4.400     2.500     1.600 peak  1103 spectrum    1 weight  0.10000E+01 volume  0.66788E-03 ppm1      8.925 ppm2      9.242 CV     1
 ASSI { 1105}
   (( segid " 1SG" and resid 48   and name HN  ))
   (  segid " 1SG" and resid 42   and name HD% )
      4.200     2.200     1.800 peak  1105 spectrum    1 weight  0.10000E+01 volume  0.66709E-03 ppm1      8.396 ppm2      6.693 CV     1
 ASSI { 1106}
   (( segid " 1SG" and resid 90   and name HN  ))
   (( segid " 1SG" and resid 89   and name HB2 ))
      4.400     2.400     1.600 peak  1106 spectrum    1 weight  0.10000E+01 volume  0.66702E-03 ppm1      9.488 ppm2      2.324 CV     1
 ASSI { 1109}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 89   and name HB2 ))
      3.400     1.500     1.500 peak  1109 spectrum    1 weight  0.10000E+01 volume  0.66513E-03 ppm1      8.977 ppm2      2.309 CV     1
 ASSI { 1114}
   (( segid " 1SG" and resid 40   and name HN  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      4.900     3.000     1.100 peak  1114 spectrum    1 weight  0.10000E+01 volume  0.65907E-03 ppm1      8.695 ppm2      0.172 CV     1
 ASSI { 1115}
   (( segid " 1SG" and resid 96   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      4.000     2.000     2.000 peak  1115 spectrum    1 weight  0.10000E+01 volume  0.65598E-03 ppm1      7.545 ppm2      0.466 CV     1
 ASSI { 1116}
   (( segid " 1SG" and resid 78   and name HN  ))
   (  segid " 1SG" and resid 76   and name HG2%)
      3.900     1.900     1.900 peak  1116 spectrum    1 weight  0.10000E+01 volume  0.65293E-03 ppm1      8.055 ppm2      0.789 CV     1
 ASSI { 1117}
   (( segid " 1SG" and resid 64   and name HN  ))
   (( segid " 1SG" and resid 63   and name HB2 ))
      4.500     2.600     1.500 peak  1117 spectrum    1 weight  0.10000E+01 volume  0.65162E-03 ppm1      7.754 ppm2      2.540 CV     1
 ASSI { 1118}
   (( segid " 1SG" and resid 33   and name HN  ))
   (( segid " 1SG" and resid 32   and name HA  ))
      3.700     1.700     1.700 peak  1118 spectrum    1 weight  0.10000E+01 volume  0.65065E-03 ppm1      7.614 ppm2      4.515 CV     1
 ASSI { 1119}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 72   and name HN  ))
      4.200     2.200     1.800 peak  1119 spectrum    1 weight  0.10000E+01 volume  0.64992E-03 ppm1      9.450 ppm2      9.298 CV     1
 ASSI { 1120}
   (( segid " 1SG" and resid 50   and name HN  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      3.900     1.900     1.900 peak  1120 spectrum    1 weight  0.10000E+01 volume  0.64781E-03 ppm1      8.939 ppm2      1.056 CV     1
 ASSI { 1122}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 40   and name HD1 ))
      4.000     2.100     2.000 peak  1122 spectrum    1 weight  0.10000E+01 volume  0.64616E-03 ppm1      8.978 ppm2      1.704 CV     1
 OR { 1122}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 40   and name HD2 ))
 ASSI { 1124}
   (( segid " 1SG" and resid 84   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      4.800     2.900     1.200 peak  1124 spectrum    1 weight  0.10000E+01 volume  0.64546E-03 ppm1      7.861 ppm2      0.372 CV     1
 ASSI { 1127}
   (( segid " 1SG" and resid 30   and name HN  ))
   (  segid " 1SG" and resid 70   and name HE% )
      4.200     2.200     1.800 peak  1127 spectrum    1 weight  0.10000E+01 volume  0.64233E-03 ppm1      8.590 ppm2      6.626 CV     1
 ASSI { 1128}
   (( segid " 1SG" and resid 6    and name HN  ))
   (  segid " 1SG" and resid 6    and name HD1%)
      4.200     2.200     1.800 peak  1128 spectrum    1 weight  0.10000E+01 volume  0.64129E-03 ppm1      8.452 ppm2      0.650 CV     1
 ASSI { 1130}
   (( segid " 1SG" and resid 52   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
      4.400     2.400     1.600 peak  1130 spectrum    1 weight  0.10000E+01 volume  0.64031E-03 ppm1      7.782 ppm2      0.598 CV     1
 OR { 1130}
   (( segid " 1SG" and resid 52   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI { 1134}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 43   and name HA  ))
      3.400     1.400     1.400 peak  1134 spectrum    1 weight  0.10000E+01 volume  0.63844E-03 ppm1      8.628 ppm2      4.137 CV     1
 ASSI { 1135}
   (( segid " 1SG" and resid 102  and name HN  ))
   (  segid " 1SG" and resid 102  and name HD% )
      3.600     1.600     1.600 peak  1135 spectrum    1 weight  0.10000E+01 volume  0.63832E-03 ppm1      8.559 ppm2      6.774 CV     1
 ASSI { 1136}
   (( segid " 1SG" and resid 85   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG1%)
      4.600     2.600     1.400 peak  1136 spectrum    1 weight  0.10000E+01 volume  0.63753E-03 ppm1      9.402 ppm2      0.679 CV     1
 ASSI { 1139}
   (( segid " 1SG" and resid 97   and name HN  ))
   (  segid " 1SG" and resid 97   and name HD% )
      4.200     2.200     1.800 peak  1139 spectrum    1 weight  0.10000E+01 volume  0.63645E-03 ppm1      8.059 ppm2      7.095 CV     1
 ASSI { 1140}
   (( segid " 1SG" and resid 80   and name HN  ))
   (  segid " 1SG" and resid 83   and name HD% )
      3.800     1.800     1.800 peak  1140 spectrum    1 weight  0.10000E+01 volume  0.63543E-03 ppm1      5.578 ppm2      7.113 CV     1
 ASSI { 1147}
   (( segid " 1SG" and resid 6    and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      4.200     2.200     1.800 peak  1147 spectrum    1 weight  0.10000E+01 volume  0.63165E-03 ppm1      8.450 ppm2      0.473 CV     1
 ASSI { 1148}
   (( segid " 1SG" and resid 100  and name HN  ))
   (( segid " 1SG" and resid 100  and name HB2 ))
      3.900     1.900     1.900 peak  1148 spectrum    1 weight  0.10000E+01 volume  0.63099E-03 ppm1      8.896 ppm2      2.949 CV     1
 ASSI { 1149}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 94   and name HD1 ))
      3.500     3.500     2.500 peak  1149 spectrum    1 weight  0.10000E+01 volume  0.62982E-03 ppm1      7.966 ppm2      1.675 CV     1
 OR { 1149}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 94   and name HD2 ))
 ASSI { 1150}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 7    and name HB2 ))
      3.100     3.100     2.900 peak  1150 spectrum    1 weight  0.10000E+01 volume  0.62958E-03 ppm1      7.886 ppm2      2.575 CV     1
 ASSI { 1151}
   (( segid " 1SG" and resid 105  and name HN  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      4.000     2.000     2.000 peak  1151 spectrum    1 weight  0.10000E+01 volume  0.62900E-03 ppm1      8.397 ppm2      0.598 CV     1
 ASSI { 1153}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 49   and name HB2 ))
      4.200     2.200     1.800 peak  1153 spectrum    1 weight  0.10000E+01 volume  0.62549E-03 ppm1      6.765 ppm2      1.541 CV     1
 ASSI { 1154}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 104  and name HG  ))
      4.100     2.100     1.900 peak  1154 spectrum    1 weight  0.10000E+01 volume  0.62506E-03 ppm1      8.795 ppm2      1.331 CV     1
 ASSI { 1155}
   (( segid " 1SG" and resid 17   and name HN  ))
   (( segid " 1SG" and resid 20   and name HA1 ))
      3.600     1.600     1.600 peak  1155 spectrum    1 weight  0.10000E+01 volume  0.62301E-03 ppm1      7.901 ppm2      3.729 CV     1
 ASSI { 1156}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 94   and name HA  ))
      4.600     2.600     1.400 peak  1156 spectrum    1 weight  0.10000E+01 volume  0.62295E-03 ppm1      7.545 ppm2      4.046 CV     1
 ASSI { 1159}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (  segid " 1SG" and resid 47   and name HG2%)
      4.400     2.400     1.600 peak  1159 spectrum    1 weight  0.10000E+01 volume  0.62219E-03 ppm1     10.119 ppm2      0.784 CV     1
 ASSI { 1161}
   (( segid " 1SG" and resid 21   and name HN  ))
   (( segid " 1SG" and resid 77   and name HA  ))
      4.800     2.900     1.200 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.62073E-03 ppm1      8.164 ppm2      4.654 CV     1
 ASSI { 1162}
   (( segid " 1SG" and resid 64   and name HN  ))
   (( segid " 1SG" and resid 68   and name HN  ))
      4.100     2.100     1.900 peak  1162 spectrum    1 weight  0.10000E+01 volume  0.62012E-03 ppm1      7.762 ppm2      7.885 CV     1
 ASSI { 1163}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 48   and name HB2 ))
      4.500     2.500     1.500 peak  1163 spectrum    1 weight  0.10000E+01 volume  0.61977E-03 ppm1      9.289 ppm2      2.942 CV     1
 ASSI { 1166}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 104  and name HB2 ))
      4.600     2.600     1.400 peak  1166 spectrum    1 weight  0.10000E+01 volume  0.61799E-03 ppm1      8.397 ppm2      1.239 CV     1
 ASSI { 1167}
   (( segid " 1SG" and resid 8    and name HN  ))
   (  segid " 1SG" and resid 7    and name HD% )
      4.600     2.700     1.400 peak  1167 spectrum    1 weight  0.10000E+01 volume  0.61669E-03 ppm1      9.051 ppm2      7.309 CV     1
 ASSI { 1168}
   (( segid " 1SG" and resid 67   and name HN  ))
   (  segid " 1SG" and resid 69   and name HG2%)
      4.100     2.100     1.900 peak  1168 spectrum    1 weight  0.10000E+01 volume  0.61660E-03 ppm1      7.424 ppm2      0.850 CV     1
 OR { 1168}
   (( segid " 1SG" and resid 67   and name HN  ))
   (  segid " 1SG" and resid 69   and name HG1%)
 ASSI { 1170}
   (( segid " 1SG" and resid 12   and name HE21))
   (  segid " 1SG" and resid 102  and name HE% )
      3.900     3.900     2.100 peak  1170 spectrum    1 weight  0.10000E+01 volume  0.61600E-03 ppm1      7.462 ppm2      7.083 CV     1
 ASSI { 1172}
   (( segid " 1SG" and resid 86   and name HN  ))
   (( segid " 1SG" and resid 85   and name HN  ))
      4.200     2.200     1.800 peak  1172 spectrum    1 weight  0.10000E+01 volume  0.61585E-03 ppm1      7.948 ppm2      9.406 CV     1
 ASSI { 1173}
   (( segid " 1SG" and resid 90   and name HN  ))
   (( segid " 1SG" and resid 41   and name HA  ))
      4.100     2.100     1.900 peak  1173 spectrum    1 weight  0.10000E+01 volume  0.61417E-03 ppm1      9.490 ppm2      5.471 CV     1
 ASSI { 1174}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB2 ))
      4.800     2.900     1.200 peak  1174 spectrum    1 weight  0.10000E+01 volume  0.61409E-03 ppm1      7.198 ppm2      2.395 CV     1
 OR { 1174}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB1 ))
 ASSI { 1175}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 73   and name HB2 ))
      3.800     1.800     1.800 peak  1175 spectrum    1 weight  0.10000E+01 volume  0.61408E-03 ppm1      8.688 ppm2      1.552 CV     1
 ASSI { 1177}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 43   and name HD1 ))
      4.600     2.700     1.400 peak  1177 spectrum    1 weight  0.10000E+01 volume  0.61344E-03 ppm1      8.632 ppm2      1.317 CV     1
 OR { 1177}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 43   and name HD2 ))
 ASSI { 1181}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 99   and name HB2 ))
      4.000     2.000     2.000 peak  1181 spectrum    1 weight  0.10000E+01 volume  0.61040E-03 ppm1      9.230 ppm2      2.737 CV     1
 ASSI { 1183}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HA  ))
      3.400     1.400     1.400 peak  1183 spectrum    1 weight  0.10000E+01 volume  0.61016E-03 ppm1      8.888 ppm2      5.828 CV     1
 ASSI { 1187}
   (( segid " 1SG" and resid 17   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      4.300     2.300     1.700 peak  1187 spectrum    1 weight  0.10000E+01 volume  0.60925E-03 ppm1      7.900 ppm2      1.179 CV     1
 ASSI { 1192}
   (( segid " 1SG" and resid 9    and name HN  ))
   (  segid " 1SG" and resid 7    and name HD% )
      4.100     2.100     1.900 peak  1192 spectrum    1 weight  0.10000E+01 volume  0.60727E-03 ppm1      7.892 ppm2      7.309 CV     1
 ASSI { 1193}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 96   and name HG2 ))
      4.400     2.400     1.600 peak  1193 spectrum    1 weight  0.10000E+01 volume  0.60485E-03 ppm1      7.973 ppm2      1.317 CV     1
 OR { 1193}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 96   and name HG1 ))
 ASSI { 1194}
   (( segid " 1SG" and resid 60   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD2%)
      4.500     2.600     1.500 peak  1194 spectrum    1 weight  0.10000E+01 volume  0.60307E-03 ppm1      8.688 ppm2      0.407 CV     1
 OR { 1194}
   (( segid " 1SG" and resid 60   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI { 1199}
   (( segid " 1SG" and resid 70   and name HN  ))
   (( segid " 1SG" and resid 29   and name HA  ))
      4.300     2.300     1.700 peak  1199 spectrum    1 weight  0.10000E+01 volume  0.60248E-03 ppm1      9.269 ppm2      4.385 CV     1
 ASSI { 1201}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 81   and name HA  ))
      5.000     3.100     1.000 peak  1201 spectrum    1 weight  0.10000E+01 volume  0.60126E-03 ppm1      8.150 ppm2      3.988 CV     1
 ASSI { 1205}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (  segid " 1SG" and resid 74   and name HD2%)
      4.100     2.100     1.900 peak  1205 spectrum    1 weight  0.10000E+01 volume  0.60017E-03 ppm1     10.782 ppm2      0.402 CV     1
 OR { 1205}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI { 1207}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 49   and name HB2 ))
      4.000     2.000     2.000 peak  1207 spectrum    1 weight  0.10000E+01 volume  0.59891E-03 ppm1      8.941 ppm2      1.554 CV     1
 ASSI { 1210}
   (( segid " 1SG" and resid 29   and name HN  ))
   (( segid " 1SG" and resid 28   and name HB  ))
      4.300     2.300     1.700 peak  1210 spectrum    1 weight  0.10000E+01 volume  0.59605E-03 ppm1      8.854 ppm2      1.961 CV     1
 ASSI { 1211}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 82   and name HN  ))
      3.500     1.500     1.500 peak  1211 spectrum    1 weight  0.10000E+01 volume  0.59590E-03 ppm1      8.254 ppm2      8.025 CV     1
 ASSI { 1213}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 43   and name HB2 ))
      4.200     2.200     1.800 peak  1213 spectrum    1 weight  0.10000E+01 volume  0.59270E-03 ppm1      8.211 ppm2      1.213 CV     1
 ASSI { 1214}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 15   and name HB1 ))
      4.700     2.800     1.300 peak  1214 spectrum    1 weight  0.10000E+01 volume  0.59244E-03 ppm1      8.404 ppm2      2.024 CV     1
 OR { 1214}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 15   and name HB2 ))
 ASSI { 1217}
   (( segid " 1SG" and resid 76   and name HN  ))
   (( segid " 1SG" and resid 77   and name HN  ))
      4.100     2.100     1.900 peak  1217 spectrum    1 weight  0.10000E+01 volume  0.59063E-03 ppm1      8.925 ppm2      8.720 CV     1
 ASSI { 1218}
   (( segid " 1SG" and resid 80   and name HE21))
   (( segid " 1SG" and resid 80   and name HA  ))
      4.200     2.200     1.800 peak  1218 spectrum    1 weight  0.10000E+01 volume  0.58957E-03 ppm1      6.979 ppm2      4.637 CV     1
 ASSI { 1219}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 26   and name HN  ))
      4.300     2.300     1.700 peak  1219 spectrum    1 weight  0.10000E+01 volume  0.58942E-03 ppm1      8.401 ppm2      9.500 CV     1
 ASSI { 1222}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 93   and name HB  ))
      3.600     1.600     1.600 peak  1222 spectrum    1 weight  0.10000E+01 volume  0.58721E-03 ppm1      7.972 ppm2      4.556 CV     1
 ASSI { 1223}
   (( segid " 1SG" and resid 98   and name HN  ))
   (( segid " 1SG" and resid 97   and name HB2 ))
      4.300     2.300     1.700 peak  1223 spectrum    1 weight  0.10000E+01 volume  0.58683E-03 ppm1      8.414 ppm2      2.674 CV     1
 ASSI { 1224}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 68   and name HG1 ))
      5.200     3.400     0.800 peak  1224 spectrum    1 weight  0.10000E+01 volume  0.58649E-03 ppm1      7.423 ppm2      1.256 CV     1
 OR { 1224}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 68   and name HG2 ))
 ASSI { 1225}
   (( segid " 1SG" and resid 96   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD1%)
      4.200     2.200     1.800 peak  1225 spectrum    1 weight  0.10000E+01 volume  0.58603E-03 ppm1      7.544 ppm2      0.653 CV     1
 ASSI { 1226}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 60   and name HB2 ))
      3.700     1.700     1.700 peak  1226 spectrum    1 weight  0.10000E+01 volume  0.58479E-03 ppm1      9.449 ppm2      2.977 CV     1
 ASSI { 1228}
   (( segid " 1SG" and resid 108  and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.800     1.800     1.800 peak  1228 spectrum    1 weight  0.10000E+01 volume  0.58239E-03 ppm1      8.564 ppm2      0.370 CV     1
 ASSI { 1230}
   (( segid " 1SG" and resid 30   and name HN  ))
   (( segid " 1SG" and resid 70   and name HN  ))
      4.100     2.100     1.900 peak  1230 spectrum    1 weight  0.10000E+01 volume  0.57985E-03 ppm1      8.593 ppm2      9.275 CV     1
 ASSI { 1231}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 24   and name HN  ))
      4.400     2.400     1.600 peak  1231 spectrum    1 weight  0.10000E+01 volume  0.57972E-03 ppm1      8.400 ppm2      9.240 CV     1
 ASSI { 1232}
   (( segid " 1SG" and resid 83   and name HN  ))
   (  segid " 1SG" and resid 83   and name HE% )
      4.900     3.000     1.100 peak  1232 spectrum    1 weight  0.10000E+01 volume  0.57962E-03 ppm1      8.256 ppm2      7.263 CV     1
 ASSI { 1238}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 58   and name HG2 ))
      4.600     2.700     1.400 peak  1238 spectrum    1 weight  0.10000E+01 volume  0.57595E-03 ppm1      9.148 ppm2      1.803 CV     1
 ASSI { 1239}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 40   and name HD2 ))
      4.300     2.300     1.700 peak  1239 spectrum    1 weight  0.10000E+01 volume  0.57454E-03 ppm1      9.110 ppm2      1.698 CV     1
 OR { 1239}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 40   and name HD1 ))
 ASSI { 1241}
   (( segid " 1SG" and resid 108  and name HN  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      4.300     2.300     1.700 peak  1241 spectrum    1 weight  0.10000E+01 volume  0.57421E-03 ppm1      8.565 ppm2      1.285 CV     1
 ASSI { 1245}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 41   and name HD1 ))
      4.100     2.100     1.900 peak  1245 spectrum    1 weight  0.10000E+01 volume  0.57253E-03 ppm1      8.690 ppm2      7.122 CV     1
 ASSI { 1247}
   (( segid " 1SG" and resid 58   and name HE22))
   (( segid " 1SG" and resid 77   and name HB  ))
      4.300     2.300     1.700 peak  1247 spectrum    1 weight  0.10000E+01 volume  0.57190E-03 ppm1      6.686 ppm2      4.009 CV     1
 ASSI { 1249}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 7    and name HB2 ))
      3.200     3.200     2.800 peak  1249 spectrum    1 weight  0.10000E+01 volume  0.57124E-03 ppm1      9.229 ppm2      2.578 CV     1
 ASSI { 1250}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 77   and name HN  ))
      5.000     3.100     1.000 peak  1250 spectrum    1 weight  0.10000E+01 volume  0.57096E-03 ppm1      8.944 ppm2      8.717 CV     1
 ASSI { 1253}
   (( segid " 1SG" and resid 39   and name HN  ))
   (  segid " 1SG" and resid 72   and name HE% )
      4.100     2.100     1.900 peak  1253 spectrum    1 weight  0.10000E+01 volume  0.56981E-03 ppm1      7.893 ppm2      7.055 CV     1
 ASSI { 1258}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 74   and name HN  ))
      4.300     2.300     1.700 peak  1258 spectrum    1 weight  0.10000E+01 volume  0.56673E-03 ppm1      9.450 ppm2      8.472 CV     1
 ASSI { 1260}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 42   and name HB2 ))
      4.800     2.900     1.200 peak  1260 spectrum    1 weight  0.10000E+01 volume  0.56578E-03 ppm1      9.287 ppm2      2.479 CV     1
 ASSI { 1263}
   (( segid " 1SG" and resid 73   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD2%)
      4.500     2.500     1.500 peak  1263 spectrum    1 weight  0.10000E+01 volume  0.56332E-03 ppm1      9.448 ppm2      0.742 CV     1
 ASSI { 1264}
   (( segid " 1SG" and resid 80   and name HE22))
   (( segid " 1SG" and resid 80   and name HA  ))
      5.400     3.700     0.600 peak  1264 spectrum    1 weight  0.10000E+01 volume  0.56231E-03 ppm1      6.643 ppm2      4.635 CV     1
 ASSI { 1268}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 89   and name HA  ))
      3.600     1.600     1.600 peak  1268 spectrum    1 weight  0.10000E+01 volume  0.56142E-03 ppm1      8.977 ppm2      4.944 CV     1
 ASSI { 1269}
   (( segid " 1SG" and resid 73   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD1%)
      4.000     2.000     2.000 peak  1269 spectrum    1 weight  0.10000E+01 volume  0.56136E-03 ppm1      9.452 ppm2      0.839 CV     1
 ASSI { 1270}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 57   and name HG  ))
      4.400     2.400     1.600 peak  1270 spectrum    1 weight  0.10000E+01 volume  0.56116E-03 ppm1      9.018 ppm2      0.750 CV     1
 ASSI { 1272}
   (( segid " 1SG" and resid 53   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD1%)
      4.800     2.800     1.200 peak  1272 spectrum    1 weight  0.10000E+01 volume  0.56044E-03 ppm1      6.765 ppm2      0.861 CV     1
 ASSI { 1273}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 98   and name HB2 ))
      5.000     3.100     1.000 peak  1273 spectrum    1 weight  0.10000E+01 volume  0.56004E-03 ppm1      9.229 ppm2      2.289 CV     1
 ASSI { 1274}
   (( segid " 1SG" and resid 16   and name HN  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      4.500     2.500     1.500 peak  1274 spectrum    1 weight  0.10000E+01 volume  0.55972E-03 ppm1      8.594 ppm2      1.286 CV     1
 ASSI { 1276}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 71   and name HA  ))
      4.000     2.000     2.000 peak  1276 spectrum    1 weight  0.10000E+01 volume  0.55921E-03 ppm1      9.674 ppm2      5.062 CV     1
 ASSI { 1277}
   (( segid " 1SG" and resid 76   and name HN  ))
   (( segid " 1SG" and resid 75   and name HN  ))
      4.000     2.000     2.000 peak  1277 spectrum    1 weight  0.10000E+01 volume  0.55909E-03 ppm1      8.928 ppm2      9.150 CV     1
 ASSI { 1285}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 17   and name HN  ))
      3.800     1.800     1.800 peak  1285 spectrum    1 weight  0.10000E+01 volume  0.55173E-03 ppm1      8.829 ppm2      7.897 CV     1
 ASSI { 1286}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 65   and name HA  ))
      4.100     2.100     1.900 peak  1286 spectrum    1 weight  0.10000E+01 volume  0.55171E-03 ppm1      7.422 ppm2      3.445 CV     1
 ASSI { 1287}
   (( segid " 1SG" and resid 22   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      4.300     2.300     1.700 peak  1287 spectrum    1 weight  0.10000E+01 volume  0.55168E-03 ppm1      8.892 ppm2      1.182 CV     1
 ASSI { 1288}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 67   and name HA  ))
      4.800     2.900     1.200 peak  1288 spectrum    1 weight  0.10000E+01 volume  0.55135E-03 ppm1      8.107 ppm2      4.299 CV     1
 ASSI { 1290}
   (( segid " 1SG" and resid 70   and name HN  ))
   (( segid " 1SG" and resid 28   and name HB  ))
      3.700     1.700     1.700 peak  1290 spectrum    1 weight  0.10000E+01 volume  0.55117E-03 ppm1      9.273 ppm2      1.954 CV     1
 ASSI { 1292}
   (( segid " 1SG" and resid 101  and name HD22))
   (( segid " 1SG" and resid 101  and name HB2 ))
      4.400     2.500     1.600 peak  1292 spectrum    1 weight  0.10000E+01 volume  0.54931E-03 ppm1      6.724 ppm2      2.692 CV     1
 ASSI { 1293}
   (( segid " 1SG" and resid 101  and name HD21))
   (( segid " 1SG" and resid 101  and name HB2 ))
      3.700     1.700     1.700 peak  1293 spectrum    1 weight  0.10000E+01 volume  0.54890E-03 ppm1      7.469 ppm2      2.694 CV     1
 ASSI { 1295}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 83   and name HA  ))
      3.900     1.900     1.900 peak  1295 spectrum    1 weight  0.10000E+01 volume  0.54708E-03 ppm1     10.109 ppm2      4.613 CV     1
 ASSI { 1296}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB2 ))
      4.500     2.600     1.500 peak  1296 spectrum    1 weight  0.10000E+01 volume  0.54700E-03 ppm1      9.024 ppm2      2.399 CV     1
 OR { 1296}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB1 ))
 ASSI { 1298}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 37   and name HB2 ))
      4.000     2.000     2.000 peak  1298 spectrum    1 weight  0.10000E+01 volume  0.54657E-03 ppm1      8.737 ppm2      1.365 CV     1
 ASSI { 1299}
   (( segid " 1SG" and resid 7    and name HN  ))
   (  segid " 1SG" and resid 6    and name HD1%)
      4.600     2.700     1.400 peak  1299 spectrum    1 weight  0.10000E+01 volume  0.54641E-03 ppm1      8.875 ppm2      0.650 CV     1
 ASSI { 1301}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 106  and name HN  ))
      4.400     2.400     1.600 peak  1301 spectrum    1 weight  0.10000E+01 volume  0.54627E-03 ppm1      8.826 ppm2      8.159 CV     1
 ASSI { 1302}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 84   and name HA  ))
      4.100     2.100     1.900 peak  1302 spectrum    1 weight  0.10000E+01 volume  0.54515E-03 ppm1      8.799 ppm2      4.230 CV     1
 OR { 1302}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 84   and name HB  ))
 ASSI { 1306}
   (( segid " 1SG" and resid 40   and name HN  ))
   (  segid " 1SG" and resid 38   and name HG2%)
      4.500     2.600     1.500 peak  1306 spectrum    1 weight  0.10000E+01 volume  0.54203E-03 ppm1      8.688 ppm2      0.784 CV     1
 ASSI { 1307}
   (( segid " 1SG" and resid 29   and name HN  ))
   (( segid " 1SG" and resid 28   and name HN  ))
      4.300     2.300     1.700 peak  1307 spectrum    1 weight  0.10000E+01 volume  0.54141E-03 ppm1      8.856 ppm2      9.676 CV     1
 ASSI { 1309}
   (( segid " 1SG" and resid 48   and name HN  ))
   (( segid " 1SG" and resid 47   and name HN  ))
      4.300     2.300     1.700 peak  1309 spectrum    1 weight  0.10000E+01 volume  0.54030E-03 ppm1      8.396 ppm2      7.292 CV     1
 ASSI { 1310}
   (( segid " 1SG" and resid 93   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD1%)
      3.900     1.900     1.900 peak  1310 spectrum    1 weight  0.10000E+01 volume  0.54017E-03 ppm1      8.555 ppm2      0.652 CV     1
 ASSI { 1311}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 46   and name HB2 ))
      4.400     2.400     1.600 peak  1311 spectrum    1 weight  0.10000E+01 volume  0.53989E-03 ppm1     10.115 ppm2      3.057 CV     1
 ASSI { 1312}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      4.100     2.100     1.900 peak  1312 spectrum    1 weight  0.10000E+01 volume  0.53876E-03 ppm1      9.149 ppm2      1.436 CV     1
 ASSI { 1314}
   (( segid " 1SG" and resid 42   and name HN  ))
   (( segid " 1SG" and resid 41   and name HN  ))
      4.600     2.600     1.400 peak  1314 spectrum    1 weight  0.10000E+01 volume  0.53747E-03 ppm1      9.445 ppm2      9.310 CV     1
 ASSI { 1315}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 101  and name HA  ))
      4.200     2.200     1.800 peak  1315 spectrum    1 weight  0.10000E+01 volume  0.53737E-03 ppm1      8.979 ppm2      5.507 CV     1
 ASSI { 1317}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 45   and name HA  ))
      4.700     2.800     1.300 peak  1317 spectrum    1 weight  0.10000E+01 volume  0.53542E-03 ppm1     10.118 ppm2      3.497 CV     1
 ASSI { 1319}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 57   and name HA  ))
      4.100     2.100     1.900 peak  1319 spectrum    1 weight  0.10000E+01 volume  0.53464E-03 ppm1      9.150 ppm2      5.401 CV     1
 ASSI { 1320}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 45   and name HE2 ))
      4.200     2.200     1.800 peak  1320 spectrum    1 weight  0.10000E+01 volume  0.53441E-03 ppm1     10.108 ppm2      2.594 CV     1
 ASSI { 1323}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 58   and name HA  ))
      3.800     1.800     1.800 peak  1323 spectrum    1 weight  0.10000E+01 volume  0.53297E-03 ppm1      7.436 ppm2      4.650 CV     1
 ASSI { 1325}
   (( segid " 1SG" and resid 10   and name HN  ))
   (( segid " 1SG" and resid 10   and name HA  ))
      3.600     1.600     1.600 peak  1325 spectrum    1 weight  0.10000E+01 volume  0.53135E-03 ppm1      8.852 ppm2      4.315 CV     1
 ASSI { 1332}
   (( segid " 1SG" and resid 80   and name HN  ))
   (( segid " 1SG" and resid 80   and name HG2 ))
      3.700     1.700     1.700 peak  1332 spectrum    1 weight  0.10000E+01 volume  0.52800E-03 ppm1      5.579 ppm2      2.159 CV     1
 OR { 1332}
   (( segid " 1SG" and resid 80   and name HN  ))
   (( segid " 1SG" and resid 80   and name HG1 ))
 ASSI { 1333}
   (( segid " 1SG" and resid 21   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      4.200     2.200     1.800 peak  1333 spectrum    1 weight  0.10000E+01 volume  0.52734E-03 ppm1      8.168 ppm2      1.177 CV     1
 ASSI { 1335}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 89   and name HA  ))
      4.400     2.500     1.600 peak  1335 spectrum    1 weight  0.10000E+01 volume  0.52605E-03 ppm1      8.689 ppm2      4.943 CV     1
 ASSI { 1341}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 88   and name HA  ))
      3.500     1.500     1.500 peak  1341 spectrum    1 weight  0.10000E+01 volume  0.52096E-03 ppm1      9.108 ppm2      5.308 CV     1
 ASSI { 1347}
   (( segid " 1SG" and resid 29   and name HN  ))
   (( segid " 1SG" and resid 30   and name HN  ))
      3.300     1.400     1.400 peak  1347 spectrum    1 weight  0.10000E+01 volume  0.31800E-02 ppm1      8.854 ppm2      8.595 CV     1
 ASSI { 1348}
   (( segid " 1SG" and resid 102  and name HN  ))
   (( segid " 1SG" and resid 103  and name HN  ))
      3.200     1.300     1.300 peak  1348 spectrum    1 weight  0.10000E+01 volume  0.31817E-02 ppm1      8.557 ppm2      9.245 CV     1
 ASSI { 1349}
   (( segid " 1SG" and resid 42   and name HN  ))
   (( segid " 1SG" and resid 42   and name HA  ))
      2.700     0.900     0.900 peak  1349 spectrum    1 weight  0.10000E+01 volume  0.31800E-02 ppm1      9.447 ppm2      5.780 CV     1
 ASSI { 1351}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 14   and name HN  ))
      3.300     1.400     1.400 peak  1351 spectrum    1 weight  0.10000E+01 volume  0.31800E-02 ppm1      8.317 ppm2      9.191 CV     1
 ASSI { 1352}
   (( segid " 1SG" and resid 94   and name HN  ))
   (( segid " 1SG" and resid 94   and name HB2 ))
      3.400     1.400     1.400 peak  1352 spectrum    1 weight  0.10000E+01 volume  0.31800E-02 ppm1      8.330 ppm2      1.778 CV     1
 ASSI { 1353}
   (( segid " 1SG" and resid 93   and name HN  ))
   (( segid " 1SG" and resid 93   and name HB  ))
      2.900     1.100     1.100 peak  1353 spectrum    1 weight  0.10000E+01 volume  0.31800E-02 ppm1      8.558 ppm2      4.550 CV     1
 ASSI { 1356}
   (( segid " 1SG" and resid 56   and name HN  ))
   (( segid " 1SG" and resid 56   and name HA  ))
      2.800     1.000     1.000 peak  1356 spectrum    1 weight  0.10000E+01 volume  0.31800E-02 ppm1      8.385 ppm2      4.970 CV     1
 ASSI { 1358}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 8    and name HN  ))
      2.600     0.800     0.800 peak  1358 spectrum    1 weight  0.10000E+01 volume  0.31800E-02 ppm1      7.892 ppm2      9.052 CV     1
 ASSI { 1360}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 98   and name HN  ))
      3.400     1.400     1.400 peak  1360 spectrum    1 weight  0.10000E+01 volume  0.31800E-02 ppm1      8.056 ppm2      8.423 CV     1
 ASSI { 1361}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 104  and name HN  ))
      3.300     1.300     1.300 peak  1361 spectrum    1 weight  0.10000E+01 volume  0.31817E-02 ppm1      9.242 ppm2      8.788 CV     1
 ASSI { 1362}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 96   and name HN  ))
      3.200     1.300     1.300 peak  1362 spectrum    1 weight  0.10000E+01 volume  0.31800E-02 ppm1      8.059 ppm2      7.543 CV     1
 ASSI { 1365}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 35   and name HB2 ))
      3.100     1.200     1.200 peak  1365 spectrum    1 weight  0.10000E+01 volume  0.31833E-02 ppm1      7.510 ppm2      1.779 CV     1
 OR { 1365}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 35   and name HB1 ))
 ASSI { 1366}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 35   and name HE2 ))
      3.400     1.500     1.500 peak  1366 spectrum    1 weight  0.10000E+01 volume  0.31833E-02 ppm1      7.510 ppm2      2.950 CV     1
 OR { 1366}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 35   and name HE1 ))
 ASSI { 1367}
   (( segid " 1SG" and resid 45   and name HN  ))
   (( segid " 1SG" and resid 45   and name HA  ))
      2.800     0.900     0.900 peak  1367 spectrum    1 weight  0.10000E+01 volume  0.31833E-02 ppm1      8.196 ppm2      3.486 CV     1
 ASSI { 1369}
   (( segid " 1SG" and resid 45   and name HN  ))
   (( segid " 1SG" and resid 45   and name HB2 ))
      2.500     0.800     0.800 peak  1369 spectrum    1 weight  0.10000E+01 volume  0.31833E-02 ppm1      8.195 ppm2      0.606 CV     1
 OR { 1369}
   (( segid " 1SG" and resid 45   and name HN  ))
   (( segid " 1SG" and resid 45   and name HG2 ))
 ASSI { 1371}
   (( segid " 1SG" and resid 94   and name HN  ))
   (( segid " 1SG" and resid 94   and name HA  ))
      2.700     0.900     0.900 peak  1371 spectrum    1 weight  0.10000E+01 volume  0.31833E-02 ppm1      8.337 ppm2      4.042 CV     1
 ASSI { 1373}
   (( segid " 1SG" and resid 18   and name HN  ))
   (  segid " 1SG" and resid 18   and name HG1%)
      3.300     1.400     1.400 peak  1373 spectrum    1 weight  0.10000E+01 volume  0.31833E-02 ppm1      8.005 ppm2      0.992 CV     1
 ASSI { 1374}
   (( segid " 1SG" and resid 53   and name HN  ))
   (  segid " 1SG" and resid 53   and name HG1%)
      3.500     1.500     1.500 peak  1374 spectrum    1 weight  0.10000E+01 volume  0.31833E-02 ppm1      6.764 ppm2      1.120 CV     1
 ASSI { 1376}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 21   and name HB2 ))
      3.700     1.700     1.700 peak  1376 spectrum    1 weight  0.10000E+01 volume  0.31817E-02 ppm1      8.053 ppm2      3.751 CV     1
 ASSI { 1379}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 62   and name HN  ))
      3.600     1.600     1.600 peak  1379 spectrum    1 weight  0.10000E+01 volume  0.31800E-02 ppm1      9.447 ppm2      8.851 CV     1
 ASSI { 1380}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 64   and name HN  ))
      3.500     1.600     1.600 peak  1380 spectrum    1 weight  0.10000E+01 volume  0.31800E-02 ppm1      8.721 ppm2      7.751 CV     1
 ASSI { 1381}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 87   and name HN  ))
      3.300     1.400     1.400 peak  1381 spectrum    1 weight  0.10000E+01 volume  0.31800E-02 ppm1      8.792 ppm2      9.113 CV     1
 ASSI { 1384}
   (( segid " 1SG" and resid 98   and name HN  ))
   (( segid " 1SG" and resid 98   and name HA  ))
      2.800     1.000     1.000 peak  1384 spectrum    1 weight  0.10000E+01 volume  0.31800E-02 ppm1      8.417 ppm2      4.696 CV     1
 ASSI { 1385}
   (( segid " 1SG" and resid 80   and name HN  ))
   (( segid " 1SG" and resid 80   and name HA  ))
      2.700     0.900     0.900 peak  1385 spectrum    1 weight  0.10000E+01 volume  0.31800E-02 ppm1      5.581 ppm2      4.644 CV     1
 ASSI { 1386}
   (( segid " 1SG" and resid 12   and name HN  ))
   (( segid " 1SG" and resid 12   and name HA  ))
      2.700     0.900     0.900 peak  1386 spectrum    1 weight  0.10000E+01 volume  0.31800E-02 ppm1      8.345 ppm2      4.679 CV     1
 ASSI { 1391}
   (( segid " 1SG" and resid 101  and name HN  ))
   (( segid " 1SG" and resid 101  and name HA  ))
      2.700     0.900     0.900 peak  1391 spectrum    1 weight  0.10000E+01 volume  0.31800E-02 ppm1      9.044 ppm2      5.506 CV     1
 ASSI { 1393}
   (( segid " 1SG" and resid 91   and name HN  ))
   (( segid " 1SG" and resid 90   and name HA  ))
      2.600     0.800     0.800 peak  1393 spectrum    1 weight  0.10000E+01 volume  0.31800E-02 ppm1      8.474 ppm2      4.789 CV     1
 ASSI { 1395}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 49   and name HN  ))
      2.700     0.900     0.900 peak  1395 spectrum    1 weight  0.10000E+01 volume  0.31800E-02 ppm1      8.632 ppm2      9.291 CV     1
 ASSI { 1397}
   (( segid " 1SG" and resid 33   and name HN  ))
   (( segid " 1SG" and resid 33   and name HA  ))
      2.900     1.000     1.000 peak  1397 spectrum    1 weight  0.10000E+01 volume  0.31800E-02 ppm1      7.614 ppm2      4.456 CV     1
 ASSI { 1398}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 40   and name HN  ))
      3.300     1.400     1.400 peak  1398 spectrum    1 weight  0.10000E+01 volume  0.31800E-02 ppm1      9.308 ppm2      8.696 CV     1
 ASSI { 1399}
   (( segid " 1SG" and resid 6    and name HN  ))
   (( segid " 1SG" and resid 5    and name HN  ))
      2.600     0.900     0.900 peak  1399 spectrum    1 weight  0.10000E+01 volume  0.31817E-02 ppm1      8.450 ppm2      8.143 CV     1
 ASSI { 1400}
   (( segid " 1SG" and resid 8    and name HN  ))
   (( segid " 1SG" and resid 29   and name HN  ))
      2.800     1.000     1.000 peak  1400 spectrum    1 weight  0.10000E+01 volume  0.31817E-02 ppm1      9.053 ppm2      8.853 CV     1
 ASSI { 1401}
   (( segid " 1SG" and resid 7    and name HN  ))
   (( segid " 1SG" and resid 8    and name HN  ))
      3.100     1.200     1.200 peak  1401 spectrum    1 weight  0.10000E+01 volume  0.31817E-02 ppm1      8.874 ppm2      9.052 CV     1
 ASSI { 1403}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 103  and name HN  ))
      3.100     1.200     1.200 peak  1403 spectrum    1 weight  0.10000E+01 volume  0.31817E-02 ppm1      8.312 ppm2      9.240 CV     1
 ASSI { 1406}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 48   and name HN  ))
      3.200     1.200     1.200 peak  1406 spectrum    1 weight  0.10000E+01 volume  0.31817E-02 ppm1      9.290 ppm2      8.397 CV     1
 ASSI { 1407}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 50   and name HN  ))
      3.300     1.300     1.300 peak  1407 spectrum    1 weight  0.10000E+01 volume  0.31817E-02 ppm1      7.786 ppm2      8.941 CV     1
 ASSI { 1408}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 51   and name HN  ))
      3.500     1.500     1.500 peak  1408 spectrum    1 weight  0.10000E+01 volume  0.31817E-02 ppm1      6.764 ppm2      7.881 CV     1
 ASSI { 1409}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 51   and name HA  ))
      3.000     1.100     1.100 peak  1409 spectrum    1 weight  0.10000E+01 volume  0.31817E-02 ppm1      7.784 ppm2      4.557 CV     1
 ASSI { 1411}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 58   and name HN  ))
      3.300     1.300     1.300 peak  1411 spectrum    1 weight  0.10000E+01 volume  0.31817E-02 ppm1      7.198 ppm2      8.954 CV     1
 ASSI { 1412}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 60   and name HN  ))
      3.100     1.200     1.200 peak  1412 spectrum    1 weight  0.10000E+01 volume  0.31817E-02 ppm1      9.151 ppm2      8.693 CV     1
 ASSI { 1413}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 64   and name HN  ))
      3.200     1.300     1.300 peak  1413 spectrum    1 weight  0.10000E+01 volume  0.31817E-02 ppm1      8.305 ppm2      7.754 CV     1
 ASSI { 1414}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 70   and name HN  ))
      3.300     1.300     1.300 peak  1414 spectrum    1 weight  0.10000E+01 volume  0.31817E-02 ppm1      8.724 ppm2      9.271 CV     1
 ASSI { 1417}
   (( segid " 1SG" and resid 72   and name HN  ))
   (( segid " 1SG" and resid 28   and name HN  ))
      3.200     1.300     1.300 peak  1417 spectrum    1 weight  0.10000E+01 volume  0.31817E-02 ppm1      9.295 ppm2      9.670 CV     1
 ASSI { 1419}
   (( segid " 1SG" and resid 76   and name HN  ))
   (( segid " 1SG" and resid 76   and name HA  ))
      2.600     0.800     0.800 peak  1419 spectrum    1 weight  0.10000E+01 volume  0.31817E-02 ppm1      8.925 ppm2      4.988 CV     1
 ASSI { 1420}
   (( segid " 1SG" and resid 84   and name HN  ))
   (( segid " 1SG" and resid 83   and name HA  ))
      2.800     1.000     1.000 peak  1420 spectrum    1 weight  0.10000E+01 volume  0.31817E-02 ppm1      7.866 ppm2      4.601 CV     1
 ASSI { 1422}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 100  and name HN  ))
      2.700     0.900     0.900 peak  1422 spectrum    1 weight  0.10000E+01 volume  0.31817E-02 ppm1      8.979 ppm2      8.906 CV     1
 ASSI { 1423}
   (( segid " 1SG" and resid 91   and name HN  ))
   (( segid " 1SG" and resid 91   and name HA  ))
      2.600     0.900     0.900 peak  1423 spectrum    1 weight  0.10000E+01 volume  0.31817E-02 ppm1      8.474 ppm2      4.739 CV     1
 ASSI { 1426}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 15   and name HA  ))
      2.600     0.800     0.800 peak  1426 spectrum    1 weight  0.10000E+01 volume  0.31817E-02 ppm1      8.399 ppm2      5.489 CV     1
 ASSI { 1428}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 104  and name HN  ))
      3.200     1.300     1.300 peak  1428 spectrum    1 weight  0.10000E+01 volume  0.31817E-02 ppm1      8.400 ppm2      8.792 CV     1
 ASSI { 1429}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 105  and name HN  ))
      3.000     1.100     1.100 peak  1429 spectrum    1 weight  0.10000E+01 volume  0.31817E-02 ppm1      8.150 ppm2      8.402 CV     1
 ASSI { 1430}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 85   and name HN  ))
      3.400     1.500     1.500 peak  1430 spectrum    1 weight  0.10000E+01 volume  0.31817E-02 ppm1      8.149 ppm2      9.408 CV     1
 ASSI { 1433}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 106  and name HA  ))
      2.600     0.800     0.800 peak  1433 spectrum    1 weight  0.10000E+01 volume  0.31817E-02 ppm1      8.151 ppm2      4.725 CV     1
 ASSI { 1434}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 65   and name HA  ))
      2.900     1.100     1.100 peak  1434 spectrum    1 weight  0.10000E+01 volume  0.31817E-02 ppm1      6.900 ppm2      3.449 CV     1
 ASSI { 1435}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 78   and name HN  ))
      3.600     1.600     1.600 peak  1435 spectrum    1 weight  0.10000E+01 volume  0.31817E-02 ppm1      8.889 ppm2      8.054 CV     1
 ASSI { 1437}
   (( segid " 1SG" and resid 19   and name HN  ))
   (( segid " 1SG" and resid 20   and name HA1 ))
      3.800     1.800     1.800 peak  1437 spectrum    1 weight  0.10000E+01 volume  0.31817E-02 ppm1      9.827 ppm2      3.729 CV     1
 ASSI { 1438}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 37   and name HA  ))
      3.300     1.400     1.400 peak  1438 spectrum    1 weight  0.10000E+01 volume  0.31817E-02 ppm1      8.735 ppm2      4.487 CV     1
 ASSI { 1439}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 39   and name HA  ))
      3.200     1.300     1.300 peak  1439 spectrum    1 weight  0.10000E+01 volume  0.31817E-02 ppm1      8.735 ppm2      4.801 CV     1
 ASSI { 1440}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 43   and name HA  ))
      3.100     1.200     1.200 peak  1440 spectrum    1 weight  0.10000E+01 volume  0.31817E-02 ppm1      9.108 ppm2      4.132 CV     1
 ASSI { 1441}
   (( segid " 1SG" and resid 86   and name HN  ))
   (( segid " 1SG" and resid 103  and name HA  ))
      3.500     1.500     1.500 peak  1441 spectrum    1 weight  0.10000E+01 volume  0.31817E-02 ppm1      7.948 ppm2      5.544 CV     1
 ASSI { 1442}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 48   and name HA  ))
      2.800     1.000     1.000 peak  1442 spectrum    1 weight  0.10000E+01 volume  0.31817E-02 ppm1      8.628 ppm2      4.192 CV     1
 ASSI { 1443}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 86   and name HA2 ))
      2.900     1.000     1.000 peak  1443 spectrum    1 weight  0.10000E+01 volume  0.31817E-02 ppm1      8.796 ppm2      4.658 CV     1
 ASSI { 1444}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 14   and name HN  ))
      3.000     1.100     1.100 peak  1444 spectrum    1 weight  0.10000E+01 volume  0.31817E-02 ppm1      8.400 ppm2      9.191 CV     1
 ASSI { 1445}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 102  and name HA  ))
      2.900     1.100     1.100 peak  1445 spectrum    1 weight  0.10000E+01 volume  0.31817E-02 ppm1      8.313 ppm2      4.987 CV     1
 ASSI { 1446}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 9    and name HB2 ))
      2.800     1.000     1.000 peak  1446 spectrum    1 weight  0.10000E+01 volume  0.31833E-02 ppm1      7.887 ppm2      1.892 CV     1
 ASSI { 1447}
   (( segid " 1SG" and resid 80   and name HN  ))
   (( segid " 1SG" and resid 80   and name HB1 ))
      2.700     0.900     0.900 peak  1447 spectrum    1 weight  0.10000E+01 volume  0.31833E-02 ppm1      5.579 ppm2      1.960 CV     1
 OR { 1447}
   (( segid " 1SG" and resid 80   and name HN  ))
   (( segid " 1SG" and resid 80   and name HB2 ))
 ASSI { 1448}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 23   and name HN  ))
      3.300     1.400     1.400 peak  1448 spectrum    1 weight  0.10000E+01 volume  0.31833E-02 ppm1      9.239 ppm2      7.917 CV     1
 ASSI { 1449}
   (( segid " 1SG" and resid 42   and name HN  ))
   (( segid " 1SG" and resid 41   and name HD1 ))
      3.700     3.700     2.300 peak  1449 spectrum    1 weight  0.10000E+01 volume  0.31833E-02 ppm1      9.447 ppm2      7.131 CV     1
 ASSI { 1450}
   (( segid " 1SG" and resid 46   and name HN  ))
   (( segid " 1SG" and resid 46   and name HD1 ))
      2.600     0.900     0.900 peak  1450 spectrum    1 weight  0.10000E+01 volume  0.31833E-02 ppm1      8.216 ppm2      7.132 CV     1
 ASSI { 1452}
   (( segid " 1SG" and resid 56   and name HN  ))
   (( segid " 1SG" and resid 56   and name HB2 ))
      3.300     1.400     1.400 peak  1452 spectrum    1 weight  0.10000E+01 volume  0.31833E-02 ppm1      8.383 ppm2      3.101 CV     1
 ASSI { 1453}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 103  and name HB2 ))
      3.000     3.000     3.000 peak  1453 spectrum    1 weight  0.10000E+01 volume  0.31833E-02 ppm1      9.184 ppm2      2.498 CV     1
 ASSI { 1455}
   (( segid " 1SG" and resid 86   and name HN  ))
   (  segid " 1SG" and resid 87   and name HD% )
      2.900     1.000     1.000 peak  1455 spectrum    1 weight  0.10000E+01 volume  0.31833E-02 ppm1      7.948 ppm2      6.794 CV     1
 ASSI { 1456}
   (( segid " 1SG" and resid 86   and name HN  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      3.300     3.300     2.700 peak  1456 spectrum    1 weight  0.10000E+01 volume  0.31833E-02 ppm1      7.946 ppm2      1.498 CV     1
 ASSI { 1458}
   (( segid " 1SG" and resid 5    and name HN  ))
   (( segid " 1SG" and resid 96   and name HB2 ))
      3.200     3.200     2.800 peak  1458 spectrum    1 weight  0.10000E+01 volume  0.31833E-02 ppm1      8.144 ppm2      1.572 CV     1
 ASSI { 1459}
   (( segid " 1SG" and resid 5    and name HN  ))
   (( segid " 1SG" and resid 4    and name HG12))
      3.800     1.800     1.800 peak  1459 spectrum    1 weight  0.10000E+01 volume  0.31833E-02 ppm1      8.143 ppm2      1.230 CV     1
 ASSI { 1460}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 64   and name HB2 ))
      3.200     1.300     1.300 peak  1460 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      7.421 ppm2      2.339 CV     1
 ASSI { 1461}
   (( segid " 1SG" and resid 20   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.500     1.600     1.600 peak  1461 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      8.824 ppm2      0.376 CV     1
 ASSI { 1462}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 18   and name HN  ))
      3.300     3.300     2.700 peak  1462 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      8.828 ppm2      8.005 CV     1
 ASSI { 1463}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 63   and name HN  ))
      3.200     1.300     1.300 peak  1463 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      8.848 ppm2      8.521 CV     1
 ASSI { 1465}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 95   and name HB2 ))
      2.600     0.800     0.800 peak  1465 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      7.971 ppm2      2.631 CV     1
 ASSI { 1466}
   (( segid " 1SG" and resid 95   and name HN  ))
   (  segid " 1SG" and resid 93   and name HG2%)
      3.500     1.600     1.600 peak  1466 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      7.969 ppm2      1.024 CV     1
 ASSI { 1468}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 80   and name HG1 ))
      2.800     1.000     1.000 peak  1468 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      8.254 ppm2      2.168 CV     1
 OR { 1468}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 80   and name HG2 ))
 ASSI { 1469}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 106  and name HB  ))
      3.200     1.300     1.300 peak  1469 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      8.253 ppm2      1.861 CV     1
 ASSI { 1471}
   (( segid " 1SG" and resid 83   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.100     1.200     1.200 peak  1471 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      8.254 ppm2      0.372 CV     1
 ASSI { 1472}
   (( segid " 1SG" and resid 93   and name HN  ))
   (  segid " 1SG" and resid 97   and name HD% )
      3.200     1.300     1.300 peak  1472 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      8.557 ppm2      7.094 CV     1
 ASSI { 1473}
   (( segid " 1SG" and resid 93   and name HN  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      3.000     1.100     1.100 peak  1473 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      8.557 ppm2      0.177 CV     1
 ASSI { 1477}
   (( segid " 1SG" and resid 85   and name HN  ))
   (( segid " 1SG" and resid 103  and name HA  ))
      3.300     3.300     2.700 peak  1477 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      9.405 ppm2      5.536 CV     1
 ASSI { 1478}
   (( segid " 1SG" and resid 25   and name HN  ))
   (  segid " 1SG" and resid 23   and name HG2%)
      3.300     1.400     1.400 peak  1478 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      8.401 ppm2      0.771 CV     1
 ASSI { 1480}
   (( segid " 1SG" and resid 44   and name HN  ))
   (  segid " 1SG" and resid 87   and name HD% )
      2.600     0.900     0.900 peak  1480 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      8.211 ppm2      6.801 CV     1
 ASSI { 1482}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 43   and name HD2 ))
      3.700     1.700     1.700 peak  1482 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      8.212 ppm2      1.314 CV     1
 OR { 1482}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 43   and name HD1 ))
 ASSI { 1483}
   (( segid " 1SG" and resid 51   and name HN  ))
   (( segid " 1SG" and resid 49   and name HG  ))
      3.200     3.200     2.800 peak  1483 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      7.878 ppm2      0.784 CV     1
 ASSI { 1484}
   (( segid " 1SG" and resid 51   and name HN  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      3.100     1.200     1.200 peak  1484 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      7.879 ppm2      1.071 CV     1
 ASSI { 1485}
   (( segid " 1SG" and resid 51   and name HN  ))
   (( segid " 1SG" and resid 52   and name HB2 ))
      3.400     1.500     1.500 peak  1485 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      7.881 ppm2      1.710 CV     1
 ASSI { 1486}
   (( segid " 1SG" and resid 7    and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.500     1.500     1.500 peak  1486 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      8.875 ppm2      0.469 CV     1
 ASSI { 1488}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 48   and name HB2 ))
      3.100     1.200     1.200 peak  1488 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      8.940 ppm2      2.935 CV     1
 ASSI { 1490}
   (( segid " 1SG" and resid 69   and name HN  ))
   (  segid " 1SG" and resid 63   and name HD% )
      2.400     2.400     3.600 peak  1490 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      6.899 ppm2      5.903 CV     1
 ASSI { 1491}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 67   and name HA  ))
      3.400     1.500     1.500 peak  1491 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      6.897 ppm2      4.292 CV     1
 ASSI { 1494}
   (( segid " 1SG" and resid 83   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      3.600     1.600     1.600 peak  1494 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      8.257 ppm2      1.183 CV     1
 ASSI { 1495}
   (( segid " 1SG" and resid 70   and name HN  ))
   (  segid " 1SG" and resid 28   and name HG2%)
      3.200     1.300     1.300 peak  1495 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      9.272 ppm2      0.629 CV     1
 ASSI { 1497}
   (( segid " 1SG" and resid 70   and name HN  ))
   (  segid " 1SG" and resid 70   and name HE% )
      3.400     1.400     1.400 peak  1497 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      9.270 ppm2      6.632 CV     1
 ASSI { 1498}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 100  and name HN  ))
      3.300     1.400     1.400 peak  1498 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      9.228 ppm2      8.896 CV     1
 ASSI { 1499}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 98   and name HN  ))
      3.300     1.400     1.400 peak  1499 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      9.228 ppm2      8.427 CV     1
 ASSI { 1501}
   (( segid " 1SG" and resid 80   and name HN  ))
   (  segid " 1SG" and resid 83   and name HE% )
      3.100     1.200     1.200 peak  1501 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      5.580 ppm2      7.264 CV     1
 ASSI { 1503}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 34   and name HN  ))
      2.600     0.800     0.800 peak  1503 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      7.510 ppm2      8.687 CV     1
 ASSI { 1504}
   (( segid " 1SG" and resid 92   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.100     1.200     1.200 peak  1504 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      8.734 ppm2      0.473 CV     1
 ASSI { 1505}
   (( segid " 1SG" and resid 92   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG1%)
      2.400     2.400     3.600 peak  1505 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      8.735 ppm2     -0.083 CV     1
 ASSI { 1506}
   (( segid " 1SG" and resid 19   and name HN  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      3.000     1.200     1.200 peak  1506 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      9.827 ppm2      0.599 CV     1
 ASSI { 1507}
   (( segid " 1SG" and resid 42   and name HN  ))
   (  segid " 1SG" and resid 49   and name HD2%)
      3.400     1.500     1.500 peak  1507 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      9.445 ppm2      1.011 CV     1
 ASSI { 1510}
   (( segid " 1SG" and resid 42   and name HN  ))
   (( segid " 1SG" and resid 41   and name HB2 ))
      3.400     1.400     1.400 peak  1510 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      9.448 ppm2      3.149 CV     1
 ASSI { 1511}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 103  and name HD21))
      2.900     1.000     1.000 peak  1511 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      9.241 ppm2      7.722 CV     1
 ASSI { 1513}
   (( segid " 1SG" and resid 79   and name HN  ))
   (  segid " 1SG" and resid 83   and name HE% )
      3.300     3.300     2.700 peak  1513 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      8.973 ppm2      7.265 CV     1
 ASSI { 1514}
   (( segid " 1SG" and resid 79   and name HN  ))
   (  segid " 1SG" and resid 83   and name HD% )
      3.600     1.600     1.600 peak  1514 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      8.973 ppm2      7.109 CV     1
 ASSI { 1515}
   (( segid " 1SG" and resid 79   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.100     1.200     1.200 peak  1515 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      8.973 ppm2      0.382 CV     1
 ASSI { 1518}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HD2 ))
      3.300     1.400     1.400 peak  1518 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      8.896 ppm2      3.106 CV     1
 OR { 1518}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HD1 ))
 ASSI { 1519}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 9    and name HG2 ))
      3.100     1.200     1.200 peak  1519 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      8.892 ppm2      2.504 CV     1
 ASSI { 1520}
   (( segid " 1SG" and resid 100  and name HN  ))
   (( segid " 1SG" and resid 89   and name HB2 ))
      2.800     2.800     3.200 peak  1520 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      8.895 ppm2      2.307 CV     1
 ASSI { 1521}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HG1 ))
      2.700     0.900     0.900 peak  1521 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      8.890 ppm2      1.675 CV     1
 OR { 1521}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HG2 ))
 ASSI { 1522}
   (( segid " 1SG" and resid 27   and name HN  ))
   (  segid " 1SG" and resid 28   and name HG2%)
      3.000     3.000     3.000 peak  1522 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      8.891 ppm2      0.632 CV     1
 ASSI { 1523}
   (( segid " 1SG" and resid 94   and name HN  ))
   (( segid " 1SG" and resid 93   and name HB  ))
      2.500     0.800     0.800 peak  1523 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      8.338 ppm2      4.555 CV     1
 ASSI { 1526}
   (( segid " 1SG" and resid 17   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.100     3.100     2.900 peak  1526 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      7.898 ppm2      0.371 CV     1
 ASSI { 1527}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 61   and name HB2 ))
      3.700     3.700     2.300 peak  1527 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      9.450 ppm2      2.295 CV     1
 ASSI { 1530}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 60   and name HA  ))
      3.000     3.000     3.000 peak  1530 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      9.450 ppm2      5.073 CV     1
 ASSI { 1534}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 16   and name HB  ))
      3.100     3.100     2.900 peak  1534 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      8.502 ppm2      1.802 CV     1
 ASSI { 1535}
   (( segid " 1SG" and resid 38   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG2%)
      3.000     1.100     1.100 peak  1535 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      8.374 ppm2     -0.453 CV     1
 ASSI { 1537}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 68   and name HA  ))
      3.900     1.900     1.900 peak  1537 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      8.106 ppm2      3.600 CV     1
 ASSI { 1538}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 65   and name HD1 ))
      3.300     3.300     2.700 peak  1538 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      8.106 ppm2      3.228 CV     1
 OR { 1538}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 65   and name HD2 ))
 ASSI { 1539}
   (( segid " 1SG" and resid 84   and name HN  ))
   (  segid " 1SG" and resid 83   and name HD% )
      3.400     1.500     1.500 peak  1539 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      7.866 ppm2      7.112 CV     1
 ASSI { 1540}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 74   and name HA  ))
      3.300     1.400     1.400 peak  1540 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      8.940 ppm2      4.324 CV     1
 ASSI { 1542}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 22   and name HG12))
      3.600     1.600     1.600 peak  1542 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      8.888 ppm2      0.075 CV     1
 ASSI { 1543}
   (( segid " 1SG" and resid 104  and name HN  ))
   (  segid " 1SG" and resid 106  and name HG1%)
      3.200     3.200     2.800 peak  1543 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      8.793 ppm2      0.667 CV     1
 ASSI { 1549}
   (( segid " 1SG" and resid 26   and name HN  ))
   (( segid " 1SG" and resid 27   and name HN  ))
      3.200     1.300     1.300 peak  1549 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      9.498 ppm2      8.892 CV     1
 ASSI { 1550}
   (( segid " 1SG" and resid 26   and name HN  ))
   (  segid " 1SG" and resid 72   and name HD% )
      3.300     3.300     2.700 peak  1550 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      9.498 ppm2      7.311 CV     1
 ASSI { 1551}
   (( segid " 1SG" and resid 26   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD2%)
      3.500     1.600     1.600 peak  1551 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      9.495 ppm2      0.760 CV     1
 ASSI { 1552}
   (( segid " 1SG" and resid 41   and name HN  ))
   (  segid " 1SG" and resid 49   and name HD2%)
      3.600     1.600     1.600 peak  1552 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      9.306 ppm2      1.018 CV     1
 ASSI { 1553}
   (( segid " 1SG" and resid 41   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD1%)
      3.200     1.300     1.300 peak  1553 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      9.307 ppm2      0.856 CV     1
 ASSI { 1554}
   (( segid " 1SG" and resid 41   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD2%)
      3.600     1.600     1.600 peak  1554 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      9.307 ppm2      0.688 CV     1
 ASSI { 1555}
   (( segid " 1SG" and resid 41   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG1%)
      3.100     1.200     1.200 peak  1555 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      9.308 ppm2     -0.081 CV     1
 ASSI { 1557}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 74   and name HB2 ))
      2.400     0.700     0.700 peak  1557 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      9.237 ppm2     -0.838 CV     1
 ASSI { 1560}
   (( segid " 1SG" and resid 76   and name HN  ))
   (  segid " 1SG" and resid 76   and name HD1%)
      3.300     1.400     1.400 peak  1560 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      8.926 ppm2      0.649 CV     1
 ASSI { 1561}
   (( segid " 1SG" and resid 76   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD1%)
      3.700     1.700     1.700 peak  1561 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      8.926 ppm2      0.405 CV     1
 OR { 1561}
   (( segid " 1SG" and resid 76   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD2%)
 ASSI { 1563}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 90   and name HB2 ))
      3.100     1.200     1.200 peak  1563 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      8.696 ppm2      2.025 CV     1
 ASSI { 1564}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 40   and name HD1 ))
      3.100     1.200     1.200 peak  1564 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      8.694 ppm2      1.685 CV     1
 OR { 1564}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 40   and name HD2 ))
 ASSI { 1565}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 40   and name HG1 ))
      2.600     0.800     0.800 peak  1565 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      8.694 ppm2      1.238 CV     1
 OR { 1565}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 40   and name HG2 ))
 ASSI { 1566}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 41   and name HH2 ))
      2.800     2.800     3.200 peak  1566 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      8.470 ppm2      6.611 CV     1
 ASSI { 1570}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 75   and name HN  ))
      3.300     1.300     1.300 peak  1570 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      8.471 ppm2      9.160 CV     1
 ASSI { 1572}
   (( segid " 1SG" and resid 8    and name HN  ))
   (  segid " 1SG" and resid 28   and name HG1%)
      3.300     1.400     1.400 peak  1572 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      9.052 ppm2      0.818 CV     1
 ASSI { 1573}
   (( segid " 1SG" and resid 8    and name HN  ))
   (  segid " 1SG" and resid 29   and name HB% )
      3.300     1.400     1.400 peak  1573 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      9.052 ppm2      1.513 CV     1
 ASSI { 1574}
   (( segid " 1SG" and resid 8    and name HN  ))
   (( segid " 1SG" and resid 7    and name HB2 ))
      3.500     1.500     1.500 peak  1574 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      9.052 ppm2      2.577 CV     1
 ASSI { 1576}
   (( segid " 1SG" and resid 87   and name HN  ))
   (  segid " 1SG" and resid 87   and name HE% )
      3.700     1.700     1.700 peak  1576 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      9.114 ppm2      6.589 CV     1
 ASSI { 1577}
   (( segid " 1SG" and resid 31   and name HN  ))
   (( segid " 1SG" and resid 29   and name HA  ))
      3.100     1.200     1.200 peak  1577 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      8.417 ppm2      4.392 CV     1
 ASSI { 1578}
   (( segid " 1SG" and resid 31   and name HN  ))
   (( segid " 1SG" and resid 30   and name HA1 ))
      2.500     0.800     0.800 peak  1578 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      8.418 ppm2      3.945 CV     1
 ASSI { 1579}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 62   and name HA  ))
      2.900     2.900     3.100 peak  1579 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      8.722 ppm2      4.598 CV     1
 ASSI { 1582}
   (( segid " 1SG" and resid 10   and name HN  ))
   (( segid " 1SG" and resid 9    and name HB2 ))
      3.300     1.400     1.400 peak  1582 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      8.852 ppm2      1.895 CV     1
 ASSI { 1584}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (( segid " 1SG" and resid 41   and name HH2 ))
      3.500     1.500     1.500 peak  1584 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1     10.779 ppm2      6.612 CV     1
 ASSI { 1585}
   (( segid " 1SG" and resid 21   and name HN  ))
   (( segid " 1SG" and resid 21   and name HB2 ))
      3.000     1.100     1.100 peak  1585 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      8.170 ppm2      3.751 CV     1
 ASSI { 1587}
   (( segid " 1SG" and resid 23   and name HN  ))
   (  segid " 1SG" and resid 22   and name HG2%)
      3.500     1.500     1.500 peak  1587 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      7.913 ppm2      0.580 CV     1
 ASSI { 1588}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      2.600     0.900     0.900 peak  1588 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      9.673 ppm2      2.815 CV     1
 ASSI { 1589}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 37   and name HB2 ))
      2.800     2.800     3.200 peak  1589 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      7.892 ppm2      1.363 CV     1
 ASSI { 1590}
   (( segid " 1SG" and resid 39   and name HN  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      3.200     1.300     1.300 peak  1590 spectrum    1 weight  0.10000E+01 volume  0.31834E-02 ppm1      7.893 ppm2      0.175 CV     1
 ASSI { 1592}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 93   and name HB  ))
      2.700     0.900     0.900 peak  1592 spectrum    1 weight  0.10000E+01 volume  0.31882E-02 ppm1      7.547 ppm2      4.555 CV     1
 ASSI { 1593}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 95   and name HB2 ))
      3.400     1.500     1.500 peak  1593 spectrum    1 weight  0.10000E+01 volume  0.31882E-02 ppm1      7.546 ppm2      2.632 CV     1
 ASSI { 1595}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 95   and name HA  ))
      3.000     1.100     1.100 peak  1595 spectrum    1 weight  0.10000E+01 volume  0.31882E-02 ppm1      7.548 ppm2      4.750 CV     1
 ASSI { 1596}
   (( segid " 1SG" and resid 98   and name HN  ))
   (( segid " 1SG" and resid 7    and name HB2 ))
      3.200     3.200     2.800 peak  1596 spectrum    1 weight  0.10000E+01 volume  0.31882E-02 ppm1      8.415 ppm2      2.581 CV     1
 ASSI { 1597}
   (( segid " 1SG" and resid 101  and name HN  ))
   (( segid " 1SG" and resid 100  and name HB2 ))
      3.100     1.200     1.200 peak  1597 spectrum    1 weight  0.10000E+01 volume  0.31882E-02 ppm1      9.044 ppm2      2.950 CV     1
 ASSI { 1598}
   (( segid " 1SG" and resid 105  and name HN  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      3.400     1.400     1.400 peak  1598 spectrum    1 weight  0.10000E+01 volume  0.31882E-02 ppm1      8.401 ppm2      1.492 CV     1
 ASSI { 1599}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 15   and name HG2 ))
      3.100     1.200     1.200 peak  1599 spectrum    1 weight  0.10000E+01 volume  0.31882E-02 ppm1      8.404 ppm2      2.261 CV     1
 OR { 1599}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 15   and name HG1 ))
 ASSI { 1602}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 105  and name HB  ))
      3.200     1.300     1.300 peak  1602 spectrum    1 weight  0.10000E+01 volume  0.31882E-02 ppm1      8.150 ppm2      3.935 CV     1
 ASSI { 1603}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 106  and name HB  ))
      3.600     1.700     1.700 peak  1603 spectrum    1 weight  0.10000E+01 volume  0.31882E-02 ppm1      8.820 ppm2      1.850 CV     1
 ASSI { 1605}
   (( segid " 1SG" and resid 38   and name HN  ))
   (  segid " 1SG" and resid 38   and name HG2%)
      2.700     0.900     0.900 peak  1605 spectrum    1 weight  0.10000E+01 volume  0.31882E-02 ppm1      8.373 ppm2      0.790 CV     1
 ASSI { 1606}
   (( segid " 1SG" and resid 19   and name HN  ))
   (( segid " 1SG" and resid 19   and name HA2 ))
      2.600     0.800     0.800 peak  1606 spectrum    1 weight  0.10000E+01 volume  0.31882E-02 ppm1      9.828 ppm2      4.311 CV     1
 ASSI { 1608}
   (( segid " 1SG" and resid 85   and name HN  ))
   (  segid " 1SG" and resid 87   and name HD% )
      3.100     3.100     2.900 peak  1608 spectrum    1 weight  0.10000E+01 volume  0.31882E-02 ppm1      9.409 ppm2      6.792 CV     1
 ASSI { 1613}
   (( segid " 1SG" and resid 28   and name HN  ))
   (  segid " 1SG" and resid 72   and name HD% )
      2.900     1.100     1.100 peak  1613 spectrum    1 weight  0.10000E+01 volume  0.31898E-02 ppm1      9.673 ppm2      7.309 CV     1
 ASSI { 1614}
   (( segid " 1SG" and resid 68   and name HN  ))
   (( segid " 1SG" and resid 66   and name HA  ))
      3.400     1.500     1.500 peak  1614 spectrum    1 weight  0.10000E+01 volume  0.31882E-02 ppm1      7.876 ppm2      4.125 CV     1
 ASSI {    1}
   (( segid " 1SG" and resid 43   and name HD1 ))
   (( segid " 1SG" and resid 43   and name HG2 ))
      2.100     0.500     0.500 peak     1 spectrum    1 weight  0.10000E+01 volume  0.91027E-02 ppm1      1.317 ppm2      0.086 CV     1
 OR {    1}
   (( segid " 1SG" and resid 43   and name HD2 ))
   (( segid " 1SG" and resid 43   and name HG2 ))
 ASSI {   16}
   (( segid " 1SG" and resid 65   and name HG1 ))
   (( segid " 1SG" and resid 65   and name HB2 ))
      2.100     0.600     0.600 peak    16 spectrum    1 weight  0.10000E+01 volume  0.91098E-02 ppm1      1.688 ppm2      1.765 CV     1
 OR {   16}
   (( segid " 1SG" and resid 65   and name HG1 ))
   (( segid " 1SG" and resid 65   and name HB1 ))
 OR {   16}
   (( segid " 1SG" and resid 65   and name HG2 ))
   (( segid " 1SG" and resid 65   and name HB2 ))
 OR {   16}
   (( segid " 1SG" and resid 65   and name HG2 ))
   (( segid " 1SG" and resid 65   and name HB1 ))
 ASSI {   40}
   (( segid " 1SG" and resid 15   and name HA  ))
   (( segid " 1SG" and resid 15   and name HB1 ))
      2.100     0.600     0.600 peak    40 spectrum    1 weight  0.10000E+01 volume  0.91055E-02 ppm1      5.471 ppm2      1.987 CV     1
 OR {   40}
   (( segid " 1SG" and resid 15   and name HA  ))
   (( segid " 1SG" and resid 15   and name HB2 ))
 ASSI {   41}
   (( segid " 1SG" and resid 41   and name HA  ))
   (( segid " 1SG" and resid 90   and name HB2 ))
      2.400     2.400     3.600 peak    41 spectrum    1 weight  0.10000E+01 volume  0.89808E-02 ppm1      5.495 ppm2      2.057 CV     1
 ASSI {   49}
   (( segid " 1SG" and resid 41   and name HA  ))
   (( segid " 1SG" and resid 89   and name HA  ))
      2.100     0.500     0.500 peak    49 spectrum    1 weight  0.10000E+01 volume  0.89808E-02 ppm1      5.469 ppm2      4.978 CV     1
 ASSI {   98}
   (( segid " 1SG" and resid 87   and name HA  ))
   (( segid " 1SG" and resid 43   and name HA  ))
      2.000     0.500     0.500 peak    98 spectrum    1 weight  0.10000E+01 volume  0.89808E-02 ppm1      4.980 ppm2      4.145 CV     1
 ASSI {  134}
   (( segid " 1SG" and resid 1    and name HA  ))
   (( segid " 1SG" and resid 1    and name HB2 ))
      2.200     0.600     0.600 peak   134 spectrum    1 weight  0.10000E+01 volume  0.89958E-02 ppm1      4.624 ppm2      2.609 CV     1
 ASSI {  155}
   (( segid " 1SG" and resid 9    and name HA  ))
   (( segid " 1SG" and resid 9    and name HG2 ))
      2.300     0.700     0.700 peak   155 spectrum    1 weight  0.10000E+01 volume  0.89958E-02 ppm1      4.653 ppm2      2.522 CV     1
 ASSI {  159}
   (  segid " 1SG" and resid 93   and name HG2%)
   (( segid " 1SG" and resid 37   and name HA  ))
      2.100     0.500     0.500 peak   159 spectrum    1 weight  0.10000E+01 volume  0.90877E-02 ppm1      1.041 ppm2      4.505 CV     1
 ASSI {  167}
   (( segid " 1SG" and resid 40   and name HA  ))
   (( segid " 1SG" and resid 40   and name HG1 ))
      2.500     0.800     0.800 peak   167 spectrum    1 weight  0.10000E+01 volume  0.89958E-02 ppm1      4.550 ppm2      1.286 CV     1
 OR {  167}
   (( segid " 1SG" and resid 40   and name HA  ))
   (( segid " 1SG" and resid 40   and name HG2 ))
 ASSI {  173}
   (( segid " 1SG" and resid 92   and name HB1 ))
   (( segid " 1SG" and resid 38   and name HA  ))
      1.600     1.600     4.400 peak   173 spectrum    1 weight  0.10000E+01 volume  0.25445E-01 ppm1      3.883 ppm2      3.881 CV     1
 OR {  173}
   (( segid " 1SG" and resid 92   and name HB2 ))
   (( segid " 1SG" and resid 38   and name HA  ))
 ASSI {  174}
   (( segid " 1SG" and resid 72   and name HB2 ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      2.000     2.000     4.000 peak   174 spectrum    1 weight  0.10000E+01 volume  0.24957E-01 ppm1      2.926 ppm2      2.791 CV     1
 ASSI {  175}
   (( segid " 1SG" and resid 32   and name HA  ))
   (( segid " 1SG" and resid 32   and name HB1 ))
      2.200     0.600     0.600 peak   175 spectrum    1 weight  0.10000E+01 volume  0.89958E-02 ppm1      4.518 ppm2      3.914 CV     1
 OR {  175}
   (( segid " 1SG" and resid 32   and name HA  ))
   (( segid " 1SG" and resid 32   and name HB2 ))
 ASSI {  183}
   (( segid " 1SG" and resid 74   and name HA  ))
   (( segid " 1SG" and resid 59   and name HA  ))
      2.000     0.500     0.500 peak   183 spectrum    1 weight  0.10000E+01 volume  0.89958E-02 ppm1      4.344 ppm2      5.189 CV     1
 ASSI {  185}
   (( segid " 1SG" and resid 74   and name HA  ))
   (  segid " 1SG" and resid 74   and name HD2%)
      2.000     0.500     0.500 peak   185 spectrum    1 weight  0.10000E+01 volume  0.89958E-02 ppm1      4.326 ppm2      0.405 CV     1
 OR {  185}
   (( segid " 1SG" and resid 74   and name HA  ))
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI {  218}
   (( segid " 1SG" and resid 94   and name HD2 ))
   (( segid " 1SG" and resid 94   and name HG1 ))
      1.800     0.400     0.400 peak   218 spectrum    1 weight  0.10000E+01 volume  0.21098E-01 ppm1      1.680 ppm2      1.415 CV     1
 OR {  218}
   (( segid " 1SG" and resid 94   and name HD1 ))
   (( segid " 1SG" and resid 94   and name HG2 ))
 OR {  218}
   (( segid " 1SG" and resid 94   and name HD2 ))
   (( segid " 1SG" and resid 94   and name HG2 ))
 OR {  218}
   (( segid " 1SG" and resid 94   and name HD1 ))
   (( segid " 1SG" and resid 94   and name HG1 ))
 ASSI {  219}
   (( segid " 1SG" and resid 55   and name HB2 ))
   (( segid " 1SG" and resid 55   and name HG1 ))
      1.900     0.400     0.400 peak   219 spectrum    1 weight  0.10000E+01 volume  0.21044E-01 ppm1      1.784 ppm2      1.983 CV     1
 OR {  219}
   (( segid " 1SG" and resid 55   and name HB2 ))
   (( segid " 1SG" and resid 55   and name HG2 ))
 ASSI {  275}
   (( segid " 1SG" and resid 81   and name HB2 ))
   (( segid " 1SG" and resid 81   and name HA  ))
      2.300     0.700     0.700 peak   275 spectrum    1 weight  0.10000E+01 volume  0.90114E-02 ppm1      1.927 ppm2      4.000 CV     1
 ASSI {  282}
   (  segid " 1SG" and resid 84   and name HG2%)
   (( segid " 1SG" and resid 84   and name HB  ))
      2.000     0.500     0.500 peak   282 spectrum    1 weight  0.10000E+01 volume  0.14865E-01 ppm1      1.497 ppm2      4.224 CV     1
 OR {  282}
   (  segid " 1SG" and resid 84   and name HG2%)
   (( segid " 1SG" and resid 84   and name HA  ))
 ASSI {  302}
   (  segid " 1SG" and resid 4    and name HD1%)
   (( segid " 1SG" and resid 4    and name HB  ))
      2.100     0.500     0.500 peak   302 spectrum    1 weight  0.10000E+01 volume  0.90150E-02 ppm1      0.966 ppm2      2.051 CV     1
 ASSI {  313}
   (  segid " 1SG" and resid 66   and name HB% )
   (( segid " 1SG" and resid 66   and name HA  ))
      2.100     0.500     0.500 peak   313 spectrum    1 weight  0.10000E+01 volume  0.12527E-01 ppm1      1.419 ppm2      4.132 CV     1
 ASSI {  316}
   (( segid " 1SG" and resid 35   and name HG1 ))
   (( segid " 1SG" and resid 35   and name HB2 ))
      2.100     0.500     0.500 peak   316 spectrum    1 weight  0.10000E+01 volume  0.90307E-02 ppm1      1.346 ppm2      1.779 CV     1
 OR {  316}
   (( segid " 1SG" and resid 35   and name HG1 ))
   (( segid " 1SG" and resid 35   and name HB1 ))
 OR {  316}
   (( segid " 1SG" and resid 35   and name HG2 ))
   (( segid " 1SG" and resid 35   and name HB2 ))
 OR {  316}
   (( segid " 1SG" and resid 35   and name HG2 ))
   (( segid " 1SG" and resid 35   and name HB1 ))
 ASSI {  318}
   (( segid " 1SG" and resid 52   and name HG1 ))
   (( segid " 1SG" and resid 52   and name HB2 ))
      2.200     0.600     0.600 peak   318 spectrum    1 weight  0.10000E+01 volume  0.90307E-02 ppm1      1.347 ppm2      1.689 CV     1
 OR {  318}
   (( segid " 1SG" and resid 52   and name HG2 ))
   (( segid " 1SG" and resid 52   and name HB2 ))
 ASSI {  323}
   (( segid " 1SG" and resid 94   and name HG1 ))
   (( segid " 1SG" and resid 94   and name HB2 ))
      2.100     0.500     0.500 peak   323 spectrum    1 weight  0.10000E+01 volume  0.90307E-02 ppm1      1.415 ppm2      1.794 CV     1
 OR {  323}
   (( segid " 1SG" and resid 94   and name HG2 ))
   (( segid " 1SG" and resid 94   and name HB2 ))
 ASSI {  328}
   (( segid " 1SG" and resid 34   and name HG  ))
   (  segid " 1SG" and resid 34   and name HD2%)
      2.100     0.600     0.600 peak   328 spectrum    1 weight  0.10000E+01 volume  0.90307E-02 ppm1      0.934 ppm2      0.862 CV     1
 OR {  328}
   (( segid " 1SG" and resid 34   and name HG  ))
   (  segid " 1SG" and resid 34   and name HD1%)
 ASSI {  335}
   (( segid " 1SG" and resid 3    and name HB1 ))
   (( segid " 1SG" and resid 4    and name HB  ))
      2.500     2.500     3.500 peak   335 spectrum    1 weight  0.10000E+01 volume  0.11410E-01 ppm1      2.299 ppm2      2.004 CV     1
 OR {  335}
   (( segid " 1SG" and resid 3    and name HB2 ))
   (( segid " 1SG" and resid 4    and name HB  ))
 ASSI {  336}
   (( segid " 1SG" and resid 68   and name HD2 ))
   (( segid " 1SG" and resid 68   and name HB2 ))
      2.200     0.600     0.600 peak   336 spectrum    1 weight  0.10000E+01 volume  0.90307E-02 ppm1      1.673 ppm2      1.771 CV     1
 OR {  336}
   (( segid " 1SG" and resid 68   and name HD1 ))
   (( segid " 1SG" and resid 68   and name HB2 ))
 ASSI {  342}
   (( segid " 1SG" and resid 36   and name HB2 ))
   (( segid " 1SG" and resid 36   and name HD2 ))
      2.300     2.300     3.700 peak   342 spectrum    1 weight  0.10000E+01 volume  0.90307E-02 ppm1      1.641 ppm2      3.510 CV     1
 ASSI {  349}
   (  segid " 1SG" and resid 82   and name HB% )
   (( segid " 1SG" and resid 82   and name HA  ))
      2.100     0.600     0.600 peak   349 spectrum    1 weight  0.10000E+01 volume  0.10921E-01 ppm1      1.321 ppm2      4.210 CV     1
 ASSI {  352}
   (( segid " 1SG" and resid 35   and name HG2 ))
   (( segid " 1SG" and resid 35   and name HD2 ))
      2.000     0.500     0.500 peak   352 spectrum    1 weight  0.10000E+01 volume  0.10861E-01 ppm1      1.368 ppm2      1.640 CV     1
 OR {  352}
   (( segid " 1SG" and resid 35   and name HG1 ))
   (( segid " 1SG" and resid 35   and name HD1 ))
 OR {  352}
   (( segid " 1SG" and resid 35   and name HG1 ))
   (( segid " 1SG" and resid 35   and name HD2 ))
 OR {  352}
   (( segid " 1SG" and resid 35   and name HG2 ))
   (( segid " 1SG" and resid 35   and name HD1 ))
 ASSI {  353}
   (  segid " 1SG" and resid 16   and name HG1%)
   (  segid " 1SG" and resid 16   and name HG2%)
      2.100     0.600     0.600 peak   353 spectrum    1 weight  0.10000E+01 volume  0.10847E-01 ppm1      0.980 ppm2      0.628 CV     1
 ASSI {  354}
   (( segid " 1SG" and resid 21   and name HB2 ))
   (( segid " 1SG" and resid 23   and name HB  ))
      2.100     2.100     3.900 peak   354 spectrum    1 weight  0.10000E+01 volume  0.10787E-01 ppm1      3.720 ppm2      3.604 CV     1
 ASSI {  356}
   (( segid " 1SG" and resid 104  and name HG  ))
   (( segid " 1SG" and resid 104  and name HB2 ))
      2.100     0.500     0.500 peak   356 spectrum    1 weight  0.10000E+01 volume  0.90307E-02 ppm1      1.339 ppm2      1.226 CV     1
 ASSI {  357}
   (( segid " 1SG" and resid 104  and name HG  ))
   (  segid " 1SG" and resid 104  and name HD1%)
      2.100     0.500     0.500 peak   357 spectrum    1 weight  0.10000E+01 volume  0.90307E-02 ppm1      1.341 ppm2      0.980 CV     1
 ASSI {  358}
   (( segid " 1SG" and resid 65   and name HD2 ))
   (( segid " 1SG" and resid 65   and name HG2 ))
      2.000     0.500     0.500 peak   358 spectrum    1 weight  0.10000E+01 volume  0.10670E-01 ppm1      3.238 ppm2      1.683 CV     1
 OR {  358}
   (( segid " 1SG" and resid 65   and name HD1 ))
   (( segid " 1SG" and resid 65   and name HG2 ))
 OR {  358}
   (( segid " 1SG" and resid 65   and name HD2 ))
   (( segid " 1SG" and resid 65   and name HG1 ))
 OR {  358}
   (( segid " 1SG" and resid 65   and name HD1 ))
   (( segid " 1SG" and resid 65   and name HG1 ))
 ASSI {  359}
   (( segid " 1SG" and resid 104  and name HG  ))
   (  segid " 1SG" and resid 104  and name HD2%)
      2.100     0.500     0.500 peak   359 spectrum    1 weight  0.10000E+01 volume  0.90307E-02 ppm1      1.342 ppm2      0.832 CV     1
 ASSI {  364}
   (( segid " 1SG" and resid 59   and name HG  ))
   (  segid " 1SG" and resid 59   and name HD2%)
      2.000     0.500     0.500 peak   364 spectrum    1 weight  0.10000E+01 volume  0.90307E-02 ppm1      1.424 ppm2      0.682 CV     1
 ASSI {  367}
   (  segid " 1SG" and resid 28   and name HG1%)
   (  segid " 1SG" and resid 28   and name HG2%)
      2.100     0.600     0.600 peak   367 spectrum    1 weight  0.10000E+01 volume  0.10472E-01 ppm1      0.815 ppm2      0.666 CV     1
 ASSI {  375}
   (( segid " 1SG" and resid 4    and name HG12))
   (  segid " 1SG" and resid 4    and name HD1%)
      2.100     0.500     0.500 peak   375 spectrum    1 weight  0.10000E+01 volume  0.90307E-02 ppm1      1.245 ppm2      0.917 CV     1
 OR {  375}
   (( segid " 1SG" and resid 4    and name HG12))
   (  segid " 1SG" and resid 4    and name HG2%)
 ASSI {  377}
   (  segid " 1SG" and resid 71   and name HD2%)
   (  segid " 1SG" and resid 71   and name HD1%)
      2.100     0.600     0.600 peak   377 spectrum    1 weight  0.10000E+01 volume  0.10218E-01 ppm1      0.746 ppm2      0.857 CV     1
 ASSI {  384}
   (( segid " 1SG" and resid 81   and name HD2 ))
   (  segid " 1SG" and resid 18   and name HG1%)
      2.700     0.900     0.900 peak   384 spectrum    1 weight  0.10000E+01 volume  0.90335E-02 ppm1      3.587 ppm2      0.967 CV     1
 OR {  384}
   (( segid " 1SG" and resid 81   and name HD2 ))
   (  segid " 1SG" and resid 18   and name HG2%)
 ASSI {  385}
   (( segid " 1SG" and resid 71   and name HB2 ))
   (  segid " 1SG" and resid 8    and name HG1%)
      1.900     1.900     4.100 peak   385 spectrum    1 weight  0.10000E+01 volume  0.90335E-02 ppm1      1.327 ppm2      0.929 CV     1
 OR {  385}
   (( segid " 1SG" and resid 71   and name HB2 ))
   (  segid " 1SG" and resid 8    and name HG2%)
 ASSI {  388}
   (( segid " 1SG" and resid 34   and name HG  ))
   (( segid " 1SG" and resid 34   and name HB2 ))
      2.100     0.600     0.600 peak   388 spectrum    1 weight  0.10000E+01 volume  0.99060E-02 ppm1      0.935 ppm2      1.675 CV     1
 OR {  388}
   (( segid " 1SG" and resid 34   and name HG  ))
   (( segid " 1SG" and resid 34   and name HB1 ))
 ASSI {  405}
   (( segid " 1SG" and resid 96   and name HB2 ))
   (  segid " 1SG" and resid 6    and name HD2%)
      2.100     0.600     0.600 peak   405 spectrum    1 weight  0.10000E+01 volume  0.90335E-02 ppm1      1.583 ppm2      0.481 CV     1
 ASSI {  406}
   (( segid " 1SG" and resid 35   and name HB1 ))
   (( segid " 1SG" and resid 35   and name HD1 ))
      2.200     0.600     0.600 peak   406 spectrum    1 weight  0.10000E+01 volume  0.95638E-02 ppm1      1.791 ppm2      1.632 CV     1
 OR {  406}
   (( segid " 1SG" and resid 35   and name HB1 ))
   (( segid " 1SG" and resid 35   and name HD2 ))
 OR {  406}
   (( segid " 1SG" and resid 35   and name HB2 ))
   (( segid " 1SG" and resid 35   and name HD1 ))
 OR {  406}
   (( segid " 1SG" and resid 35   and name HB2 ))
   (( segid " 1SG" and resid 35   and name HD2 ))
 ASSI {  414}
   (( segid " 1SG" and resid 33   and name HB2 ))
   (( segid " 1SG" and resid 33   and name HG  ))
      2.200     0.600     0.600 peak   414 spectrum    1 weight  0.10000E+01 volume  0.90464E-02 ppm1      1.739 ppm2      0.923 CV     1
 ASSI {  415}
   (  segid " 1SG" and resid 31   and name HB% )
   (( segid " 1SG" and resid 31   and name HA  ))
      2.100     0.600     0.600 peak   415 spectrum    1 weight  0.10000E+01 volume  0.94320E-02 ppm1      1.537 ppm2      4.174 CV     1
 ASSI {  420}
   (  segid " 1SG" and resid 105  and name HG2%)
   (( segid " 1SG" and resid 105  and name HB  ))
      2.100     0.600     0.600 peak   420 spectrum    1 weight  0.10000E+01 volume  0.93087E-02 ppm1      0.923 ppm2      3.904 CV     1
 ASSI {  425}
   (  segid " 1SG" and resid 76   and name HD1%)
   (  segid " 1SG" and resid 76   and name HG2%)
      2.000     0.500     0.500 peak   425 spectrum    1 weight  0.10000E+01 volume  0.91675E-02 ppm1      0.678 ppm2      0.829 CV     1
 ASSI {  427}
   (  segid " 1SG" and resid 59   and name HD1%)
   (  segid " 1SG" and resid 59   and name HD2%)
      2.100     0.600     0.600 peak   427 spectrum    1 weight  0.10000E+01 volume  0.90970E-02 ppm1      0.863 ppm2      0.716 CV     1
 ASSI {  435}
   (( segid " 1SG" and resid 94   and name HE1 ))
   (( segid " 1SG" and resid 94   and name HD1 ))
      2.100     0.500     0.500 peak   435 spectrum    1 weight  0.10000E+01 volume  0.89238E-02 ppm1      2.967 ppm2      1.689 CV     1
 OR {  435}
   (( segid " 1SG" and resid 94   and name HE2 ))
   (( segid " 1SG" and resid 94   and name HD1 ))
 OR {  435}
   (( segid " 1SG" and resid 94   and name HE1 ))
   (( segid " 1SG" and resid 94   and name HD2 ))
 OR {  435}
   (( segid " 1SG" and resid 94   and name HE2 ))
   (( segid " 1SG" and resid 94   and name HD2 ))
 ASSI {  438}
   (( segid " 1SG" and resid 108  and name HG1 ))
   (  segid " 1SG" and resid 18   and name HG2%)
      2.200     0.600     0.600 peak   438 spectrum    1 weight  0.10000E+01 volume  0.90606E-02 ppm1      2.209 ppm2      0.961 CV     1
 OR {  438}
   (( segid " 1SG" and resid 108  and name HG2 ))
   (  segid " 1SG" and resid 18   and name HG2%)
 OR {  438}
   (( segid " 1SG" and resid 108  and name HG1 ))
   (  segid " 1SG" and resid 18   and name HG1%)
 ASSI {  443}
   (  segid " 1SG" and resid 106  and name HG2%)
   (  segid " 1SG" and resid 106  and name HG1%)
      2.100     0.600     0.600 peak   443 spectrum    1 weight  0.10000E+01 volume  0.86914E-02 ppm1      0.390 ppm2      0.692 CV     1
 ASSI {  449}
   (  segid " 1SG" and resid 71   and name HD1%)
   (( segid " 1SG" and resid 71   and name HB2 ))
      2.100     0.600     0.600 peak   449 spectrum    1 weight  0.10000E+01 volume  0.90606E-02 ppm1      0.863 ppm2      1.307 CV     1
 ASSI {  456}
   (( segid " 1SG" and resid 69   and name HB  ))
   (  segid " 1SG" and resid 69   and name HG1%)
      2.100     0.600     0.600 peak   456 spectrum    1 weight  0.10000E+01 volume  0.84512E-02 ppm1      1.767 ppm2      0.861 CV     1
 OR {  456}
   (( segid " 1SG" and resid 69   and name HB  ))
   (  segid " 1SG" and resid 69   and name HG2%)
 ASSI {  458}
   (  segid " 1SG" and resid 23   and name HG2%)
   (( segid " 1SG" and resid 23   and name HB  ))
      2.200     0.600     0.600 peak   458 spectrum    1 weight  0.10000E+01 volume  0.84213E-02 ppm1      0.783 ppm2      3.578 CV     1
 ASSI {  463}
   (( segid " 1SG" and resid 35   and name HE1 ))
   (( segid " 1SG" and resid 35   and name HD2 ))
      2.100     0.600     0.600 peak   463 spectrum    1 weight  0.10000E+01 volume  0.82224E-02 ppm1      2.950 ppm2      1.649 CV     1
 OR {  463}
   (( segid " 1SG" and resid 35   and name HE2 ))
   (( segid " 1SG" and resid 35   and name HD1 ))
 OR {  463}
   (( segid " 1SG" and resid 35   and name HE1 ))
   (( segid " 1SG" and resid 35   and name HD1 ))
 OR {  463}
   (( segid " 1SG" and resid 35   and name HE2 ))
   (( segid " 1SG" and resid 35   and name HD2 ))
 ASSI {  464}
   (( segid " 1SG" and resid 4    and name HA  ))
   (  segid " 1SG" and resid 4    and name HG2%)
      2.200     0.600     0.600 peak   464 spectrum    1 weight  0.10000E+01 volume  0.90606E-02 ppm1      4.027 ppm2      0.915 CV     1
 ASSI {  478}
   (  segid " 1SG" and resid 84   and name HG2%)
   (( segid " 1SG" and resid 105  and name HA  ))
      2.200     0.600     0.600 peak   478 spectrum    1 weight  0.10000E+01 volume  0.79195E-02 ppm1      1.498 ppm2      4.518 CV     1
 ASSI {  480}
   (( segid " 1SG" and resid 17   and name HB  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      2.200     0.600     0.600 peak   480 spectrum    1 weight  0.10000E+01 volume  0.78910E-02 ppm1      4.089 ppm2      1.298 CV     1
 ASSI {  485}
   (  segid " 1SG" and resid 6    and name HD1%)
   (  segid " 1SG" and resid 6    and name HD2%)
      2.200     0.600     0.600 peak   485 spectrum    1 weight  0.10000E+01 volume  0.77670E-02 ppm1      0.674 ppm2      0.488 CV     1
 ASSI {  492}
   (  segid " 1SG" and resid 18   and name HG2%)
   (  segid " 1SG" and resid 106  and name HG2%)
      2.200     0.600     0.600 peak   492 spectrum    1 weight  0.10000E+01 volume  0.76800E-02 ppm1      0.966 ppm2      0.388 CV     1
 ASSI {  500}
   (( segid " 1SG" and resid 49   and name HG  ))
   (  segid " 1SG" and resid 49   and name HD1%)
      2.000     0.500     0.500 peak   500 spectrum    1 weight  0.10000E+01 volume  0.91055E-02 ppm1      0.799 ppm2      1.765 CV     1
 ASSI {  501}
   (  segid " 1SG" and resid 91   and name HG1%)
   (( segid " 1SG" and resid 37   and name HB2 ))
      2.100     0.600     0.600 peak   501 spectrum    1 weight  0.10000E+01 volume  0.90642E-02 ppm1      0.184 ppm2      1.380 CV     1
 OR {  501}
   (  segid " 1SG" and resid 91   and name HG2%)
   (( segid " 1SG" and resid 37   and name HB2 ))
 ASSI {  504}
   (  segid " 1SG" and resid 69   and name HG1%)
   (( segid " 1SG" and resid 69   and name HA  ))
      2.100     0.600     0.600 peak   504 spectrum    1 weight  0.10000E+01 volume  0.75175E-02 ppm1      0.862 ppm2      4.593 CV     1
 OR {  504}
   (  segid " 1SG" and resid 69   and name HG2%)
   (( segid " 1SG" and resid 69   and name HA  ))
 ASSI {  507}
   (  segid " 1SG" and resid 38   and name HG1%)
   (( segid " 1SG" and resid 38   and name HB  ))
      2.200     0.600     0.600 peak   507 spectrum    1 weight  0.10000E+01 volume  0.74811E-02 ppm1      0.828 ppm2      1.896 CV     1
 OR {  507}
   (  segid " 1SG" and resid 38   and name HG2%)
   (( segid " 1SG" and resid 38   and name HB  ))
 ASSI {  511}
   (( segid " 1SG" and resid 77   and name HB  ))
   (  segid " 1SG" and resid 77   and name HG2%)
      2.200     0.600     0.600 peak   511 spectrum    1 weight  0.10000E+01 volume  0.74569E-02 ppm1      4.025 ppm2      1.045 CV     1
 ASSI {  515}
   (  segid " 1SG" and resid 47   and name HG2%)
   (  segid " 1SG" and resid 47   and name HG1%)
      2.300     0.600     0.600 peak   515 spectrum    1 weight  0.10000E+01 volume  0.74248E-02 ppm1      0.794 ppm2      0.992 CV     1
 ASSI {  520}
   (  segid " 1SG" and resid 23   and name HG2%)
   (( segid " 1SG" and resid 75   and name HB1 ))
      2.500     2.500     3.500 peak   520 spectrum    1 weight  0.10000E+01 volume  0.90670E-02 ppm1      0.799 ppm2      2.893 CV     1
 OR {  520}
   (  segid " 1SG" and resid 23   and name HG2%)
   (( segid " 1SG" and resid 75   and name HB2 ))
 ASSI {  522}
   (  segid " 1SG" and resid 39   and name HG1%)
   (  segid " 1SG" and resid 39   and name HG2%)
      2.300     0.600     0.600 peak   522 spectrum    1 weight  0.10000E+01 volume  0.73236E-02 ppm1     -0.062 ppm2     -0.447 CV     1
 ASSI {  524}
   (( segid " 1SG" and resid 52   and name HD1 ))
   (( segid " 1SG" and resid 52   and name HG1 ))
      2.200     0.600     0.600 peak   524 spectrum    1 weight  0.10000E+01 volume  0.72973E-02 ppm1      1.579 ppm2      1.341 CV     1
 OR {  524}
   (( segid " 1SG" and resid 52   and name HD2 ))
   (( segid " 1SG" and resid 52   and name HG2 ))
 OR {  524}
   (( segid " 1SG" and resid 52   and name HD1 ))
   (( segid " 1SG" and resid 52   and name HG2 ))
 OR {  524}
   (( segid " 1SG" and resid 52   and name HD2 ))
   (( segid " 1SG" and resid 52   and name HG1 ))
 ASSI {  527}
   (( segid " 1SG" and resid 49   and name HG  ))
   (  segid " 1SG" and resid 59   and name HD1%)
      2.600     2.600     3.400 peak   527 spectrum    1 weight  0.10000E+01 volume  0.90670E-02 ppm1      0.848 ppm2      0.850 CV     1
 ASSI {  541}
   (  segid " 1SG" and resid 59   and name HD2%)
   (  segid " 1SG" and resid 74   and name HD2%)
      2.300     0.700     0.700 peak   541 spectrum    1 weight  0.10000E+01 volume  0.71889E-02 ppm1      0.714 ppm2      0.412 CV     1
 OR {  541}
   (  segid " 1SG" and resid 59   and name HD2%)
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI {  544}
   (( segid " 1SG" and resid 54   and name HA1 ))
   (( segid " 1SG" and resid 54   and name HA2 ))
      2.000     0.500     0.500 peak   544 spectrum    1 weight  0.10000E+01 volume  0.71761E-02 ppm1      3.915 ppm2      4.302 CV     1
 ASSI {  551}
   (  segid " 1SG" and resid 38   and name HG1%)
   (( segid " 1SG" and resid 38   and name HA  ))
      2.200     0.600     0.600 peak   551 spectrum    1 weight  0.10000E+01 volume  0.90670E-02 ppm1      0.793 ppm2      3.901 CV     1
 OR {  551}
   (  segid " 1SG" and resid 38   and name HG2%)
   (( segid " 1SG" and resid 38   and name HA  ))
 ASSI {  558}
   (  segid " 1SG" and resid 29   and name HB% )
   (( segid " 1SG" and resid 29   and name HA  ))
      2.200     0.600     0.600 peak   558 spectrum    1 weight  0.10000E+01 volume  0.69737E-02 ppm1      1.520 ppm2      4.393 CV     1
 ASSI {  559}
   (( segid " 1SG" and resid 93   and name HA  ))
   (( segid " 1SG" and resid 93   and name HB  ))
      2.200     0.600     0.600 peak   559 spectrum    1 weight  0.10000E+01 volume  0.69585E-02 ppm1      4.796 ppm2      4.558 CV     1
 ASSI {  561}
   (( segid " 1SG" and resid 52   and name HD1 ))
   (( segid " 1SG" and resid 43   and name HB2 ))
      2.300     2.300     3.700 peak   561 spectrum    1 weight  0.10000E+01 volume  0.68707E-02 ppm1      1.588 ppm2      1.244 CV     1
 OR {  561}
   (( segid " 1SG" and resid 52   and name HD2 ))
   (( segid " 1SG" and resid 43   and name HB2 ))
 ASSI {  563}
   (  segid " 1SG" and resid 104  and name HD2%)
   (  segid " 1SG" and resid 106  and name HG1%)
      2.300     0.700     0.700 peak   563 spectrum    1 weight  0.10000E+01 volume  0.68608E-02 ppm1      0.837 ppm2      0.684 CV     1
 ASSI {  571}
   (  segid " 1SG" and resid 93   and name HG2%)
   (( segid " 1SG" and resid 93   and name HB  ))
      2.200     0.600     0.600 peak   571 spectrum    1 weight  0.10000E+01 volume  0.67912E-02 ppm1      1.040 ppm2      4.557 CV     1
 ASSI {  572}
   (  segid " 1SG" and resid 104  and name HD2%)
   (  segid " 1SG" and resid 104  and name HD1%)
      2.300     0.600     0.600 peak   572 spectrum    1 weight  0.10000E+01 volume  0.67649E-02 ppm1      0.836 ppm2      0.981 CV     1
 ASSI {  574}
   (  segid " 1SG" and resid 53   and name HG2%)
   (( segid " 1SG" and resid 53   and name HB  ))
      2.200     0.600     0.600 peak   574 spectrum    1 weight  0.10000E+01 volume  0.67315E-02 ppm1      1.080 ppm2      2.129 CV     1
 OR {  574}
   (  segid " 1SG" and resid 53   and name HG1%)
   (( segid " 1SG" and resid 53   and name HB  ))
 ASSI {  580}
   (  segid " 1SG" and resid 79   and name HB% )
   (  segid " 1SG" and resid 16   and name HG2%)
      2.100     0.600     0.600 peak   580 spectrum    1 weight  0.10000E+01 volume  0.90670E-02 ppm1      1.195 ppm2      0.629 CV     1
 ASSI {  581}
   (( segid " 1SG" and resid 67   and name HB1 ))
   (( segid " 1SG" and resid 67   and name HA  ))
      2.300     0.700     0.700 peak   581 spectrum    1 weight  0.10000E+01 volume  0.66457E-02 ppm1      3.729 ppm2      4.301 CV     1
 OR {  581}
   (( segid " 1SG" and resid 67   and name HB2 ))
   (( segid " 1SG" and resid 67   and name HA  ))
 ASSI {  582}
   (( segid " 1SG" and resid 53   and name HB  ))
   (  segid " 1SG" and resid 53   and name HG1%)
      2.200     0.600     0.600 peak   582 spectrum    1 weight  0.10000E+01 volume  0.66405E-02 ppm1      2.134 ppm2      1.116 CV     1
 ASSI {  590}
   (( segid " 1SG" and resid 55   and name HA  ))
   (( segid " 1SG" and resid 55   and name HG2 ))
      2.300     0.700     0.700 peak   590 spectrum    1 weight  0.10000E+01 volume  0.65429E-02 ppm1      4.000 ppm2      1.983 CV     1
 OR {  590}
   (( segid " 1SG" and resid 55   and name HA  ))
   (( segid " 1SG" and resid 55   and name HG1 ))
 ASSI {  594}
   (  segid " 1SG" and resid 76   and name HD1%)
   (  segid " 1SG" and resid 74   and name HD1%)
      2.000     0.500     0.500 peak   594 spectrum    1 weight  0.10000E+01 volume  0.90735E-02 ppm1      0.676 ppm2      0.417 CV     1
 ASSI {  604}
   (( segid " 1SG" and resid 85   and name HA1 ))
   (( segid " 1SG" and resid 85   and name HA2 ))
      2.000     0.500     0.500 peak   604 spectrum    1 weight  0.10000E+01 volume  0.64451E-02 ppm1      3.939 ppm2      4.518 CV     1
 ASSI {  606}
   (( segid " 1SG" and resid 102  and name HA  ))
   (( segid " 1SG" and resid 102  and name HB2 ))
      2.200     0.600     0.600 peak   606 spectrum    1 weight  0.10000E+01 volume  0.90735E-02 ppm1      4.981 ppm2      2.748 CV     1
 ASSI {  611}
   (( segid " 1SG" and resid 20   and name HA2 ))
   (( segid " 1SG" and resid 20   and name HA1 ))
      2.000     0.500     0.500 peak   611 spectrum    1 weight  0.10000E+01 volume  0.63499E-02 ppm1      4.387 ppm2      3.737 CV     1
 ASSI {  613}
   (( segid " 1SG" and resid 3    and name HD1 ))
   (( segid " 1SG" and resid 2    and name HA  ))
      2.200     0.600     0.600 peak   613 spectrum    1 weight  0.10000E+01 volume  0.63237E-02 ppm1      3.854 ppm2      4.913 CV     1
 OR {  613}
   (( segid " 1SG" and resid 3    and name HD2 ))
   (( segid " 1SG" and resid 2    and name HA  ))
 ASSI {  617}
   (( segid " 1SG" and resid 84   and name HB  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      2.300     0.700     0.700 peak   617 spectrum    1 weight  0.10000E+01 volume  0.62686E-02 ppm1      4.220 ppm2      1.497 CV     1
 ASSI {  623}
   (( segid " 1SG" and resid 38   and name HB  ))
   (  segid " 1SG" and resid 38   and name HG2%)
      2.300     0.600     0.600 peak   623 spectrum    1 weight  0.10000E+01 volume  0.62111E-02 ppm1      1.893 ppm2      0.790 CV     1
 ASSI {  628}
   (  segid " 1SG" and resid 91   and name HG1%)
   (  segid " 1SG" and resid 39   and name HG2%)
      2.300     0.700     0.700 peak   628 spectrum    1 weight  0.10000E+01 volume  0.61068E-02 ppm1      0.172 ppm2     -0.446 CV     1
 OR {  628}
   (  segid " 1SG" and resid 91   and name HG2%)
   (  segid " 1SG" and resid 39   and name HG2%)
 ASSI {  629}
   (  segid " 1SG" and resid 106  and name HG2%)
   (  segid " 1SG" and resid 18   and name HG2%)
      2.300     0.700     0.700 peak   629 spectrum    1 weight  0.10000E+01 volume  0.60132E-02 ppm1      0.390 ppm2      0.968 CV     1
 OR {  629}
   (  segid " 1SG" and resid 106  and name HG2%)
   (  segid " 1SG" and resid 18   and name HG1%)
 ASSI {  630}
   (  segid " 1SG" and resid 79   and name HB% )
   (( segid " 1SG" and resid 79   and name HA  ))
      2.200     0.600     0.600 peak   630 spectrum    1 weight  0.10000E+01 volume  0.60117E-02 ppm1      1.196 ppm2      3.690 CV     1
 ASSI {  645}
   (( segid " 1SG" and resid 8    and name HB  ))
   (  segid " 1SG" and resid 8    and name HG2%)
      2.200     0.600     0.600 peak   645 spectrum    1 weight  0.10000E+01 volume  0.58345E-02 ppm1      1.825 ppm2      0.967 CV     1
 OR {  645}
   (( segid " 1SG" and resid 8    and name HB  ))
   (  segid " 1SG" and resid 8    and name HG1%)
 ASSI {  647}
   (( segid " 1SG" and resid 15   and name HB1 ))
   (( segid " 1SG" and resid 15   and name HG2 ))
      2.300     0.700     0.700 peak   647 spectrum    1 weight  0.10000E+01 volume  0.58211E-02 ppm1      2.041 ppm2      2.277 CV     1
 OR {  647}
   (( segid " 1SG" and resid 15   and name HB2 ))
   (( segid " 1SG" and resid 15   and name HG1 ))
 OR {  647}
   (( segid " 1SG" and resid 15   and name HB2 ))
   (( segid " 1SG" and resid 15   and name HG2 ))
 OR {  647}
   (( segid " 1SG" and resid 15   and name HB1 ))
   (( segid " 1SG" and resid 15   and name HG1 ))
 ASSI {  649}
   (  segid " 1SG" and resid 105  and name HG2%)
   (( segid " 1SG" and resid 105  and name HA  ))
      2.300     0.700     0.700 peak   649 spectrum    1 weight  0.10000E+01 volume  0.58012E-02 ppm1      0.923 ppm2      4.518 CV     1
 ASSI {  650}
   (( segid " 1SG" and resid 4    and name HG12))
   (( segid " 1SG" and resid 96   and name HB2 ))
      2.600     2.600     3.400 peak   650 spectrum    1 weight  0.10000E+01 volume  0.58010E-02 ppm1      1.248 ppm2      1.588 CV     1
 ASSI {  651}
   (  segid " 1SG" and resid 8    and name HG1%)
   (( segid " 1SG" and resid 8    and name HA  ))
      2.400     0.700     0.700 peak   651 spectrum    1 weight  0.10000E+01 volume  0.57772E-02 ppm1      0.964 ppm2      4.174 CV     1
 OR {  651}
   (  segid " 1SG" and resid 8    and name HG2%)
   (( segid " 1SG" and resid 8    and name HA  ))
 ASSI {  653}
   (  segid " 1SG" and resid 57   and name HD2%)
   (  segid " 1SG" and resid 74   and name HD1%)
      2.300     0.700     0.700 peak   653 spectrum    1 weight  0.10000E+01 volume  0.57607E-02 ppm1      0.612 ppm2      0.416 CV     1
 OR {  653}
   (  segid " 1SG" and resid 57   and name HD1%)
   (  segid " 1SG" and resid 74   and name HD1%)
 OR {  653}
   (  segid " 1SG" and resid 57   and name HD2%)
   (  segid " 1SG" and resid 74   and name HD2%)
 OR {  653}
   (  segid " 1SG" and resid 57   and name HD1%)
   (  segid " 1SG" and resid 74   and name HD2%)
 ASSI {  655}
   (( segid " 1SG" and resid 92   and name HB2 ))
   (( segid " 1SG" and resid 92   and name HA  ))
      2.300     0.700     0.700 peak   655 spectrum    1 weight  0.10000E+01 volume  0.57461E-02 ppm1      3.943 ppm2      5.264 CV     1
 OR {  655}
   (( segid " 1SG" and resid 92   and name HB1 ))
   (( segid " 1SG" and resid 92   and name HA  ))
 ASSI {  656}
   (( segid " 1SG" and resid 38   and name HB  ))
   (  segid " 1SG" and resid 38   and name HG1%)
      2.300     0.700     0.700 peak   656 spectrum    1 weight  0.10000E+01 volume  0.57350E-02 ppm1      1.893 ppm2      0.842 CV     1
 ASSI {  660}
   (( segid " 1SG" and resid 18   and name HB  ))
   (  segid " 1SG" and resid 18   and name HG1%)
      2.300     0.700     0.700 peak   660 spectrum    1 weight  0.10000E+01 volume  0.56545E-02 ppm1      1.940 ppm2      1.009 CV     1
 ASSI {  662}
   (  segid " 1SG" and resid 6    and name HD1%)
   (( segid " 1SG" and resid 6    and name HG  ))
      2.300     0.600     0.600 peak   662 spectrum    1 weight  0.10000E+01 volume  0.56139E-02 ppm1      0.671 ppm2      1.331 CV     1
 ASSI {  667}
   (( segid " 1SG" and resid 94   and name HE2 ))
   (( segid " 1SG" and resid 94   and name HG2 ))
      2.300     0.700     0.700 peak   667 spectrum    1 weight  0.10000E+01 volume  0.55578E-02 ppm1      2.982 ppm2      1.410 CV     1
 OR {  667}
   (( segid " 1SG" and resid 94   and name HE2 ))
   (( segid " 1SG" and resid 94   and name HG1 ))
 OR {  667}
   (( segid " 1SG" and resid 94   and name HE1 ))
   (( segid " 1SG" and resid 94   and name HG2 ))
 OR {  667}
   (( segid " 1SG" and resid 94   and name HE1 ))
   (( segid " 1SG" and resid 94   and name HG1 ))
 ASSI {  669}
   (( segid " 1SG" and resid 18   and name HB  ))
   (  segid " 1SG" and resid 18   and name HG1%)
      2.300     0.700     0.700 peak   669 spectrum    1 weight  0.10000E+01 volume  0.55430E-02 ppm1      1.940 ppm2      0.968 CV     1
 OR {  669}
   (( segid " 1SG" and resid 18   and name HB  ))
   (  segid " 1SG" and resid 18   and name HG2%)
 ASSI {  676}
   (( segid " 1SG" and resid 32   and name HB2 ))
   (( segid " 1SG" and resid 33   and name HA  ))
      2.500     2.500     3.500 peak   676 spectrum    1 weight  0.10000E+01 volume  0.54836E-02 ppm1      3.910 ppm2      4.466 CV     1
 OR {  676}
   (( segid " 1SG" and resid 32   and name HB1 ))
   (( segid " 1SG" and resid 33   and name HA  ))
 ASSI {  677}
   (  segid " 1SG" and resid 104  and name HD1%)
   (  segid " 1SG" and resid 22   and name HG2%)
      2.300     0.700     0.700 peak   677 spectrum    1 weight  0.10000E+01 volume  0.54835E-02 ppm1      0.982 ppm2      0.547 CV     1
 OR {  677}
   (  segid " 1SG" and resid 104  and name HD1%)
   (  segid " 1SG" and resid 22   and name HD1%)
 ASSI {  679}
   (  segid " 1SG" and resid 47   and name HG1%)
   (( segid " 1SG" and resid 47   and name HA  ))
      2.400     0.700     0.700 peak   679 spectrum    1 weight  0.10000E+01 volume  0.54735E-02 ppm1      0.996 ppm2      4.076 CV     1
 ASSI {  680}
   (( segid " 1SG" and resid 33   and name HA  ))
   (  segid " 1SG" and resid 33   and name HD2%)
      2.600     0.800     0.800 peak   680 spectrum    1 weight  0.10000E+01 volume  0.54732E-02 ppm1      4.455 ppm2      0.875 CV     1
 OR {  680}
   (( segid " 1SG" and resid 33   and name HA  ))
   (( segid " 1SG" and resid 33   and name HG  ))
 OR {  680}
   (( segid " 1SG" and resid 33   and name HA  ))
   (  segid " 1SG" and resid 33   and name HD1%)
 ASSI {  681}
   (( segid " 1SG" and resid 68   and name HG1 ))
   (( segid " 1SG" and resid 68   and name HD1 ))
      2.300     0.600     0.600 peak   681 spectrum    1 weight  0.10000E+01 volume  0.54725E-02 ppm1      1.326 ppm2      1.682 CV     1
 OR {  681}
   (( segid " 1SG" and resid 68   and name HG2 ))
   (( segid " 1SG" and resid 68   and name HD2 ))
 OR {  681}
   (( segid " 1SG" and resid 68   and name HG2 ))
   (( segid " 1SG" and resid 68   and name HD1 ))
 OR {  681}
   (( segid " 1SG" and resid 68   and name HG1 ))
   (( segid " 1SG" and resid 68   and name HD2 ))
 ASSI {  684}
   (  segid " 1SG" and resid 53   and name HG2%)
   (( segid " 1SG" and resid 53   and name HA  ))
      2.100     0.500     0.500 peak   684 spectrum    1 weight  0.10000E+01 volume  0.90735E-02 ppm1      1.079 ppm2      4.054 CV     1
 OR {  684}
   (  segid " 1SG" and resid 53   and name HG1%)
   (( segid " 1SG" and resid 53   and name HA  ))
 ASSI {  685}
   (( segid " 1SG" and resid 44   and name HA1 ))
   (( segid " 1SG" and resid 44   and name HA2 ))
      2.000     0.500     0.500 peak   685 spectrum    1 weight  0.10000E+01 volume  0.54523E-02 ppm1      3.476 ppm2      3.825 CV     1
 ASSI {  689}
   (  segid " 1SG" and resid 57   and name HD1%)
   (( segid " 1SG" and resid 57   and name HG  ))
      2.200     0.600     0.600 peak   689 spectrum    1 weight  0.10000E+01 volume  0.54230E-02 ppm1      0.618 ppm2      0.749 CV     1
 OR {  689}
   (  segid " 1SG" and resid 57   and name HD2%)
   (( segid " 1SG" and resid 57   and name HG  ))
 ASSI {  690}
   (  segid " 1SG" and resid 53   and name HG1%)
   (  segid " 1SG" and resid 59   and name HD1%)
      2.400     2.400     3.600 peak   690 spectrum    1 weight  0.10000E+01 volume  0.90735E-02 ppm1      1.118 ppm2      0.869 CV     1
 ASSI {  691}
   (  segid " 1SG" and resid 53   and name HG1%)
   (  segid " 1SG" and resid 57   and name HD1%)
      2.400     0.700     0.700 peak   691 spectrum    1 weight  0.10000E+01 volume  0.90735E-02 ppm1      1.118 ppm2      0.614 CV     1
 OR {  691}
   (  segid " 1SG" and resid 53   and name HG1%)
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI {  692}
   (  segid " 1SG" and resid 53   and name HG1%)
   (  segid " 1SG" and resid 53   and name HG2%)
      2.100     0.600     0.600 peak   692 spectrum    1 weight  0.10000E+01 volume  0.90735E-02 ppm1      1.122 ppm2      1.070 CV     1
 ASSI {  695}
   (  segid " 1SG" and resid 53   and name HG2%)
   (  segid " 1SG" and resid 57   and name HD1%)
      2.300     0.700     0.700 peak   695 spectrum    1 weight  0.10000E+01 volume  0.53575E-02 ppm1      1.077 ppm2      0.618 CV     1
 OR {  695}
   (  segid " 1SG" and resid 53   and name HG2%)
   (  segid " 1SG" and resid 57   and name HD2%)
 OR {  695}
   (  segid " 1SG" and resid 53   and name HG1%)
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI {  699}
   (  segid " 1SG" and resid 53   and name HG1%)
   (( segid " 1SG" and resid 53   and name HA  ))
      2.100     0.600     0.600 peak   699 spectrum    1 weight  0.10000E+01 volume  0.90735E-02 ppm1      1.119 ppm2      4.050 CV     1
 ASSI {  712}
   (( segid " 1SG" and resid 27   and name HD1 ))
   (( segid " 1SG" and resid 27   and name HB2 ))
      2.300     0.700     0.700 peak   712 spectrum    1 weight  0.10000E+01 volume  0.52079E-02 ppm1      3.128 ppm2      1.583 CV     1
 OR {  712}
   (( segid " 1SG" and resid 27   and name HD2 ))
   (( segid " 1SG" and resid 27   and name HB1 ))
 OR {  712}
   (( segid " 1SG" and resid 27   and name HD1 ))
   (( segid " 1SG" and resid 27   and name HB1 ))
 OR {  712}
   (( segid " 1SG" and resid 27   and name HD2 ))
   (( segid " 1SG" and resid 27   and name HB2 ))
 ASSI {  731}
   (  segid " 1SG" and resid 91   and name HG2%)
   (( segid " 1SG" and resid 91   and name HB  ))
      2.300     0.700     0.700 peak   731 spectrum    1 weight  0.10000E+01 volume  0.51037E-02 ppm1      0.175 ppm2      1.130 CV     1
 OR {  731}
   (  segid " 1SG" and resid 91   and name HG1%)
   (( segid " 1SG" and resid 91   and name HB  ))
 ASSI {  735}
   (  segid " 1SG" and resid 91   and name HG1%)
   (  segid " 1SG" and resid 6    and name HD1%)
      2.400     0.700     0.700 peak   735 spectrum    1 weight  0.10000E+01 volume  0.50782E-02 ppm1      0.176 ppm2      0.658 CV     1
 OR {  735}
   (  segid " 1SG" and resid 91   and name HG2%)
   (  segid " 1SG" and resid 6    and name HD1%)
 ASSI {  736}
   (  segid " 1SG" and resid 71   and name HD1%)
   (( segid " 1SG" and resid 8    and name HB  ))
      1.900     1.900     4.100 peak   736 spectrum    1 weight  0.10000E+01 volume  0.90906E-02 ppm1      0.874 ppm2      1.822 CV     1
 ASSI {  739}
   (( segid " 1SG" and resid 14   and name HA2 ))
   (( segid " 1SG" and resid 14   and name HA1 ))
      2.000     0.500     0.500 peak   739 spectrum    1 weight  0.10000E+01 volume  0.50617E-02 ppm1      4.937 ppm2      3.749 CV     1
 ASSI {  742}
   (( segid " 1SG" and resid 4    and name HG12))
   (  segid " 1SG" and resid 4    and name HD1%)
      2.300     0.700     0.700 peak   742 spectrum    1 weight  0.10000E+01 volume  0.50460E-02 ppm1      1.241 ppm2      0.966 CV     1
 ASSI {  743}
   (  segid " 1SG" and resid 16   and name HG1%)
   (  segid " 1SG" and resid 22   and name HG2%)
      2.600     0.800     0.800 peak   743 spectrum    1 weight  0.10000E+01 volume  0.50406E-02 ppm1      0.989 ppm2      0.551 CV     1
 OR {  743}
   (  segid " 1SG" and resid 16   and name HG1%)
   (  segid " 1SG" and resid 22   and name HD1%)
 ASSI {  745}
   (( segid " 1SG" and resid 43   and name HE2 ))
   (( segid " 1SG" and resid 43   and name HG2 ))
      2.200     0.600     0.600 peak   745 spectrum    1 weight  0.10000E+01 volume  0.91027E-02 ppm1      2.518 ppm2      0.081 CV     1
 ASSI {  751}
   (  segid " 1SG" and resid 93   and name HG2%)
   (  segid " 1SG" and resid 6    and name HD1%)
      2.300     0.700     0.700 peak   751 spectrum    1 weight  0.10000E+01 volume  0.49921E-02 ppm1      1.039 ppm2      0.675 CV     1
 ASSI {  760}
   (( segid " 1SG" and resid 68   and name HD2 ))
   (( segid " 1SG" and resid 68   and name HE1 ))
      2.300     0.700     0.700 peak   760 spectrum    1 weight  0.10000E+01 volume  0.49205E-02 ppm1      1.678 ppm2      3.029 CV     1
 OR {  760}
   (( segid " 1SG" and resid 68   and name HD1 ))
   (( segid " 1SG" and resid 68   and name HE2 ))
 OR {  760}
   (( segid " 1SG" and resid 68   and name HD2 ))
   (( segid " 1SG" and resid 68   and name HE2 ))
 OR {  760}
   (( segid " 1SG" and resid 68   and name HD1 ))
   (( segid " 1SG" and resid 68   and name HE1 ))
 ASSI {  761}
   (  segid " 1SG" and resid 6    and name HD1%)
   (( segid " 1SG" and resid 6    and name HA  ))
      2.400     0.700     0.700 peak   761 spectrum    1 weight  0.10000E+01 volume  0.49020E-02 ppm1      0.673 ppm2      4.461 CV     1
 ASSI {  765}
   (  segid " 1SG" and resid 79   and name HB% )
   (  segid " 1SG" and resid 106  and name HG1%)
      2.700     0.900     0.900 peak   765 spectrum    1 weight  0.10000E+01 volume  0.48773E-02 ppm1      1.194 ppm2      0.689 CV     1
 ASSI {  776}
   (( segid " 1SG" and resid 108  and name HG1 ))
   (( segid " 1SG" and resid 108  and name HB2 ))
      2.400     0.700     0.700 peak   776 spectrum    1 weight  0.10000E+01 volume  0.48061E-02 ppm1      2.213 ppm2      1.913 CV     1
 OR {  776}
   (( segid " 1SG" and resid 108  and name HG2 ))
   (( segid " 1SG" and resid 108  and name HB2 ))
 ASSI {  777}
   (( segid " 1SG" and resid 65   and name HD1 ))
   (( segid " 1SG" and resid 65   and name HB1 ))
      2.600     0.800     0.800 peak   777 spectrum    1 weight  0.10000E+01 volume  0.48040E-02 ppm1      3.235 ppm2      1.762 CV     1
 OR {  777}
   (( segid " 1SG" and resid 65   and name HD2 ))
   (( segid " 1SG" and resid 65   and name HB1 ))
 OR {  777}
   (( segid " 1SG" and resid 65   and name HD1 ))
   (( segid " 1SG" and resid 65   and name HB2 ))
 OR {  777}
   (( segid " 1SG" and resid 65   and name HD2 ))
   (( segid " 1SG" and resid 65   and name HB2 ))
 ASSI {  781}
   (  segid " 1SG" and resid 18   and name HG2%)
   (( segid " 1SG" and resid 18   and name HA  ))
      2.400     0.700     0.700 peak   781 spectrum    1 weight  0.10000E+01 volume  0.47910E-02 ppm1      0.966 ppm2      3.511 CV     1
 ASSI {  785}
   (( segid " 1SG" and resid 16   and name HA  ))
   (  segid " 1SG" and resid 16   and name HG1%)
      2.500     0.800     0.800 peak   785 spectrum    1 weight  0.10000E+01 volume  0.47765E-02 ppm1      4.604 ppm2      0.981 CV     1
 ASSI {  787}
   (( segid " 1SG" and resid 61   and name HB2 ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      2.800     2.800     3.200 peak   787 spectrum    1 weight  0.10000E+01 volume  0.47630E-02 ppm1      2.304 ppm2      2.785 CV     1
 ASSI {  795}
   (( segid " 1SG" and resid 30   and name HA1 ))
   (( segid " 1SG" and resid 30   and name HA2 ))
      2.100     0.500     0.500 peak   795 spectrum    1 weight  0.10000E+01 volume  0.47163E-02 ppm1      3.952 ppm2      4.673 CV     1
 ASSI {  798}
   (( segid " 1SG" and resid 35   and name HE1 ))
   (  segid " 1SG" and resid 38   and name HG2%)
      2.400     0.700     0.700 peak   798 spectrum    1 weight  0.10000E+01 volume  0.47103E-02 ppm1      2.906 ppm2      0.791 CV     1
 OR {  798}
   (( segid " 1SG" and resid 35   and name HE2 ))
   (  segid " 1SG" and resid 38   and name HG2%)
 ASSI {  801}
   (  segid " 1SG" and resid 28   and name HG2%)
   (  segid " 1SG" and resid 91   and name HG1%)
      2.500     0.800     0.800 peak   801 spectrum    1 weight  0.10000E+01 volume  0.46910E-02 ppm1      0.651 ppm2      0.165 CV     1
 OR {  801}
   (  segid " 1SG" and resid 28   and name HG2%)
   (  segid " 1SG" and resid 91   and name HG2%)
 ASSI {  804}
   (  segid " 1SG" and resid 91   and name HG1%)
   (  segid " 1SG" and resid 6    and name HD2%)
      2.400     0.700     0.700 peak   804 spectrum    1 weight  0.10000E+01 volume  0.46813E-02 ppm1      0.186 ppm2      0.489 CV     1
 OR {  804}
   (  segid " 1SG" and resid 91   and name HG2%)
   (  segid " 1SG" and resid 6    and name HD2%)
 ASSI {  808}
   (( segid " 1SG" and resid 57   and name HG  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      2.200     0.600     0.600 peak   808 spectrum    1 weight  0.10000E+01 volume  0.46521E-02 ppm1      0.750 ppm2      1.460 CV     1
 ASSI {  814}
   (( segid " 1SG" and resid 34   and name HA  ))
   (( segid " 1SG" and resid 34   and name HB1 ))
      2.400     0.700     0.700 peak   814 spectrum    1 weight  0.10000E+01 volume  0.46312E-02 ppm1      4.298 ppm2      1.673 CV     1
 OR {  814}
   (( segid " 1SG" and resid 34   and name HA  ))
   (( segid " 1SG" and resid 34   and name HB2 ))
 ASSI {  818}
   (( segid " 1SG" and resid 12   and name HG1 ))
   (( segid " 1SG" and resid 12   and name HB2 ))
      2.300     0.700     0.700 peak   818 spectrum    1 weight  0.10000E+01 volume  0.46115E-02 ppm1      2.482 ppm2      1.977 CV     1
 OR {  818}
   (( segid " 1SG" and resid 12   and name HG2 ))
   (( segid " 1SG" and resid 12   and name HB2 ))
 ASSI {  821}
   (  segid " 1SG" and resid 49   and name HD2%)
   (( segid " 1SG" and resid 49   and name HG  ))
      2.200     0.600     0.600 peak   821 spectrum    1 weight  0.10000E+01 volume  0.45873E-02 ppm1      1.031 ppm2      0.803 CV     1
 ASSI {  826}
   (  segid " 1SG" and resid 26   and name HB% )
   (( segid " 1SG" and resid 26   and name HA  ))
      2.300     0.600     0.600 peak   826 spectrum    1 weight  0.10000E+01 volume  0.45551E-02 ppm1      1.469 ppm2      4.924 CV     1
 ASSI {  828}
   (( segid " 1SG" and resid 80   and name HG2 ))
   (( segid " 1SG" and resid 80   and name HB1 ))
      2.400     0.700     0.700 peak   828 spectrum    1 weight  0.10000E+01 volume  0.45213E-02 ppm1      2.181 ppm2      1.949 CV     1
 OR {  828}
   (( segid " 1SG" and resid 80   and name HG1 ))
   (( segid " 1SG" and resid 80   and name HB2 ))
 OR {  828}
   (( segid " 1SG" and resid 80   and name HG2 ))
   (( segid " 1SG" and resid 80   and name HB2 ))
 OR {  828}
   (( segid " 1SG" and resid 80   and name HG1 ))
   (( segid " 1SG" and resid 80   and name HB1 ))
 ASSI {  833}
   (  segid " 1SG" and resid 47   and name HG2%)
   (( segid " 1SG" and resid 47   and name HB  ))
      2.400     0.700     0.700 peak   833 spectrum    1 weight  0.10000E+01 volume  0.44166E-02 ppm1      0.794 ppm2      2.534 CV     1
 ASSI {  836}
   (  segid " 1SG" and resid 4    and name HG2%)
   (( segid " 1SG" and resid 4    and name HB  ))
      2.300     0.700     0.700 peak   836 spectrum    1 weight  0.10000E+01 volume  0.43765E-02 ppm1      0.914 ppm2      2.051 CV     1
 ASSI {  837}
   (  segid " 1SG" and resid 33   and name HD1%)
   (  segid " 1SG" and resid 93   and name HG2%)
      2.400     0.700     0.700 peak   837 spectrum    1 weight  0.10000E+01 volume  0.43752E-02 ppm1      0.872 ppm2      1.036 CV     1
 OR {  837}
   (  segid " 1SG" and resid 33   and name HD2%)
   (  segid " 1SG" and resid 93   and name HG2%)
 ASSI {  852}
   (( segid " 1SG" and resid 45   and name HD2 ))
   (( segid " 1SG" and resid 45   and name HG2 ))
      2.400     0.700     0.700 peak   852 spectrum    1 weight  0.10000E+01 volume  0.43037E-02 ppm1      1.241 ppm2      0.603 CV     1
 OR {  852}
   (( segid " 1SG" and resid 45   and name HD1 ))
   (( segid " 1SG" and resid 45   and name HG2 ))
 OR {  852}
   (( segid " 1SG" and resid 45   and name HD1 ))
   (( segid " 1SG" and resid 45   and name HB2 ))
 OR {  852}
   (( segid " 1SG" and resid 45   and name HD2 ))
   (( segid " 1SG" and resid 45   and name HB2 ))
 ASSI {  854}
   (  segid " 1SG" and resid 39   and name HG2%)
   (( segid " 1SG" and resid 39   and name HB  ))
      2.400     0.700     0.700 peak   854 spectrum    1 weight  0.10000E+01 volume  0.42795E-02 ppm1     -0.446 ppm2      0.589 CV     1
 ASSI {  857}
   (  segid " 1SG" and resid 47   and name HG1%)
   (( segid " 1SG" and resid 47   and name HB  ))
      2.400     0.700     0.700 peak   857 spectrum    1 weight  0.10000E+01 volume  0.42382E-02 ppm1      0.995 ppm2      2.528 CV     1
 ASSI {  862}
   (  segid " 1SG" and resid 16   and name HG2%)
   (  segid " 1SG" and resid 106  and name HG2%)
      2.500     0.800     0.800 peak   862 spectrum    1 weight  0.10000E+01 volume  0.42091E-02 ppm1      0.633 ppm2      0.390 CV     1
 ASSI {  867}
   (  segid " 1SG" and resid 59   and name HD2%)
   (( segid " 1SG" and resid 59   and name HA  ))
      2.400     0.700     0.700 peak   867 spectrum    1 weight  0.10000E+01 volume  0.41689E-02 ppm1      0.713 ppm2      5.190 CV     1
 ASSI {  874}
   (( segid " 1SG" and resid 4    and name HB  ))
   (  segid " 1SG" and resid 4    and name HG2%)
      2.300     0.700     0.700 peak   874 spectrum    1 weight  0.10000E+01 volume  0.41368E-02 ppm1      2.054 ppm2      0.917 CV     1
 OR {  874}
   (( segid " 1SG" and resid 4    and name HB  ))
   (  segid " 1SG" and resid 4    and name HD1%)
 ASSI {  877}
   (( segid " 1SG" and resid 58   and name HG2 ))
   (( segid " 1SG" and resid 55   and name HG2 ))
      2.200     2.200     3.800 peak   877 spectrum    1 weight  0.10000E+01 volume  0.41161E-02 ppm1      1.820 ppm2      2.047 CV     1
 OR {  877}
   (( segid " 1SG" and resid 58   and name HG2 ))
   (( segid " 1SG" and resid 55   and name HG1 ))
 ASSI {  880}
   (  segid " 1SG" and resid 18   and name HG1%)
   (( segid " 1SG" and resid 18   and name HA  ))
      2.400     0.700     0.700 peak   880 spectrum    1 weight  0.10000E+01 volume  0.40912E-02 ppm1      1.011 ppm2      3.517 CV     1
 ASSI {  882}
   (( segid " 1SG" and resid 38   and name HA  ))
   (  segid " 1SG" and resid 38   and name HG2%)
      2.600     0.800     0.800 peak   882 spectrum    1 weight  0.10000E+01 volume  0.40832E-02 ppm1      3.900 ppm2      0.791 CV     1
 ASSI {  885}
   (( segid " 1SG" and resid 62   and name HB2 ))
   (( segid " 1SG" and resid 62   and name HA  ))
      2.700     0.900     0.900 peak   885 spectrum    1 weight  0.10000E+01 volume  0.40696E-02 ppm1      3.814 ppm2      4.609 CV     1
 ASSI {  887}
   (  segid " 1SG" and resid 93   and name HG2%)
   (( segid " 1SG" and resid 93   and name HA  ))
      2.400     0.700     0.700 peak   887 spectrum    1 weight  0.10000E+01 volume  0.40674E-02 ppm1      1.040 ppm2      4.794 CV     1
 ASSI {  894}
   (( segid " 1SG" and resid 52   and name HD1 ))
   (  segid " 1SG" and resid 47   and name HG1%)
      2.400     2.400     3.600 peak   894 spectrum    1 weight  0.10000E+01 volume  0.40316E-02 ppm1      1.585 ppm2      0.965 CV     1
 OR {  894}
   (( segid " 1SG" and resid 52   and name HD2 ))
   (  segid " 1SG" and resid 47   and name HG1%)
 ASSI {  895}
   (( segid " 1SG" and resid 49   and name HG  ))
   (( segid " 1SG" and resid 49   and name HB2 ))
      2.300     0.700     0.700 peak   895 spectrum    1 weight  0.10000E+01 volume  0.40275E-02 ppm1      0.800 ppm2      1.561 CV     1
 ASSI {  896}
   (  segid " 1SG" and resid 106  and name HG2%)
   (( segid " 1SG" and resid 106  and name HB  ))
      2.300     0.700     0.700 peak   896 spectrum    1 weight  0.10000E+01 volume  0.40256E-02 ppm1      0.392 ppm2      1.861 CV     1
 ASSI {  897}
   (  segid " 1SG" and resid 4    and name HD1%)
   (( segid " 1SG" and resid 96   and name HB2 ))
      2.300     0.700     0.700 peak   897 spectrum    1 weight  0.10000E+01 volume  0.40210E-02 ppm1      0.965 ppm2      1.581 CV     1
 ASSI {  908}
   (  segid " 1SG" and resid 106  and name HG1%)
   (( segid " 1SG" and resid 106  and name HB  ))
      2.300     0.700     0.700 peak   908 spectrum    1 weight  0.10000E+01 volume  0.39447E-02 ppm1      0.695 ppm2      1.859 CV     1
 ASSI {  910}
   (( segid " 1SG" and resid 96   and name HB2 ))
   (( segid " 1SG" and resid 96   and name HG2 ))
      2.400     0.700     0.700 peak   910 spectrum    1 weight  0.10000E+01 volume  0.39128E-02 ppm1      1.587 ppm2      1.335 CV     1
 OR {  910}
   (( segid " 1SG" and resid 96   and name HB2 ))
   (( segid " 1SG" and resid 96   and name HG1 ))
 ASSI {  913}
   (  segid " 1SG" and resid 59   and name HD1%)
   (( segid " 1SG" and resid 59   and name HG  ))
      2.300     0.700     0.700 peak   913 spectrum    1 weight  0.10000E+01 volume  0.38898E-02 ppm1      0.866 ppm2      1.440 CV     1
 ASSI {  931}
   (( segid " 1SG" and resid 65   and name HB1 ))
   (( segid " 1SG" and resid 65   and name HA  ))
      2.500     0.800     0.800 peak   931 spectrum    1 weight  0.10000E+01 volume  0.38061E-02 ppm1      1.768 ppm2      3.458 CV     1
 OR {  931}
   (( segid " 1SG" and resid 65   and name HB2 ))
   (( segid " 1SG" and resid 65   and name HA  ))
 ASSI {  932}
   (  segid " 1SG" and resid 71   and name HD1%)
   (( segid " 1SG" and resid 71   and name HA  ))
      2.300     0.700     0.700 peak   932 spectrum    1 weight  0.10000E+01 volume  0.38061E-02 ppm1      0.861 ppm2      5.068 CV     1
 ASSI {  934}
   (  segid " 1SG" and resid 39   and name HG1%)
   (( segid " 1SG" and resid 39   and name HB  ))
      2.400     0.700     0.700 peak   934 spectrum    1 weight  0.10000E+01 volume  0.37994E-02 ppm1     -0.065 ppm2      0.591 CV     1
 ASSI {  935}
   (( segid " 1SG" and resid 49   and name HG  ))
   (( segid " 1SG" and resid 49   and name HA  ))
      2.300     0.700     0.700 peak   935 spectrum    1 weight  0.10000E+01 volume  0.37960E-02 ppm1      0.803 ppm2      3.862 CV     1
 ASSI {  937}
   (( segid " 1SG" and resid 86   and name HA1 ))
   (( segid " 1SG" and resid 86   and name HA2 ))
      2.100     0.500     0.500 peak   937 spectrum    1 weight  0.10000E+01 volume  0.37627E-02 ppm1      3.487 ppm2      4.665 CV     1
 ASSI {  947}
   (( segid " 1SG" and resid 16   and name HB  ))
   (  segid " 1SG" and resid 16   and name HG1%)
      2.400     0.700     0.700 peak   947 spectrum    1 weight  0.10000E+01 volume  0.36895E-02 ppm1      1.819 ppm2      0.980 CV     1
 ASSI {  949}
   (( segid " 1SG" and resid 16   and name HB  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      2.500     0.800     0.800 peak   949 spectrum    1 weight  0.10000E+01 volume  0.36822E-02 ppm1      1.824 ppm2      0.622 CV     1
 ASSI {  952}
   (( segid " 1SG" and resid 95   and name HA  ))
   (( segid " 1SG" and resid 95   and name HB2 ))
      2.500     0.800     0.800 peak   952 spectrum    1 weight  0.10000E+01 volume  0.36782E-02 ppm1      4.737 ppm2      2.633 CV     1
 ASSI {  953}
   (( segid " 1SG" and resid 77   and name HB  ))
   (( segid " 1SG" and resid 77   and name HA  ))
      2.300     0.700     0.700 peak   953 spectrum    1 weight  0.10000E+01 volume  0.36753E-02 ppm1      4.029 ppm2      4.666 CV     1
 ASSI {  955}
   (( segid " 1SG" and resid 53   and name HA  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      2.400     0.700     0.700 peak   955 spectrum    1 weight  0.10000E+01 volume  0.36697E-02 ppm1      4.054 ppm2      1.080 CV     1
 ASSI {  963}
   (  segid " 1SG" and resid 74   and name HD1%)
   (  segid " 1SG" and resid 49   and name HD2%)
      2.400     0.700     0.700 peak   963 spectrum    1 weight  0.10000E+01 volume  0.36224E-02 ppm1      0.410 ppm2      1.032 CV     1
 OR {  963}
   (  segid " 1SG" and resid 74   and name HD2%)
   (  segid " 1SG" and resid 49   and name HD2%)
 ASSI {  965}
   (( segid " 1SG" and resid 3    and name HD2 ))
   (( segid " 1SG" and resid 4    and name HB  ))
      2.200     2.200     3.800 peak   965 spectrum    1 weight  0.10000E+01 volume  0.36171E-02 ppm1      3.857 ppm2      2.022 CV     1
 OR {  965}
   (( segid " 1SG" and resid 3    and name HD1 ))
   (( segid " 1SG" and resid 4    and name HB  ))
 ASSI {  966}
   (( segid " 1SG" and resid 61   and name HA  ))
   (( segid " 1SG" and resid 72   and name HA  ))
      2.300     0.600     0.600 peak   966 spectrum    1 weight  0.10000E+01 volume  0.36108E-02 ppm1      5.559 ppm2      5.379 CV     1
 ASSI {  969}
   (  segid " 1SG" and resid 47   and name HG2%)
   (( segid " 1SG" and resid 47   and name HA  ))
      2.600     0.800     0.800 peak   969 spectrum    1 weight  0.10000E+01 volume  0.35965E-02 ppm1      0.793 ppm2      4.074 CV     1
 ASSI {  972}
   (  segid " 1SG" and resid 106  and name HG1%)
   (( segid " 1SG" and resid 106  and name HA  ))
      2.700     0.900     0.900 peak   972 spectrum    1 weight  0.10000E+01 volume  0.35725E-02 ppm1      0.694 ppm2      4.732 CV     1
 ASSI {  978}
   (  segid " 1SG" and resid 104  and name HD1%)
   (( segid " 1SG" and resid 104  and name HA  ))
      2.800     1.000     1.000 peak   978 spectrum    1 weight  0.10000E+01 volume  0.35545E-02 ppm1      0.981 ppm2      5.437 CV     1
 ASSI {  984}
   (  segid " 1SG" and resid 22   and name HD1%)
   (( segid " 1SG" and resid 104  and name HB2 ))
      2.700     0.900     0.900 peak   984 spectrum    1 weight  0.10000E+01 volume  0.35143E-02 ppm1      0.549 ppm2      1.243 CV     1
 OR {  984}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 104  and name HB2 ))
 ASSI {  987}
   (( segid " 1SG" and resid 51   and name HB2 ))
   (( segid " 1SG" and resid 51   and name HA  ))
      2.600     0.800     0.800 peak   987 spectrum    1 weight  0.10000E+01 volume  0.35009E-02 ppm1      4.023 ppm2      4.565 CV     1
 ASSI {  990}
   (  segid " 1SG" and resid 18   and name HG2%)
   (( segid " 1SG" and resid 108  and name HA  ))
      2.400     0.700     0.700 peak   990 spectrum    1 weight  0.10000E+01 volume  0.34988E-02 ppm1      0.965 ppm2      4.151 CV     1
 ASSI {  991}
   (( segid " 1SG" and resid 55   and name HB2 ))
   (( segid " 1SG" and resid 55   and name HA  ))
      2.600     0.800     0.800 peak   991 spectrum    1 weight  0.10000E+01 volume  0.34953E-02 ppm1      1.787 ppm2      4.002 CV     1
 ASSI {  992}
   (( segid " 1SG" and resid 106  and name HA  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      2.500     0.800     0.800 peak   992 spectrum    1 weight  0.10000E+01 volume  0.34930E-02 ppm1      4.730 ppm2      0.388 CV     1
 ASSI {  993}
   (  segid " 1SG" and resid 4    and name HG2%)
   (( segid " 1SG" and resid 96   and name HB2 ))
      2.400     0.700     0.700 peak   993 spectrum    1 weight  0.10000E+01 volume  0.34840E-02 ppm1      0.918 ppm2      1.588 CV     1
 ASSI { 1004}
   (( segid " 1SG" and resid 33   and name HA  ))
   (( segid " 1SG" and resid 33   and name HB2 ))
      2.500     0.800     0.800 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.34233E-02 ppm1      4.459 ppm2      1.732 CV     1
 ASSI { 1008}
   (( segid " 1SG" and resid 77   and name HA  ))
   (( segid " 1SG" and resid 21   and name HA  ))
      2.300     0.700     0.700 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.34136E-02 ppm1      4.665 ppm2      5.519 CV     1
 ASSI { 1009}
   (( segid " 1SG" and resid 84   and name HA  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      2.500     0.800     0.800 peak  1009 spectrum    1 weight  0.10000E+01 volume  0.34095E-02 ppm1      4.230 ppm2      1.496 CV     1
 ASSI { 1011}
   (  segid " 1SG" and resid 59   and name HD1%)
   (  segid " 1SG" and resid 53   and name HG2%)
      2.500     0.800     0.800 peak  1011 spectrum    1 weight  0.10000E+01 volume  0.34032E-02 ppm1      0.870 ppm2      1.085 CV     1
 ASSI { 1013}
   (( segid " 1SG" and resid 27   and name HG1 ))
   (( segid " 1SG" and resid 72   and name HB2 ))
      2.900     2.900     3.100 peak  1013 spectrum    1 weight  0.10000E+01 volume  0.33992E-02 ppm1      1.705 ppm2      2.865 CV     1
 OR { 1013}
   (( segid " 1SG" and resid 27   and name HG2 ))
   (( segid " 1SG" and resid 72   and name HB2 ))
 ASSI { 1019}
   (( segid " 1SG" and resid 35   and name HA  ))
   (( segid " 1SG" and resid 36   and name HD2 ))
      2.500     0.800     0.800 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.33699E-02 ppm1      4.673 ppm2      3.509 CV     1
 ASSI { 1021}
   (  segid " 1SG" and resid 22   and name HD1%)
   (( segid " 1SG" and resid 22   and name HG12))
      2.400     0.700     0.700 peak  1021 spectrum    1 weight  0.10000E+01 volume  0.33633E-02 ppm1      0.548 ppm2      0.108 CV     1
 OR { 1021}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 22   and name HG12))
 ASSI { 1031}
   (  segid " 1SG" and resid 76   and name HG2%)
   (( segid " 1SG" and resid 76   and name HB  ))
      2.400     0.700     0.700 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.33329E-02 ppm1      0.825 ppm2      1.940 CV     1
 ASSI { 1032}
   (  segid " 1SG" and resid 22   and name HG2%)
   (  segid " 1SG" and resid 76   and name HG2%)
      2.500     0.800     0.800 peak  1032 spectrum    1 weight  0.10000E+01 volume  0.33230E-02 ppm1      0.611 ppm2      0.830 CV     1
 ASSI { 1035}
   (( segid " 1SG" and resid 6    and name HB2 ))
   (( segid " 1SG" and resid 6    and name HG  ))
      2.500     0.800     0.800 peak  1035 spectrum    1 weight  0.10000E+01 volume  0.33025E-02 ppm1      0.962 ppm2      1.328 CV     1
 ASSI { 1046}
   (  segid " 1SG" and resid 106  and name HG2%)
   (( segid " 1SG" and resid 18   and name HA  ))
      2.400     0.700     0.700 peak  1046 spectrum    1 weight  0.10000E+01 volume  0.32666E-02 ppm1      0.391 ppm2      3.516 CV     1
 ASSI { 1047}
   (( segid " 1SG" and resid 16   and name HB  ))
   (( segid " 1SG" and resid 16   and name HA  ))
      2.500     0.800     0.800 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.32613E-02 ppm1      1.820 ppm2      4.604 CV     1
 ASSI { 1055}
   (( segid " 1SG" and resid 71   and name HB2 ))
   (( segid " 1SG" and resid 69   and name HB  ))
      2.300     2.300     3.700 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.32364E-02 ppm1      1.264 ppm2      1.770 CV     1
 ASSI { 1057}
   (  segid " 1SG" and resid 79   and name HB% )
   (  segid " 1SG" and resid 106  and name HG2%)
      2.600     0.900     0.900 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.32324E-02 ppm1      1.196 ppm2      0.392 CV     1
 ASSI { 1077}
   (  segid " 1SG" and resid 69   and name HG1%)
   (( segid " 1SG" and resid 29   and name HA  ))
      2.500     0.800     0.800 peak  1077 spectrum    1 weight  0.10000E+01 volume  0.31374E-02 ppm1      0.863 ppm2      4.391 CV     1
 OR { 1077}
   (  segid " 1SG" and resid 69   and name HG2%)
   (( segid " 1SG" and resid 29   and name HA  ))
 ASSI { 1080}
   (( segid " 1SG" and resid 58   and name HB2 ))
   (( segid " 1SG" and resid 58   and name HG2 ))
      2.500     0.800     0.800 peak  1080 spectrum    1 weight  0.10000E+01 volume  0.31105E-02 ppm1      2.406 ppm2      1.814 CV     1
 OR { 1080}
   (( segid " 1SG" and resid 58   and name HB1 ))
   (( segid " 1SG" and resid 58   and name HG2 ))
 ASSI { 1081}
   (( segid " 1SG" and resid 76   and name HB  ))
   (  segid " 1SG" and resid 22   and name HG2%)
      2.400     0.700     0.700 peak  1081 spectrum    1 weight  0.10000E+01 volume  0.31087E-02 ppm1      1.938 ppm2      0.610 CV     1
 ASSI { 1082}
   (( segid " 1SG" and resid 57   and name HG  ))
   (  segid " 1SG" and resid 74   and name HD1%)
      2.700     0.900     0.900 peak  1082 spectrum    1 weight  0.10000E+01 volume  0.31045E-02 ppm1      0.751 ppm2      0.415 CV     1
 OR { 1082}
   (( segid " 1SG" and resid 57   and name HG  ))
   (  segid " 1SG" and resid 74   and name HD2%)
 ASSI { 1083}
   (( segid " 1SG" and resid 22   and name HG12))
   (( segid " 1SG" and resid 104  and name HB2 ))
      2.300     0.600     0.600 peak  1083 spectrum    1 weight  0.10000E+01 volume  0.31037E-02 ppm1      0.106 ppm2      1.251 CV     1
 ASSI { 1088}
   (  segid " 1SG" and resid 39   and name HG2%)
   (( segid " 1SG" and resid 39   and name HA  ))
      2.600     0.800     0.800 peak  1088 spectrum    1 weight  0.10000E+01 volume  0.30997E-02 ppm1     -0.447 ppm2      4.803 CV     1
 ASSI { 1089}
   (( segid " 1SG" and resid 77   and name HA  ))
   (  segid " 1SG" and resid 77   and name HG2%)
      2.500     0.800     0.800 peak  1089 spectrum    1 weight  0.10000E+01 volume  0.30958E-02 ppm1      4.662 ppm2      1.045 CV     1
 ASSI { 1092}
   (( segid " 1SG" and resid 18   and name HA  ))
   (  segid " 1SG" and resid 18   and name HG1%)
      2.500     0.800     0.800 peak  1092 spectrum    1 weight  0.10000E+01 volume  0.30746E-02 ppm1      3.510 ppm2      0.968 CV     1
 OR { 1092}
   (( segid " 1SG" and resid 18   and name HA  ))
   (  segid " 1SG" and resid 18   and name HG2%)
 ASSI { 1095}
   (( segid " 1SG" and resid 9    and name HG2 ))
   (( segid " 1SG" and resid 9    and name HB2 ))
      2.600     0.800     0.800 peak  1095 spectrum    1 weight  0.10000E+01 volume  0.30655E-02 ppm1      2.524 ppm2      1.911 CV     1
 ASSI { 1102}
   (( segid " 1SG" and resid 27   and name HD2 ))
   (( segid " 1SG" and resid 27   and name HG1 ))
      2.500     0.800     0.800 peak  1102 spectrum    1 weight  0.10000E+01 volume  0.30251E-02 ppm1      3.131 ppm2      1.704 CV     1
 OR { 1102}
   (( segid " 1SG" and resid 27   and name HD1 ))
   (( segid " 1SG" and resid 27   and name HG2 ))
 OR { 1102}
   (( segid " 1SG" and resid 27   and name HD1 ))
   (( segid " 1SG" and resid 27   and name HG1 ))
 OR { 1102}
   (( segid " 1SG" and resid 27   and name HD2 ))
   (( segid " 1SG" and resid 27   and name HG2 ))
 ASSI { 1105}
   (  segid " 1SG" and resid 28   and name HG2%)
   (( segid " 1SG" and resid 28   and name HA  ))
      2.600     0.800     0.800 peak  1105 spectrum    1 weight  0.10000E+01 volume  0.30024E-02 ppm1      0.652 ppm2      4.910 CV     1
 ASSI { 1109}
   (( segid " 1SG" and resid 3    and name HB2 ))
   (( segid " 1SG" and resid 3    and name HA  ))
      2.500     0.800     0.800 peak  1109 spectrum    1 weight  0.10000E+01 volume  0.29937E-02 ppm1      2.293 ppm2      4.452 CV     1
 OR { 1109}
   (( segid " 1SG" and resid 3    and name HB1 ))
   (( segid " 1SG" and resid 3    and name HA  ))
 ASSI { 1115}
   (( segid " 1SG" and resid 52   and name HD2 ))
   (( segid " 1SG" and resid 52   and name HA  ))
      2.700     0.900     0.900 peak  1115 spectrum    1 weight  0.10000E+01 volume  0.29869E-02 ppm1      1.579 ppm2      4.625 CV     1
 OR { 1115}
   (( segid " 1SG" and resid 52   and name HD1 ))
   (( segid " 1SG" and resid 52   and name HA  ))
 ASSI { 1120}
   (( segid " 1SG" and resid 21   and name HB2 ))
   (( segid " 1SG" and resid 21   and name HA  ))
      2.600     0.800     0.800 peak  1120 spectrum    1 weight  0.10000E+01 volume  0.29636E-02 ppm1      3.759 ppm2      5.523 CV     1
 ASSI { 1127}
   (( segid " 1SG" and resid 107  and name HA  ))
   (( segid " 1SG" and resid 107  and name HB1 ))
      2.600     0.800     0.800 peak  1127 spectrum    1 weight  0.10000E+01 volume  0.29351E-02 ppm1      4.805 ppm2      3.085 CV     1
 OR { 1127}
   (( segid " 1SG" and resid 107  and name HA  ))
   (( segid " 1SG" and resid 107  and name HB2 ))
 ASSI { 1129}
   (( segid " 1SG" and resid 96   and name HA  ))
   (( segid " 1SG" and resid 96   and name HG1 ))
      2.600     0.800     0.800 peak  1129 spectrum    1 weight  0.10000E+01 volume  0.29280E-02 ppm1      4.790 ppm2      1.336 CV     1
 OR { 1129}
   (( segid " 1SG" and resid 96   and name HA  ))
   (( segid " 1SG" and resid 96   and name HG2 ))
 ASSI { 1131}
   (( segid " 1SG" and resid 1    and name HA  ))
   (( segid " 1SG" and resid 2    and name HB2 ))
      3.100     1.200     1.200 peak  1131 spectrum    1 weight  0.10000E+01 volume  0.29277E-02 ppm1      4.623 ppm2      2.692 CV     1
 ASSI { 1135}
   (  segid " 1SG" and resid 59   and name HD2%)
   (( segid " 1SG" and resid 74   and name HA  ))
      3.000     1.100     1.100 peak  1135 spectrum    1 weight  0.10000E+01 volume  0.29140E-02 ppm1      0.717 ppm2      4.346 CV     1
 ASSI { 1145}
   (  segid " 1SG" and resid 18   and name HG2%)
   (( segid " 1SG" and resid 108  and name HG1 ))
      2.700     0.900     0.900 peak  1145 spectrum    1 weight  0.10000E+01 volume  0.28869E-02 ppm1      0.973 ppm2      2.203 CV     1
 OR { 1145}
   (  segid " 1SG" and resid 18   and name HG2%)
   (( segid " 1SG" and resid 108  and name HG2 ))
 ASSI { 1152}
   (  segid " 1SG" and resid 69   and name HG1%)
   (( segid " 1SG" and resid 27   and name HD1 ))
      2.700     0.900     0.900 peak  1152 spectrum    1 weight  0.10000E+01 volume  0.28701E-02 ppm1      0.852 ppm2      3.126 CV     1
 OR { 1152}
   (  segid " 1SG" and resid 69   and name HG1%)
   (( segid " 1SG" and resid 27   and name HD2 ))
 ASSI { 1156}
   (  segid " 1SG" and resid 59   and name HD2%)
   (( segid " 1SG" and resid 59   and name HB1 ))
      2.700     0.900     0.900 peak  1156 spectrum    1 weight  0.10000E+01 volume  0.28630E-02 ppm1      0.714 ppm2      1.697 CV     1
 OR { 1156}
   (  segid " 1SG" and resid 59   and name HD2%)
   (( segid " 1SG" and resid 59   and name HB2 ))
 ASSI { 1161}
   (( segid " 1SG" and resid 59   and name HB1 ))
   (  segid " 1SG" and resid 59   and name HD1%)
      2.500     0.800     0.800 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.28376E-02 ppm1      1.712 ppm2      0.868 CV     1
 OR { 1161}
   (( segid " 1SG" and resid 59   and name HB2 ))
   (  segid " 1SG" and resid 59   and name HD1%)
 ASSI { 1176}
   (  segid " 1SG" and resid 4    and name HG2%)
   (  segid " 1SG" and resid 6    and name HD2%)
      2.600     0.900     0.900 peak  1176 spectrum    1 weight  0.10000E+01 volume  0.27795E-02 ppm1      0.914 ppm2      0.491 CV     1
 ASSI { 1183}
   (( segid " 1SG" and resid 45   and name HA  ))
   (( segid " 1SG" and resid 45   and name HG2 ))
      2.600     0.900     0.900 peak  1183 spectrum    1 weight  0.10000E+01 volume  0.27602E-02 ppm1      3.497 ppm2      0.609 CV     1
 OR { 1183}
   (( segid " 1SG" and resid 45   and name HA  ))
   (( segid " 1SG" and resid 45   and name HB2 ))
 ASSI { 1189}
   (( segid " 1SG" and resid 94   and name HA  ))
   (( segid " 1SG" and resid 94   and name HB2 ))
      2.500     0.800     0.800 peak  1189 spectrum    1 weight  0.10000E+01 volume  0.27500E-02 ppm1      4.042 ppm2      1.799 CV     1
 ASSI { 1191}
   (  segid " 1SG" and resid 76   and name HD1%)
   (( segid " 1SG" and resid 59   and name HG  ))
      2.300     2.300     3.700 peak  1191 spectrum    1 weight  0.10000E+01 volume  0.27457E-02 ppm1      0.677 ppm2      1.411 CV     1
 ASSI { 1193}
   (( segid " 1SG" and resid 43   and name HE2 ))
   (( segid " 1SG" and resid 43   and name HD2 ))
      2.500     0.800     0.800 peak  1193 spectrum    1 weight  0.10000E+01 volume  0.27415E-02 ppm1      2.518 ppm2      1.326 CV     1
 OR { 1193}
   (( segid " 1SG" and resid 43   and name HE2 ))
   (( segid " 1SG" and resid 43   and name HD1 ))
 ASSI { 1202}
   (( segid " 1SG" and resid 2    and name HB2 ))
   (( segid " 1SG" and resid 96   and name HE2 ))
      3.000     3.000     3.000 peak  1202 spectrum    1 weight  0.10000E+01 volume  0.26810E-02 ppm1      2.692 ppm2      2.944 CV     1
 OR { 1202}
   (( segid " 1SG" and resid 2    and name HB2 ))
   (( segid " 1SG" and resid 96   and name HE1 ))
 ASSI { 1203}
   (( segid " 1SG" and resid 81   and name HA  ))
   (( segid " 1SG" and resid 106  and name HB  ))
      3.000     1.100     1.100 peak  1203 spectrum    1 weight  0.10000E+01 volume  0.26803E-02 ppm1      4.003 ppm2      1.861 CV     1
 ASSI { 1205}
   (  segid " 1SG" and resid 28   and name HG2%)
   (( segid " 1SG" and resid 28   and name HB  ))
      2.600     0.800     0.800 peak  1205 spectrum    1 weight  0.10000E+01 volume  0.26747E-02 ppm1      0.652 ppm2      1.978 CV     1
 ASSI { 1215}
   (( segid " 1SG" and resid 25   and name HB2 ))
   (  segid " 1SG" and resid 71   and name HD1%)
      2.600     0.800     0.800 peak  1215 spectrum    1 weight  0.10000E+01 volume  0.26337E-02 ppm1      3.603 ppm2      0.862 CV     1
 ASSI { 1219}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 22   and name HB  ))
      2.500     0.800     0.800 peak  1219 spectrum    1 weight  0.10000E+01 volume  0.26235E-02 ppm1      0.612 ppm2      1.535 CV     1
 ASSI { 1220}
   (  segid " 1SG" and resid 28   and name HG1%)
   (( segid " 1SG" and resid 28   and name HB  ))
      2.600     0.800     0.800 peak  1220 spectrum    1 weight  0.10000E+01 volume  0.26149E-02 ppm1      0.816 ppm2      1.976 CV     1
 ASSI { 1223}
   (( segid " 1SG" and resid 53   and name HB  ))
   (( segid " 1SG" and resid 53   and name HA  ))
      2.600     0.900     0.900 peak  1223 spectrum    1 weight  0.10000E+01 volume  0.26039E-02 ppm1      2.132 ppm2      4.051 CV     1
 ASSI { 1230}
   (( segid " 1SG" and resid 61   and name HA  ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      3.100     3.100     2.900 peak  1230 spectrum    1 weight  0.10000E+01 volume  0.25876E-02 ppm1      5.567 ppm2      2.787 CV     1
 ASSI { 1236}
   (( segid " 1SG" and resid 59   and name HA  ))
   (( segid " 1SG" and resid 59   and name HB2 ))
      2.500     0.800     0.800 peak  1236 spectrum    1 weight  0.10000E+01 volume  0.25705E-02 ppm1      5.198 ppm2      1.702 CV     1
 OR { 1236}
   (( segid " 1SG" and resid 59   and name HA  ))
   (( segid " 1SG" and resid 59   and name HB1 ))
 ASSI { 1239}
   (( segid " 1SG" and resid 64   and name HA  ))
   (( segid " 1SG" and resid 64   and name HB2 ))
      2.600     0.900     0.900 peak  1239 spectrum    1 weight  0.10000E+01 volume  0.25659E-02 ppm1      4.580 ppm2      2.354 CV     1
 ASSI { 1244}
   (( segid " 1SG" and resid 52   and name HE2 ))
   (( segid " 1SG" and resid 52   and name HD1 ))
      2.600     0.900     0.900 peak  1244 spectrum    1 weight  0.10000E+01 volume  0.25526E-02 ppm1      2.788 ppm2      1.574 CV     1
 OR { 1244}
   (( segid " 1SG" and resid 52   and name HE2 ))
   (( segid " 1SG" and resid 52   and name HD2 ))
 ASSI { 1246}
   (  segid " 1SG" and resid 104  and name HD1%)
   (( segid " 1SG" and resid 104  and name HB2 ))
      2.500     0.800     0.800 peak  1246 spectrum    1 weight  0.10000E+01 volume  0.25486E-02 ppm1      0.976 ppm2      1.219 CV     1
 ASSI { 1251}
   (( segid " 1SG" and resid 80   and name HA  ))
   (( segid " 1SG" and resid 81   and name HD2 ))
      2.900     1.000     1.000 peak  1251 spectrum    1 weight  0.10000E+01 volume  0.25338E-02 ppm1      4.639 ppm2      3.592 CV     1
 ASSI { 1254}
   (( segid " 1SG" and resid 57   and name HA  ))
   (( segid " 1SG" and resid 76   and name HA  ))
      2.400     0.700     0.700 peak  1254 spectrum    1 weight  0.10000E+01 volume  0.25272E-02 ppm1      5.425 ppm2      5.012 CV     1
 ASSI { 1259}
   (( segid " 1SG" and resid 22   and name HA  ))
   (( segid " 1SG" and resid 22   and name HB  ))
      2.500     0.800     0.800 peak  1259 spectrum    1 weight  0.10000E+01 volume  0.25193E-02 ppm1      4.352 ppm2      1.534 CV     1
 ASSI { 1266}
   (  segid " 1SG" and resid 22   and name HD1%)
   (( segid " 1SG" and resid 14   and name HA1 ))
      2.500     0.800     0.800 peak  1266 spectrum    1 weight  0.10000E+01 volume  0.24951E-02 ppm1      0.548 ppm2      3.749 CV     1
 ASSI { 1267}
   (( segid " 1SG" and resid 59   and name HG  ))
   (( segid " 1SG" and resid 57   and name HG  ))
      3.100     3.100     2.900 peak  1267 spectrum    1 weight  0.10000E+01 volume  0.24942E-02 ppm1      1.460 ppm2      0.749 CV     1
 ASSI { 1272}
   (( segid " 1SG" and resid 58   and name HA  ))
   (( segid " 1SG" and resid 58   and name HB2 ))
      2.600     0.800     0.800 peak  1272 spectrum    1 weight  0.10000E+01 volume  0.24802E-02 ppm1      4.626 ppm2      2.405 CV     1
 OR { 1272}
   (( segid " 1SG" and resid 58   and name HA  ))
   (( segid " 1SG" and resid 58   and name HB1 ))
 ASSI { 1274}
   (( segid " 1SG" and resid 65   and name HA  ))
   (( segid " 1SG" and resid 65   and name HG2 ))
      2.700     0.900     0.900 peak  1274 spectrum    1 weight  0.10000E+01 volume  0.24699E-02 ppm1      3.458 ppm2      1.692 CV     1
 OR { 1274}
   (( segid " 1SG" and resid 65   and name HA  ))
   (( segid " 1SG" and resid 65   and name HG1 ))
 ASSI { 1276}
   (  segid " 1SG" and resid 93   and name HG2%)
   (( segid " 1SG" and resid 35   and name HD2 ))
      2.500     2.500     3.500 peak  1276 spectrum    1 weight  0.10000E+01 volume  0.24679E-02 ppm1      1.041 ppm2      1.641 CV     1
 OR { 1276}
   (  segid " 1SG" and resid 93   and name HG2%)
   (( segid " 1SG" and resid 35   and name HD1 ))
 ASSI { 1281}
   (( segid " 1SG" and resid 49   and name HG  ))
   (( segid " 1SG" and resid 43   and name HD2 ))
      2.600     0.900     0.900 peak  1281 spectrum    1 weight  0.10000E+01 volume  0.24567E-02 ppm1      0.802 ppm2      1.337 CV     1
 OR { 1281}
   (( segid " 1SG" and resid 49   and name HG  ))
   (( segid " 1SG" and resid 43   and name HD1 ))
 ASSI { 1282}
   (( segid " 1SG" and resid 78   and name HA  ))
   (( segid " 1SG" and resid 78   and name HB2 ))
      2.500     0.800     0.800 peak  1282 spectrum    1 weight  0.10000E+01 volume  0.24543E-02 ppm1      4.117 ppm2      2.383 CV     1
 ASSI { 1285}
   (  segid " 1SG" and resid 8    and name HG2%)
   (( segid " 1SG" and resid 29   and name HA  ))
      2.700     0.900     0.900 peak  1285 spectrum    1 weight  0.10000E+01 volume  0.24493E-02 ppm1      0.964 ppm2      4.391 CV     1
 OR { 1285}
   (  segid " 1SG" and resid 8    and name HG1%)
   (( segid " 1SG" and resid 29   and name HA  ))
 ASSI { 1286}
   (  segid " 1SG" and resid 8    and name HG2%)
   (  segid " 1SG" and resid 6    and name HD2%)
      2.800     2.800     3.200 peak  1286 spectrum    1 weight  0.10000E+01 volume  0.24486E-02 ppm1      0.928 ppm2      0.476 CV     1
 ASSI { 1288}
   (( segid " 1SG" and resid 96   and name HA  ))
   (( segid " 1SG" and resid 94   and name HE2 ))
      2.900     2.900     3.100 peak  1288 spectrum    1 weight  0.10000E+01 volume  0.24327E-02 ppm1      4.809 ppm2      3.001 CV     1
 OR { 1288}
   (( segid " 1SG" and resid 96   and name HA  ))
   (( segid " 1SG" and resid 94   and name HE1 ))
 ASSI { 1297}
   (( segid " 1SG" and resid 52   and name HE2 ))
   (( segid " 1SG" and resid 52   and name HG2 ))
      2.700     0.900     0.900 peak  1297 spectrum    1 weight  0.10000E+01 volume  0.24171E-02 ppm1      2.788 ppm2      1.344 CV     1
 OR { 1297}
   (( segid " 1SG" and resid 52   and name HE2 ))
   (( segid " 1SG" and resid 52   and name HG1 ))
 ASSI { 1298}
   (( segid " 1SG" and resid 49   and name HG  ))
   (( segid " 1SG" and resid 43   and name HB2 ))
      2.500     0.800     0.800 peak  1298 spectrum    1 weight  0.10000E+01 volume  0.24147E-02 ppm1      0.801 ppm2      1.228 CV     1
 ASSI { 1302}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 22   and name HG12))
      2.600     0.800     0.800 peak  1302 spectrum    1 weight  0.10000E+01 volume  0.24063E-02 ppm1      0.611 ppm2      0.097 CV     1
 ASSI { 1303}
   (( segid " 1SG" and resid 94   and name HG2 ))
   (( segid " 1SG" and resid 94   and name HA  ))
      3.000     1.100     1.100 peak  1303 spectrum    1 weight  0.10000E+01 volume  0.24059E-02 ppm1      1.416 ppm2      4.044 CV     1
 OR { 1303}
   (( segid " 1SG" and resid 94   and name HG1 ))
   (( segid " 1SG" and resid 94   and name HA  ))
 ASSI { 1309}
   (( segid " 1SG" and resid 96   and name HA  ))
   (( segid " 1SG" and resid 96   and name HB2 ))
      2.700     0.900     0.900 peak  1309 spectrum    1 weight  0.10000E+01 volume  0.23989E-02 ppm1      4.786 ppm2      1.579 CV     1
 ASSI { 1319}
   (  segid " 1SG" and resid 76   and name HG2%)
   (( segid " 1SG" and resid 76   and name HA  ))
      2.500     0.800     0.800 peak  1319 spectrum    1 weight  0.10000E+01 volume  0.23770E-02 ppm1      0.823 ppm2      5.012 CV     1
 ASSI { 1333}
   (( segid " 1SG" and resid 3    and name HA  ))
   (( segid " 1SG" and resid 4    and name HB  ))
      3.400     1.500     1.500 peak  1333 spectrum    1 weight  0.10000E+01 volume  0.23404E-02 ppm1      4.450 ppm2      2.008 CV     1
 ASSI { 1335}
   (( segid " 1SG" and resid 27   and name HA  ))
   (( segid " 1SG" and resid 27   and name HB2 ))
      2.500     0.800     0.800 peak  1335 spectrum    1 weight  0.10000E+01 volume  0.23308E-02 ppm1      5.836 ppm2      1.599 CV     1
 OR { 1335}
   (( segid " 1SG" and resid 27   and name HA  ))
   (( segid " 1SG" and resid 27   and name HB1 ))
 ASSI { 1338}
   (( segid " 1SG" and resid 19   and name HA1 ))
   (( segid " 1SG" and resid 78   and name HA  ))
      2.700     0.900     0.900 peak  1338 spectrum    1 weight  0.10000E+01 volume  0.23244E-02 ppm1      4.274 ppm2      4.121 CV     1
 OR { 1338}
   (( segid " 1SG" and resid 19   and name HA2 ))
   (( segid " 1SG" and resid 78   and name HA  ))
 ASSI { 1346}
   (  segid " 1SG" and resid 69   and name HG2%)
   (( segid " 1SG" and resid 67   and name HB1 ))
      2.800     1.000     1.000 peak  1346 spectrum    1 weight  0.10000E+01 volume  0.23114E-02 ppm1      0.868 ppm2      3.737 CV     1
 OR { 1346}
   (  segid " 1SG" and resid 69   and name HG2%)
   (( segid " 1SG" and resid 67   and name HB2 ))
 ASSI { 1351}
   (( segid " 1SG" and resid 59   and name HB2 ))
   (( segid " 1SG" and resid 59   and name HG  ))
      2.500     0.800     0.800 peak  1351 spectrum    1 weight  0.10000E+01 volume  0.22992E-02 ppm1      1.699 ppm2      1.439 CV     1
 OR { 1351}
   (( segid " 1SG" and resid 59   and name HB1 ))
   (( segid " 1SG" and resid 59   and name HG  ))
 ASSI { 1356}
   (  segid " 1SG" and resid 91   and name HG1%)
   (  segid " 1SG" and resid 39   and name HG1%)
      2.900     1.100     1.100 peak  1356 spectrum    1 weight  0.10000E+01 volume  0.22825E-02 ppm1      0.170 ppm2     -0.067 CV     1
 OR { 1356}
   (  segid " 1SG" and resid 91   and name HG2%)
   (  segid " 1SG" and resid 39   and name HG1%)
 ASSI { 1360}
   (( segid " 1SG" and resid 23   and name HA  ))
   (  segid " 1SG" and resid 23   and name HG2%)
      2.700     0.900     0.900 peak  1360 spectrum    1 weight  0.10000E+01 volume  0.22760E-02 ppm1      5.129 ppm2      0.782 CV     1
 ASSI { 1365}
   (( segid " 1SG" and resid 34   and name HG  ))
   (( segid " 1SG" and resid 35   and name HG2 ))
      2.700     0.900     0.900 peak  1365 spectrum    1 weight  0.10000E+01 volume  0.22677E-02 ppm1      0.938 ppm2      1.372 CV     1
 OR { 1365}
   (( segid " 1SG" and resid 34   and name HG  ))
   (( segid " 1SG" and resid 35   and name HG1 ))
 ASSI { 1367}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 22   and name HB  ))
      2.600     0.800     0.800 peak  1367 spectrum    1 weight  0.10000E+01 volume  0.22629E-02 ppm1      0.558 ppm2      1.537 CV     1
 OR { 1367}
   (  segid " 1SG" and resid 22   and name HD1%)
   (( segid " 1SG" and resid 22   and name HB  ))
 ASSI { 1368}
   (  segid " 1SG" and resid 106  and name HG2%)
   (( segid " 1SG" and resid 81   and name HA  ))
      2.600     0.900     0.900 peak  1368 spectrum    1 weight  0.10000E+01 volume  0.22622E-02 ppm1      0.389 ppm2      4.015 CV     1
 ASSI { 1375}
   (  segid " 1SG" and resid 4    and name HG2%)
   (  segid " 1SG" and resid 6    and name HD1%)
      2.700     0.900     0.900 peak  1375 spectrum    1 weight  0.10000E+01 volume  0.22384E-02 ppm1      0.911 ppm2      0.677 CV     1
 ASSI { 1377}
   (  segid " 1SG" and resid 4    and name HG2%)
   (( segid " 1SG" and resid 4    and name HG12))
      2.600     0.800     0.800 peak  1377 spectrum    1 weight  0.10000E+01 volume  0.22376E-02 ppm1      0.918 ppm2      1.237 CV     1
 ASSI { 1378}
   (( segid " 1SG" and resid 68   and name HG1 ))
   (( segid " 1SG" and resid 68   and name HA  ))
      2.700     0.900     0.900 peak  1378 spectrum    1 weight  0.10000E+01 volume  0.22366E-02 ppm1      1.279 ppm2      3.604 CV     1
 OR { 1378}
   (( segid " 1SG" and resid 68   and name HG2 ))
   (( segid " 1SG" and resid 68   and name HA  ))
 ASSI { 1381}
   (  segid " 1SG" and resid 104  and name HD2%)
   (( segid " 1SG" and resid 104  and name HB2 ))
      3.100     1.200     1.200 peak  1381 spectrum    1 weight  0.10000E+01 volume  0.22337E-02 ppm1      0.839 ppm2      1.251 CV     1
 ASSI { 1382}
   (  segid " 1SG" and resid 49   and name HD2%)
   (  segid " 1SG" and resid 49   and name HD1%)
      2.600     0.800     0.800 peak  1382 spectrum    1 weight  0.10000E+01 volume  0.22298E-02 ppm1      1.033 ppm2      1.768 CV     1
 ASSI { 1385}
   (  segid " 1SG" and resid 93   and name HG2%)
   (( segid " 1SG" and resid 37   and name HB2 ))
      3.100     1.200     1.200 peak  1385 spectrum    1 weight  0.10000E+01 volume  0.22203E-02 ppm1      1.032 ppm2      1.383 CV     1
 OR { 1385}
   (  segid " 1SG" and resid 93   and name HG2%)
   (( segid " 1SG" and resid 37   and name HG2 ))
 ASSI { 1390}
   (( segid " 1SG" and resid 45   and name HE2 ))
   (( segid " 1SG" and resid 45   and name HD2 ))
      2.700     0.900     0.900 peak  1390 spectrum    1 weight  0.10000E+01 volume  0.22126E-02 ppm1      2.582 ppm2      1.239 CV     1
 OR { 1390}
   (( segid " 1SG" and resid 45   and name HE2 ))
   (( segid " 1SG" and resid 45   and name HD1 ))
 ASSI { 1399}
   (( segid " 1SG" and resid 31   and name HA  ))
   (( segid " 1SG" and resid 68   and name HD1 ))
      2.700     0.900     0.900 peak  1399 spectrum    1 weight  0.10000E+01 volume  0.21905E-02 ppm1      4.175 ppm2      1.683 CV     1
 OR { 1399}
   (( segid " 1SG" and resid 31   and name HA  ))
   (( segid " 1SG" and resid 68   and name HD2 ))
 ASSI { 1400}
   (( segid " 1SG" and resid 91   and name HA  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      2.700     0.900     0.900 peak  1400 spectrum    1 weight  0.10000E+01 volume  0.21882E-02 ppm1      4.748 ppm2      0.161 CV     1
 ASSI { 1402}
   (( segid " 1SG" and resid 68   and name HG1 ))
   (( segid " 1SG" and resid 68   and name HB2 ))
      2.700     0.900     0.900 peak  1402 spectrum    1 weight  0.10000E+01 volume  0.21840E-02 ppm1      1.273 ppm2      1.772 CV     1
 OR { 1402}
   (( segid " 1SG" and resid 68   and name HG2 ))
   (( segid " 1SG" and resid 68   and name HB2 ))
 ASSI { 1404}
   (( segid " 1SG" and resid 37   and name HA  ))
   (( segid " 1SG" and resid 37   and name HB2 ))
      2.900     1.100     1.100 peak  1404 spectrum    1 weight  0.10000E+01 volume  0.21803E-02 ppm1      4.505 ppm2      1.382 CV     1
 OR { 1404}
   (( segid " 1SG" and resid 37   and name HA  ))
   (( segid " 1SG" and resid 37   and name HG2 ))
 ASSI { 1406}
   (  segid " 1SG" and resid 53   and name HG1%)
   (( segid " 1SG" and resid 58   and name HA  ))
      2.800     0.900     0.900 peak  1406 spectrum    1 weight  0.10000E+01 volume  0.21751E-02 ppm1      1.121 ppm2      4.624 CV     1
 ASSI { 1408}
   (( segid " 1SG" and resid 28   and name HA  ))
   (  segid " 1SG" and resid 28   and name HG1%)
      2.700     0.900     0.900 peak  1408 spectrum    1 weight  0.10000E+01 volume  0.21701E-02 ppm1      4.915 ppm2      0.817 CV     1
 ASSI { 1412}
   (  segid " 1SG" and resid 74   and name HD2%)
   (( segid " 1SG" and resid 59   and name HG  ))
      2.600     0.800     0.800 peak  1412 spectrum    1 weight  0.10000E+01 volume  0.21617E-02 ppm1      0.409 ppm2      1.447 CV     1
 OR { 1412}
   (  segid " 1SG" and resid 74   and name HD1%)
   (( segid " 1SG" and resid 59   and name HG  ))
 ASSI { 1420}
   (( segid " 1SG" and resid 75   and name HA  ))
   (( segid " 1SG" and resid 75   and name HB1 ))
      2.700     0.900     0.900 peak  1420 spectrum    1 weight  0.10000E+01 volume  0.21404E-02 ppm1      5.087 ppm2      2.897 CV     1
 OR { 1420}
   (( segid " 1SG" and resid 75   and name HA  ))
   (( segid " 1SG" and resid 75   and name HB2 ))
 ASSI { 1421}
   (( segid " 1SG" and resid 45   and name HD1 ))
   (  segid " 1SG" and resid 104  and name HD2%)
      2.900     2.900     3.100 peak  1421 spectrum    1 weight  0.10000E+01 volume  0.21389E-02 ppm1      1.234 ppm2      0.834 CV     1
 OR { 1421}
   (( segid " 1SG" and resid 45   and name HD2 ))
   (  segid " 1SG" and resid 104  and name HD2%)
 ASSI { 1426}
   (( segid " 1SG" and resid 2    and name HA  ))
   (( segid " 1SG" and resid 2    and name HB2 ))
      2.700     0.900     0.900 peak  1426 spectrum    1 weight  0.10000E+01 volume  0.21326E-02 ppm1      4.912 ppm2      2.661 CV     1
 ASSI { 1433}
   (( segid " 1SG" and resid 105  and name HB  ))
   (( segid " 1SG" and resid 15   and name HA  ))
      2.600     0.900     0.900 peak  1433 spectrum    1 weight  0.10000E+01 volume  0.21270E-02 ppm1      3.901 ppm2      5.501 CV     1
 ASSI { 1435}
   (( segid " 1SG" and resid 12   and name HA  ))
   (( segid " 1SG" and resid 12   and name HG2 ))
      3.100     1.200     1.200 peak  1435 spectrum    1 weight  0.10000E+01 volume  0.21251E-02 ppm1      4.685 ppm2      2.479 CV     1
 OR { 1435}
   (( segid " 1SG" and resid 12   and name HA  ))
   (( segid " 1SG" and resid 12   and name HG1 ))
 ASSI { 1437}
   (( segid " 1SG" and resid 61   and name HA  ))
   (( segid " 1SG" and resid 61   and name HB2 ))
      2.800     1.000     1.000 peak  1437 spectrum    1 weight  0.10000E+01 volume  0.21237E-02 ppm1      5.569 ppm2      2.306 CV     1
 ASSI { 1441}
   (( segid " 1SG" and resid 68   and name HG1 ))
   (( segid " 1SG" and resid 68   and name HE2 ))
      2.800     1.000     1.000 peak  1441 spectrum    1 weight  0.10000E+01 volume  0.21174E-02 ppm1      1.275 ppm2      3.028 CV     1
 OR { 1441}
   (( segid " 1SG" and resid 68   and name HG2 ))
   (( segid " 1SG" and resid 68   and name HE2 ))
 OR { 1441}
   (( segid " 1SG" and resid 68   and name HG1 ))
   (( segid " 1SG" and resid 68   and name HE1 ))
 OR { 1441}
   (( segid " 1SG" and resid 68   and name HG2 ))
   (( segid " 1SG" and resid 68   and name HE1 ))
 ASSI { 1451}
   (  segid " 1SG" and resid 22   and name HG2%)
   (  segid " 1SG" and resid 74   and name HD1%)
      3.400     3.400     2.600 peak  1451 spectrum    1 weight  0.10000E+01 volume  0.21041E-02 ppm1      0.549 ppm2      0.431 CV     1
 OR { 1451}
   (  segid " 1SG" and resid 22   and name HD1%)
   (  segid " 1SG" and resid 74   and name HD1%)
 OR { 1451}
   (  segid " 1SG" and resid 22   and name HG2%)
   (  segid " 1SG" and resid 74   and name HD2%)
 ASSI { 1453}
   (( segid " 1SG" and resid 4    and name HA  ))
   (  segid " 1SG" and resid 4    and name HD1%)
      3.400     1.500     1.500 peak  1453 spectrum    1 weight  0.10000E+01 volume  0.20962E-02 ppm1      4.030 ppm2      0.969 CV     1
 ASSI { 1456}
   (( segid " 1SG" and resid 9    and name HA  ))
   (( segid " 1SG" and resid 27   and name HD2 ))
      3.200     3.200     2.800 peak  1456 spectrum    1 weight  0.10000E+01 volume  0.20883E-02 ppm1      4.631 ppm2      3.112 CV     1
 OR { 1456}
   (( segid " 1SG" and resid 9    and name HA  ))
   (( segid " 1SG" and resid 27   and name HD1 ))
 ASSI { 1457}
   (( segid " 1SG" and resid 57   and name HG  ))
   (  segid " 1SG" and resid 49   and name HD2%)
      2.800     1.000     1.000 peak  1457 spectrum    1 weight  0.10000E+01 volume  0.20882E-02 ppm1      0.752 ppm2      1.025 CV     1
 ASSI { 1459}
   (( segid " 1SG" and resid 57   and name HB2 ))
   (( segid " 1SG" and resid 57   and name HA  ))
      2.400     0.700     0.700 peak  1459 spectrum    1 weight  0.10000E+01 volume  0.20816E-02 ppm1      1.475 ppm2      5.430 CV     1
 ASSI { 1461}
   (( segid " 1SG" and resid 12   and name HB2 ))
   (( segid " 1SG" and resid 12   and name HA  ))
      3.000     1.100     1.100 peak  1461 spectrum    1 weight  0.10000E+01 volume  0.20765E-02 ppm1      1.970 ppm2      4.684 CV     1
 ASSI { 1471}
   (  segid " 1SG" and resid 76   and name HG2%)
   (( segid " 1SG" and resid 76   and name HG12))
      2.600     0.900     0.900 peak  1471 spectrum    1 weight  0.10000E+01 volume  0.20651E-02 ppm1      0.820 ppm2      1.098 CV     1
 ASSI { 1479}
   (( segid " 1SG" and resid 53   and name HA  ))
   (  segid " 1SG" and resid 57   and name HD1%)
      2.700     0.900     0.900 peak  1479 spectrum    1 weight  0.10000E+01 volume  0.20500E-02 ppm1      4.059 ppm2      0.613 CV     1
 OR { 1479}
   (( segid " 1SG" and resid 53   and name HA  ))
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI { 1481}
   (( segid " 1SG" and resid 40   and name HA  ))
   (( segid " 1SG" and resid 40   and name HB2 ))
      2.700     0.900     0.900 peak  1481 spectrum    1 weight  0.10000E+01 volume  0.20493E-02 ppm1      4.549 ppm2      1.359 CV     1
 ASSI { 1483}
   (  segid " 1SG" and resid 59   and name HD1%)
   (  segid " 1SG" and resid 74   and name HD2%)
      3.300     1.300     1.300 peak  1483 spectrum    1 weight  0.10000E+01 volume  0.20471E-02 ppm1      0.863 ppm2      0.419 CV     1
 OR { 1483}
   (  segid " 1SG" and resid 59   and name HD1%)
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI { 1494}
   (( segid " 1SG" and resid 74   and name HB2 ))
   (  segid " 1SG" and resid 74   and name HD1%)
      3.000     1.100     1.100 peak  1494 spectrum    1 weight  0.10000E+01 volume  0.20240E-02 ppm1     -0.825 ppm2      0.419 CV     1
 OR { 1494}
   (( segid " 1SG" and resid 74   and name HB2 ))
   (  segid " 1SG" and resid 74   and name HD2%)
 ASSI { 1497}
   (( segid " 1SG" and resid 71   and name HB2 ))
   (  segid " 1SG" and resid 71   and name HD2%)
      2.700     0.900     0.900 peak  1497 spectrum    1 weight  0.10000E+01 volume  0.20205E-02 ppm1      1.272 ppm2      0.752 CV     1
 ASSI { 1504}
   (( segid " 1SG" and resid 105  and name HB  ))
   (( segid " 1SG" and resid 15   and name HG2 ))
      2.800     1.000     1.000 peak  1504 spectrum    1 weight  0.10000E+01 volume  0.20107E-02 ppm1      3.909 ppm2      2.266 CV     1
 OR { 1504}
   (( segid " 1SG" and resid 105  and name HB  ))
   (( segid " 1SG" and resid 15   and name HG1 ))
 ASSI { 1508}
   (( segid " 1SG" and resid 76   and name HB  ))
   (  segid " 1SG" and resid 76   and name HD1%)
      2.700     0.900     0.900 peak  1508 spectrum    1 weight  0.10000E+01 volume  0.19999E-02 ppm1      1.941 ppm2      0.670 CV     1
 ASSI { 1516}
   (( segid " 1SG" and resid 36   and name HB2 ))
   (( segid " 1SG" and resid 36   and name HG2 ))
      2.600     0.800     0.800 peak  1516 spectrum    1 weight  0.10000E+01 volume  0.19885E-02 ppm1      1.634 ppm2      1.985 CV     1
 ASSI { 1523}
   (( segid " 1SG" and resid 59   and name HG  ))
   (  segid " 1SG" and resid 57   and name HD1%)
      3.100     1.200     1.200 peak  1523 spectrum    1 weight  0.10000E+01 volume  0.19765E-02 ppm1      1.446 ppm2      0.612 CV     1
 OR { 1523}
   (( segid " 1SG" and resid 59   and name HG  ))
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI { 1529}
   (( segid " 1SG" and resid 25   and name HA  ))
   (( segid " 1SG" and resid 73   and name HA  ))
      2.500     0.800     0.800 peak  1529 spectrum    1 weight  0.10000E+01 volume  0.19669E-02 ppm1      5.692 ppm2      5.470 CV     1
 ASSI { 1539}
   (( segid " 1SG" and resid 106  and name HA  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      2.700     0.900     0.900 peak  1539 spectrum    1 weight  0.10000E+01 volume  0.19534E-02 ppm1      4.721 ppm2      0.624 CV     1
 ASSI { 1541}
   (( segid " 1SG" and resid 52   and name HA  ))
   (( segid " 1SG" and resid 53   and name HB  ))
      3.000     3.000     3.000 peak  1541 spectrum    1 weight  0.10000E+01 volume  0.19502E-02 ppm1      4.618 ppm2      2.165 CV     1
 ASSI { 1545}
   (( segid " 1SG" and resid 14   and name HA2 ))
   (  segid " 1SG" and resid 22   and name HD1%)
      3.400     1.400     1.400 peak  1545 spectrum    1 weight  0.10000E+01 volume  0.19330E-02 ppm1      4.934 ppm2      0.546 CV     1
 ASSI { 1547}
   (  segid " 1SG" and resid 18   and name HG2%)
   (( segid " 1SG" and resid 81   and name HD2 ))
      3.300     1.300     1.300 peak  1547 spectrum    1 weight  0.10000E+01 volume  0.19296E-02 ppm1      0.966 ppm2      3.590 CV     1
 ASSI { 1572}
   (  segid " 1SG" and resid 79   and name HB% )
   (( segid " 1SG" and resid 18   and name HA  ))
      2.800     1.000     1.000 peak  1572 spectrum    1 weight  0.10000E+01 volume  0.18959E-02 ppm1      1.195 ppm2      3.508 CV     1
 ASSI { 1580}
   (( segid " 1SG" and resid 98   and name HB2 ))
   (( segid " 1SG" and resid 7    and name HB2 ))
      2.800     1.000     1.000 peak  1580 spectrum    1 weight  0.10000E+01 volume  0.18790E-02 ppm1      2.281 ppm2      2.543 CV     1
 ASSI { 1587}
   (  segid " 1SG" and resid 39   and name HG1%)
   (( segid " 1SG" and resid 39   and name HA  ))
      2.700     0.900     0.900 peak  1587 spectrum    1 weight  0.10000E+01 volume  0.18751E-02 ppm1     -0.057 ppm2      4.810 CV     1
 ASSI { 1588}
   (( segid " 1SG" and resid 46   and name HA  ))
   (( segid " 1SG" and resid 45   and name HA  ))
      2.900     2.900     3.100 peak  1588 spectrum    1 weight  0.10000E+01 volume  0.18746E-02 ppm1      4.981 ppm2      3.520 CV     1
 ASSI { 1589}
   (  segid " 1SG" and resid 6    and name HD2%)
   (  segid " 1SG" and resid 93   and name HG2%)
      2.800     1.000     1.000 peak  1589 spectrum    1 weight  0.10000E+01 volume  0.18745E-02 ppm1      0.491 ppm2      1.039 CV     1
 ASSI { 1605}
   (( segid " 1SG" and resid 88   and name HB2 ))
   (( segid " 1SG" and resid 40   and name HD2 ))
      2.900     2.900     3.100 peak  1605 spectrum    1 weight  0.10000E+01 volume  0.18533E-02 ppm1      1.705 ppm2      1.711 CV     1
 OR { 1605}
   (( segid " 1SG" and resid 88   and name HB2 ))
   (( segid " 1SG" and resid 40   and name HD1 ))
 ASSI { 1613}
   (( segid " 1SG" and resid 6    and name HA  ))
   (( segid " 1SG" and resid 6    and name HG  ))
      2.800     1.000     1.000 peak  1613 spectrum    1 weight  0.10000E+01 volume  0.18402E-02 ppm1      4.455 ppm2      1.332 CV     1
 ASSI { 1614}
   (( segid " 1SG" and resid 58   and name HA  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      3.200     1.300     1.300 peak  1614 spectrum    1 weight  0.10000E+01 volume  0.18389E-02 ppm1      4.624 ppm2      1.078 CV     1
 ASSI { 1616}
   (( segid " 1SG" and resid 108  and name HG1 ))
   (( segid " 1SG" and resid 108  and name HA  ))
      2.800     1.000     1.000 peak  1616 spectrum    1 weight  0.10000E+01 volume  0.18348E-02 ppm1      2.201 ppm2      4.149 CV     1
 OR { 1616}
   (( segid " 1SG" and resid 108  and name HG2 ))
   (( segid " 1SG" and resid 108  and name HA  ))
 ASSI { 1622}
   (( segid " 1SG" and resid 45   and name HG2 ))
   (( segid " 1SG" and resid 45   and name HA  ))
      2.800     1.000     1.000 peak  1622 spectrum    1 weight  0.10000E+01 volume  0.18311E-02 ppm1      0.599 ppm2      3.499 CV     1
 ASSI { 1624}
   (( segid " 1SG" and resid 68   and name HA  ))
   (( segid " 1SG" and resid 68   and name HB2 ))
      2.700     0.900     0.900 peak  1624 spectrum    1 weight  0.10000E+01 volume  0.18291E-02 ppm1      3.604 ppm2      1.772 CV     1
 ASSI { 1631}
   (( segid " 1SG" and resid 16   and name HB  ))
   (  segid " 1SG" and resid 22   and name HG2%)
      3.100     1.200     1.200 peak  1631 spectrum    1 weight  0.10000E+01 volume  0.18140E-02 ppm1      1.820 ppm2      0.552 CV     1
 OR { 1631}
   (( segid " 1SG" and resid 16   and name HB  ))
   (  segid " 1SG" and resid 22   and name HD1%)
 ASSI { 1636}
   (( segid " 1SG" and resid 8    and name HB  ))
   (( segid " 1SG" and resid 27   and name HB1 ))
      2.700     0.900     0.900 peak  1636 spectrum    1 weight  0.10000E+01 volume  0.18010E-02 ppm1      1.813 ppm2      1.600 CV     1
 OR { 1636}
   (( segid " 1SG" and resid 8    and name HB  ))
   (( segid " 1SG" and resid 27   and name HB2 ))
 ASSI { 1638}
   (( segid " 1SG" and resid 108  and name HA  ))
   (  segid " 1SG" and resid 18   and name HG1%)
      3.200     1.300     1.300 peak  1638 spectrum    1 weight  0.10000E+01 volume  0.17952E-02 ppm1      4.155 ppm2      1.005 CV     1
 ASSI { 1653}
   (( segid " 1SG" and resid 4    and name HB  ))
   (( segid " 1SG" and resid 96   and name HB2 ))
      2.800     0.900     0.900 peak  1653 spectrum    1 weight  0.10000E+01 volume  0.17729E-02 ppm1      2.052 ppm2      1.589 CV     1
 ASSI { 1655}
   (  segid " 1SG" and resid 23   and name HG2%)
   (  segid " 1SG" and resid 22   and name HD1%)
      3.300     1.400     1.400 peak  1655 spectrum    1 weight  0.10000E+01 volume  0.17702E-02 ppm1      0.793 ppm2      0.557 CV     1
 OR { 1655}
   (  segid " 1SG" and resid 23   and name HG2%)
   (  segid " 1SG" and resid 22   and name HG2%)
 ASSI { 1671}
   (( segid " 1SG" and resid 60   and name HB2 ))
   (( segid " 1SG" and resid 60   and name HA  ))
      3.000     1.100     1.100 peak  1671 spectrum    1 weight  0.10000E+01 volume  0.17473E-02 ppm1      2.975 ppm2      5.071 CV     1
 ASSI { 1676}
   (( segid " 1SG" and resid 36   and name HA  ))
   (( segid " 1SG" and resid 37   and name HD2 ))
      2.700     0.900     0.900 peak  1676 spectrum    1 weight  0.10000E+01 volume  0.17418E-02 ppm1      4.005 ppm2      2.360 CV     1
 ASSI { 1689}
   (( segid " 1SG" and resid 16   and name HA  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      3.000     1.100     1.100 peak  1689 spectrum    1 weight  0.10000E+01 volume  0.17255E-02 ppm1      4.604 ppm2      0.629 CV     1
 ASSI { 1694}
   (( segid " 1SG" and resid 57   and name HB2 ))
   (  segid " 1SG" and resid 57   and name HD2%)
      2.900     1.000     1.000 peak  1694 spectrum    1 weight  0.10000E+01 volume  0.17160E-02 ppm1      1.477 ppm2      0.615 CV     1
 OR { 1694}
   (( segid " 1SG" and resid 57   and name HB2 ))
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI { 1699}
   (( segid " 1SG" and resid 43   and name HD2 ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      2.900     2.900     3.100 peak  1699 spectrum    1 weight  0.10000E+01 volume  0.17115E-02 ppm1      1.308 ppm2      1.492 CV     1
 OR { 1699}
   (( segid " 1SG" and resid 43   and name HD1 ))
   (( segid " 1SG" and resid 57   and name HB2 ))
 ASSI { 1700}
   (( segid " 1SG" and resid 35   and name HG2 ))
   (( segid " 1SG" and resid 35   and name HA  ))
      3.300     1.300     1.300 peak  1700 spectrum    1 weight  0.10000E+01 volume  0.17102E-02 ppm1      1.361 ppm2      4.667 CV     1
 OR { 1700}
   (( segid " 1SG" and resid 35   and name HG1 ))
   (( segid " 1SG" and resid 35   and name HA  ))
 ASSI { 1703}
   (( segid " 1SG" and resid 25   and name HB2 ))
   (( segid " 1SG" and resid 25   and name HA  ))
      2.900     1.100     1.100 peak  1703 spectrum    1 weight  0.10000E+01 volume  0.17095E-02 ppm1      3.602 ppm2      5.692 CV     1
 ASSI { 1707}
   (( segid " 1SG" and resid 105  and name HA  ))
   (( segid " 1SG" and resid 84   and name HA  ))
      2.900     1.000     1.000 peak  1707 spectrum    1 weight  0.10000E+01 volume  0.17064E-02 ppm1      4.518 ppm2      4.230 CV     1
 OR { 1707}
   (( segid " 1SG" and resid 105  and name HA  ))
   (( segid " 1SG" and resid 84   and name HB  ))
 ASSI { 1711}
   (( segid " 1SG" and resid 33   and name HB2 ))
   (  segid " 1SG" and resid 33   and name HD2%)
      2.900     1.000     1.000 peak  1711 spectrum    1 weight  0.10000E+01 volume  0.17047E-02 ppm1      1.743 ppm2      0.875 CV     1
 OR { 1711}
   (( segid " 1SG" and resid 33   and name HB2 ))
   (( segid " 1SG" and resid 33   and name HG  ))
 OR { 1711}
   (( segid " 1SG" and resid 33   and name HB2 ))
   (  segid " 1SG" and resid 33   and name HD1%)
 ASSI { 1720}
   (( segid " 1SG" and resid 36   and name HA  ))
   (( segid " 1SG" and resid 36   and name HB2 ))
      3.100     1.200     1.200 peak  1720 spectrum    1 weight  0.10000E+01 volume  0.16934E-02 ppm1      4.007 ppm2      1.642 CV     1
 ASSI { 1726}
   (( segid " 1SG" and resid 88   and name HA  ))
   (( segid " 1SG" and resid 100  and name HB2 ))
      3.400     3.400     2.600 peak  1726 spectrum    1 weight  0.10000E+01 volume  0.16852E-02 ppm1      5.349 ppm2      2.953 CV     1
 ASSI { 1727}
   (  segid " 1SG" and resid 104  and name HD1%)
   (  segid " 1SG" and resid 24   and name HE% )
      2.500     2.500     3.500 peak  1727 spectrum    1 weight  0.10000E+01 volume  0.16832E-02 ppm1      0.987 ppm2      7.171 CV     1
 ASSI { 1730}
   (  segid " 1SG" and resid 49   and name HD2%)
   (( segid " 1SG" and resid 59   and name HB2 ))
      2.700     0.900     0.900 peak  1730 spectrum    1 weight  0.10000E+01 volume  0.16825E-02 ppm1      1.042 ppm2      1.718 CV     1
 OR { 1730}
   (  segid " 1SG" and resid 49   and name HD2%)
   (( segid " 1SG" and resid 59   and name HB1 ))
 ASSI { 1744}
   (( segid " 1SG" and resid 52   and name HA  ))
   (( segid " 1SG" and resid 54   and name HA2 ))
      3.100     3.100     2.900 peak  1744 spectrum    1 weight  0.10000E+01 volume  0.16669E-02 ppm1      4.623 ppm2      4.318 CV     1
 ASSI { 1759}
   (( segid " 1SG" and resid 35   and name HA  ))
   (( segid " 1SG" and resid 35   and name HB2 ))
      2.800     1.000     1.000 peak  1759 spectrum    1 weight  0.10000E+01 volume  0.16358E-02 ppm1      4.673 ppm2      1.796 CV     1
 OR { 1759}
   (( segid " 1SG" and resid 35   and name HA  ))
   (( segid " 1SG" and resid 35   and name HB1 ))
 ASSI { 1760}
   (( segid " 1SG" and resid 49   and name HB2 ))
   (  segid " 1SG" and resid 49   and name HD1%)
      2.600     0.800     0.800 peak  1760 spectrum    1 weight  0.10000E+01 volume  0.16356E-02 ppm1      1.571 ppm2      1.728 CV     1
 ASSI { 1764}
   (  segid " 1SG" and resid 76   and name HG2%)
   (( segid " 1SG" and resid 79   and name HA  ))
      2.900     2.900     3.100 peak  1764 spectrum    1 weight  0.10000E+01 volume  0.16303E-02 ppm1      0.825 ppm2      3.685 CV     1
 ASSI { 1771}
   (( segid " 1SG" and resid 36   and name HD2 ))
   (( segid " 1SG" and resid 36   and name HG2 ))
      2.600     0.900     0.900 peak  1771 spectrum    1 weight  0.10000E+01 volume  0.16251E-02 ppm1      3.510 ppm2      1.963 CV     1
 ASSI { 1789}
   (( segid " 1SG" and resid 9    and name HB2 ))
   (( segid " 1SG" and resid 9    and name HA  ))
      2.800     1.000     1.000 peak  1789 spectrum    1 weight  0.10000E+01 volume  0.16135E-02 ppm1      1.915 ppm2      4.655 CV     1
 ASSI { 1791}
   (( segid " 1SG" and resid 8    and name HB  ))
   (( segid " 1SG" and resid 8    and name HA  ))
      2.900     1.100     1.100 peak  1791 spectrum    1 weight  0.10000E+01 volume  0.16112E-02 ppm1      1.840 ppm2      4.168 CV     1
 ASSI { 1799}
   (  segid " 1SG" and resid 93   and name HG2%)
   (  segid " 1SG" and resid 91   and name HG1%)
      3.000     1.100     1.100 peak  1799 spectrum    1 weight  0.10000E+01 volume  0.16022E-02 ppm1      1.042 ppm2      0.183 CV     1
 OR { 1799}
   (  segid " 1SG" and resid 93   and name HG2%)
   (  segid " 1SG" and resid 91   and name HG2%)
 ASSI { 1802}
   (( segid " 1SG" and resid 72   and name HB2 ))
   (( segid " 1SG" and resid 72   and name HA  ))
      2.900     1.100     1.100 peak  1802 spectrum    1 weight  0.10000E+01 volume  0.15976E-02 ppm1      2.934 ppm2      5.351 CV     1
 ASSI { 1808}
   (( segid " 1SG" and resid 6    and name HG  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      2.800     0.900     0.900 peak  1808 spectrum    1 weight  0.10000E+01 volume  0.15909E-02 ppm1      1.340 ppm2      0.494 CV     1
 ASSI { 1809}
   (( segid " 1SG" and resid 24   and name HA  ))
   (( segid " 1SG" and resid 24   and name HB2 ))
      3.000     1.100     1.100 peak  1809 spectrum    1 weight  0.10000E+01 volume  0.15908E-02 ppm1      4.619 ppm2      2.415 CV     1
 ASSI { 1811}
   (  segid " 1SG" and resid 59   and name HD1%)
   (( segid " 1SG" and resid 50   and name HA  ))
      2.800     1.000     1.000 peak  1811 spectrum    1 weight  0.10000E+01 volume  0.15863E-02 ppm1      0.869 ppm2      3.945 CV     1
 ASSI { 1812}
   (( segid " 1SG" and resid 103  and name HB2 ))
   (( segid " 1SG" and resid 103  and name HA  ))
      2.900     1.100     1.100 peak  1812 spectrum    1 weight  0.10000E+01 volume  0.15863E-02 ppm1      2.506 ppm2      5.551 CV     1
 ASSI { 1815}
   (( segid " 1SG" and resid 105  and name HA  ))
   (( segid " 1SG" and resid 105  and name HB  ))
      2.900     1.000     1.000 peak  1815 spectrum    1 weight  0.10000E+01 volume  0.15845E-02 ppm1      4.515 ppm2      3.913 CV     1
 ASSI { 1823}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 104  and name HB2 ))
      3.100     1.200     1.200 peak  1823 spectrum    1 weight  0.10000E+01 volume  0.15781E-02 ppm1      0.619 ppm2      1.254 CV     1
 ASSI { 1827}
   (( segid " 1SG" and resid 52   and name HA  ))
   (( segid " 1SG" and resid 52   and name HG2 ))
      2.900     1.100     1.100 peak  1827 spectrum    1 weight  0.10000E+01 volume  0.15721E-02 ppm1      4.627 ppm2      1.339 CV     1
 OR { 1827}
   (( segid " 1SG" and resid 52   and name HA  ))
   (( segid " 1SG" and resid 52   and name HG1 ))
 ASSI { 1831}
   (  segid " 1SG" and resid 49   and name HD2%)
   (( segid " 1SG" and resid 49   and name HB2 ))
      3.200     1.300     1.300 peak  1831 spectrum    1 weight  0.10000E+01 volume  0.15681E-02 ppm1      1.030 ppm2      1.580 CV     1
 ASSI { 1841}
   (( segid " 1SG" and resid 52   and name HB2 ))
   (( segid " 1SG" and resid 52   and name HA  ))
      2.800     1.000     1.000 peak  1841 spectrum    1 weight  0.10000E+01 volume  0.15561E-02 ppm1      1.738 ppm2      4.629 CV     1
 ASSI { 1843}
   (( segid " 1SG" and resid 58   and name HA  ))
   (( segid " 1SG" and resid 58   and name HG2 ))
      3.400     1.500     1.500 peak  1843 spectrum    1 weight  0.10000E+01 volume  0.15552E-02 ppm1      4.621 ppm2      1.817 CV     1
 ASSI { 1852}
   (( segid " 1SG" and resid 69   and name HA  ))
   (( segid " 1SG" and resid 29   and name HA  ))
      2.700     0.900     0.900 peak  1852 spectrum    1 weight  0.10000E+01 volume  0.15391E-02 ppm1      4.592 ppm2      4.392 CV     1
 ASSI { 1870}
   (( segid " 1SG" and resid 15   and name HA  ))
   (( segid " 1SG" and resid 15   and name HG2 ))
      2.900     1.100     1.100 peak  1870 spectrum    1 weight  0.10000E+01 volume  0.15178E-02 ppm1      5.504 ppm2      2.280 CV     1
 OR { 1870}
   (( segid " 1SG" and resid 15   and name HA  ))
   (( segid " 1SG" and resid 15   and name HG1 ))
 ASSI { 1875}
   (( segid " 1SG" and resid 22   and name HB  ))
   (( segid " 1SG" and resid 104  and name HB2 ))
      3.100     1.200     1.200 peak  1875 spectrum    1 weight  0.10000E+01 volume  0.15150E-02 ppm1      1.541 ppm2      1.250 CV     1
 ASSI { 1880}
   (( segid " 1SG" and resid 56   and name HA  ))
   (( segid " 1SG" and resid 56   and name HB2 ))
      2.900     1.000     1.000 peak  1880 spectrum    1 weight  0.10000E+01 volume  0.15108E-02 ppm1      4.971 ppm2      3.108 CV     1
 ASSI { 1884}
   (( segid " 1SG" and resid 52   and name HG2 ))
   (( segid " 1SG" and resid 53   and name HB  ))
      3.400     3.400     2.600 peak  1884 spectrum    1 weight  0.10000E+01 volume  0.15092E-02 ppm1      1.340 ppm2      2.157 CV     1
 OR { 1884}
   (( segid " 1SG" and resid 52   and name HG1 ))
   (( segid " 1SG" and resid 53   and name HB  ))
 ASSI { 1887}
   (( segid " 1SG" and resid 4    and name HB  ))
   (( segid " 1SG" and resid 4    and name HA  ))
      2.900     1.000     1.000 peak  1887 spectrum    1 weight  0.10000E+01 volume  0.15084E-02 ppm1      2.054 ppm2      4.033 CV     1
 ASSI { 1888}
   (( segid " 1SG" and resid 37   and name HB2 ))
   (( segid " 1SG" and resid 37   and name HA  ))
      3.100     1.200     1.200 peak  1888 spectrum    1 weight  0.10000E+01 volume  0.15077E-02 ppm1      1.383 ppm2      4.501 CV     1
 ASSI { 1889}
   (( segid " 1SG" and resid 91   and name HA  ))
   (( segid " 1SG" and resid 91   and name HB  ))
      2.700     0.900     0.900 peak  1889 spectrum    1 weight  0.10000E+01 volume  0.15073E-02 ppm1      4.743 ppm2      1.134 CV     1
 ASSI { 1902}
   (( segid " 1SG" and resid 27   and name HA  ))
   (( segid " 1SG" and resid 71   and name HA  ))
      2.500     0.800     0.800 peak  1902 spectrum    1 weight  0.10000E+01 volume  0.14967E-02 ppm1      5.835 ppm2      5.076 CV     1
 ASSI { 1907}
   (( segid " 1SG" and resid 4    and name HB  ))
   (( segid " 1SG" and resid 4    and name HG12))
      3.000     1.100     1.100 peak  1907 spectrum    1 weight  0.10000E+01 volume  0.14860E-02 ppm1      2.046 ppm2      1.247 CV     1
 ASSI { 1908}
   (( segid " 1SG" and resid 45   and name HG2 ))
   (( segid " 1SG" and resid 45   and name HD2 ))
      2.900     1.100     1.100 peak  1908 spectrum    1 weight  0.10000E+01 volume  0.14856E-02 ppm1      0.596 ppm2      1.238 CV     1
 OR { 1908}
   (( segid " 1SG" and resid 45   and name HG2 ))
   (( segid " 1SG" and resid 45   and name HD1 ))
 ASSI { 1919}
   (( segid " 1SG" and resid 80   and name HA  ))
   (( segid " 1SG" and resid 80   and name HG1 ))
      3.300     1.300     1.300 peak  1919 spectrum    1 weight  0.10000E+01 volume  0.14736E-02 ppm1      4.639 ppm2      2.129 CV     1
 OR { 1919}
   (( segid " 1SG" and resid 80   and name HA  ))
   (( segid " 1SG" and resid 80   and name HG2 ))
 ASSI { 1932}
   (  segid " 1SG" and resid 57   and name HD1%)
   (  segid " 1SG" and resid 59   and name HD1%)
      3.500     1.600     1.600 peak  1932 spectrum    1 weight  0.10000E+01 volume  0.14585E-02 ppm1      0.616 ppm2      0.865 CV     1
 OR { 1932}
   (  segid " 1SG" and resid 57   and name HD2%)
   (  segid " 1SG" and resid 59   and name HD1%)
 ASSI { 1936}
   (  segid " 1SG" and resid 39   and name HG2%)
   (  segid " 1SG" and resid 28   and name HG2%)
      2.900     1.100     1.100 peak  1936 spectrum    1 weight  0.10000E+01 volume  0.14562E-02 ppm1     -0.444 ppm2      0.644 CV     1
 ASSI { 1950}
   (( segid " 1SG" and resid 24   and name HA  ))
   (( segid " 1SG" and resid 12   and name HG2 ))
      2.900     2.900     3.100 peak  1950 spectrum    1 weight  0.10000E+01 volume  0.14430E-02 ppm1      4.620 ppm2      2.453 CV     1
 OR { 1950}
   (( segid " 1SG" and resid 24   and name HA  ))
   (( segid " 1SG" and resid 12   and name HG1 ))
 ASSI { 1956}
   (( segid " 1SG" and resid 83   and name HA  ))
   (( segid " 1SG" and resid 83   and name HB2 ))
      2.900     1.100     1.100 peak  1956 spectrum    1 weight  0.10000E+01 volume  0.14396E-02 ppm1      4.609 ppm2      3.190 CV     1
 ASSI { 1963}
   (  segid " 1SG" and resid 77   and name HG2%)
   (( segid " 1SG" and resid 76   and name HA  ))
      3.200     1.300     1.300 peak  1963 spectrum    1 weight  0.10000E+01 volume  0.14329E-02 ppm1      1.045 ppm2      4.982 CV     1
 ASSI { 1965}
   (( segid " 1SG" and resid 83   and name HA  ))
   (( segid " 1SG" and resid 44   and name HA2 ))
      3.200     3.200     2.800 peak  1965 spectrum    1 weight  0.10000E+01 volume  0.14313E-02 ppm1      4.568 ppm2      3.808 CV     1
 ASSI { 1966}
   (( segid " 1SG" and resid 57   and name HB2 ))
   (( segid " 1SG" and resid 53   and name HA  ))
      3.500     1.600     1.600 peak  1966 spectrum    1 weight  0.10000E+01 volume  0.14292E-02 ppm1      1.492 ppm2      4.054 CV     1
 ASSI { 1968}
   (( segid " 1SG" and resid 33   and name HA  ))
   (( segid " 1SG" and resid 34   and name HA  ))
      3.100     1.200     1.200 peak  1968 spectrum    1 weight  0.10000E+01 volume  0.14279E-02 ppm1      4.451 ppm2      4.327 CV     1
 ASSI { 1975}
   (( segid " 1SG" and resid 7    and name HA  ))
   (( segid " 1SG" and resid 5    and name HA1 ))
      2.600     2.600     3.400 peak  1975 spectrum    1 weight  0.10000E+01 volume  0.14198E-02 ppm1      4.659 ppm2      3.881 CV     1
 OR { 1975}
   (( segid " 1SG" and resid 7    and name HA  ))
   (( segid " 1SG" and resid 5    and name HA2 ))
 ASSI { 1977}
   (  segid " 1SG" and resid 38   and name HG2%)
   (( segid " 1SG" and resid 35   and name HD1 ))
      3.000     1.100     1.100 peak  1977 spectrum    1 weight  0.10000E+01 volume  0.14197E-02 ppm1      0.817 ppm2      1.643 CV     1
 OR { 1977}
   (  segid " 1SG" and resid 38   and name HG2%)
   (( segid " 1SG" and resid 35   and name HD2 ))
 OR { 1977}
   (  segid " 1SG" and resid 38   and name HG1%)
   (( segid " 1SG" and resid 35   and name HD1 ))
 OR { 1977}
   (  segid " 1SG" and resid 38   and name HG1%)
   (( segid " 1SG" and resid 35   and name HD2 ))
 ASSI { 1987}
   (( segid " 1SG" and resid 36   and name HD2 ))
   (( segid " 1SG" and resid 35   and name HB1 ))
      2.700     0.900     0.900 peak  1987 spectrum    1 weight  0.10000E+01 volume  0.14068E-02 ppm1      3.509 ppm2      1.780 CV     1
 OR { 1987}
   (( segid " 1SG" and resid 36   and name HD2 ))
   (( segid " 1SG" and resid 35   and name HB2 ))
 ASSI { 1991}
   (  segid " 1SG" and resid 18   and name HG1%)
   (( segid " 1SG" and resid 81   and name HD2 ))
      3.700     1.700     1.700 peak  1991 spectrum    1 weight  0.10000E+01 volume  0.14024E-02 ppm1      1.013 ppm2      3.582 CV     1
 ASSI { 1993}
   (( segid " 1SG" and resid 71   and name HA  ))
   (( segid " 1SG" and resid 71   and name HB2 ))
      2.600     0.800     0.800 peak  1993 spectrum    1 weight  0.10000E+01 volume  0.14005E-02 ppm1      5.070 ppm2      1.269 CV     1
 ASSI { 1994}
   (( segid " 1SG" and resid 103  and name HA  ))
   (( segid " 1SG" and resid 86   and name HA2 ))
      2.500     0.800     0.800 peak  1994 spectrum    1 weight  0.10000E+01 volume  0.14000E-02 ppm1      5.554 ppm2      4.675 CV     1
 ASSI { 1996}
   (( segid " 1SG" and resid 81   and name HD2 ))
   (( segid " 1SG" and resid 80   and name HG1 ))
      3.200     1.300     1.300 peak  1996 spectrum    1 weight  0.10000E+01 volume  0.13988E-02 ppm1      3.576 ppm2      2.181 CV     1
 OR { 1996}
   (( segid " 1SG" and resid 81   and name HD2 ))
   (( segid " 1SG" and resid 80   and name HG2 ))
 ASSI { 2003}
   (( segid " 1SG" and resid 57   and name HG  ))
   (  segid " 1SG" and resid 49   and name HD1%)
      3.000     1.100     1.100 peak  2003 spectrum    1 weight  0.10000E+01 volume  0.13892E-02 ppm1      0.757 ppm2      1.744 CV     1
 ASSI { 2006}
   (( segid " 1SG" and resid 22   and name HA  ))
   (  segid " 1SG" and resid 22   and name HD1%)
      2.900     1.000     1.000 peak  2006 spectrum    1 weight  0.10000E+01 volume  0.13875E-02 ppm1      4.352 ppm2      0.547 CV     1
 OR { 2006}
   (( segid " 1SG" and resid 22   and name HA  ))
   (  segid " 1SG" and resid 22   and name HG2%)
 ASSI { 2007}
   (  segid " 1SG" and resid 76   and name HG2%)
   (( segid " 1SG" and resid 57   and name HB2 ))
      2.600     0.900     0.900 peak  2007 spectrum    1 weight  0.10000E+01 volume  0.13871E-02 ppm1      0.827 ppm2      1.423 CV     1
 ASSI { 2008}
   (( segid " 1SG" and resid 33   and name HG  ))
   (( segid " 1SG" and resid 35   and name HA  ))
      3.200     1.200     1.200 peak  2008 spectrum    1 weight  0.10000E+01 volume  0.13870E-02 ppm1      0.923 ppm2      4.674 CV     1
 ASSI { 2013}
   (( segid " 1SG" and resid 80   and name HG1 ))
   (  segid " 1SG" and resid 82   and name HB% )
      3.000     1.100     1.100 peak  2013 spectrum    1 weight  0.10000E+01 volume  0.13826E-02 ppm1      2.167 ppm2      1.347 CV     1
 OR { 2013}
   (( segid " 1SG" and resid 80   and name HG2 ))
   (  segid " 1SG" and resid 82   and name HB% )
 ASSI { 2016}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 22   and name HA  ))
      3.200     1.300     1.300 peak  2016 spectrum    1 weight  0.10000E+01 volume  0.13811E-02 ppm1      0.604 ppm2      4.356 CV     1
 ASSI { 2017}
   (( segid " 1SG" and resid 90   and name HA  ))
   (( segid " 1SG" and resid 99   and name HA  ))
      2.800     1.000     1.000 peak  2017 spectrum    1 weight  0.10000E+01 volume  0.13808E-02 ppm1      4.768 ppm2      5.709 CV     1
 ASSI { 2024}
   (  segid " 1SG" and resid 49   and name HD2%)
   (  segid " 1SG" and resid 87   and name HD% )
      3.400     1.500     1.500 peak  2024 spectrum    1 weight  0.10000E+01 volume  0.13729E-02 ppm1      1.029 ppm2      6.809 CV     1
 ASSI { 2025}
   (( segid " 1SG" and resid 4    and name HA  ))
   (( segid " 1SG" and resid 4    and name HG12))
      2.900     1.000     1.000 peak  2025 spectrum    1 weight  0.10000E+01 volume  0.13723E-02 ppm1      4.024 ppm2      1.245 CV     1
 ASSI { 2043}
   (( segid " 1SG" and resid 89   and name HA  ))
   (( segid " 1SG" and resid 99   and name HB2 ))
      3.200     3.200     2.800 peak  2043 spectrum    1 weight  0.10000E+01 volume  0.13584E-02 ppm1      4.982 ppm2      2.753 CV     1
 ASSI { 2047}
   (( segid " 1SG" and resid 40   and name HB2 ))
   (( segid " 1SG" and resid 40   and name HD2 ))
      2.800     1.000     1.000 peak  2047 spectrum    1 weight  0.10000E+01 volume  0.13560E-02 ppm1      1.370 ppm2      1.689 CV     1
 OR { 2047}
   (( segid " 1SG" and resid 40   and name HB2 ))
   (( segid " 1SG" and resid 40   and name HD1 ))
 ASSI { 2053}
   (( segid " 1SG" and resid 27   and name HD1 ))
   (  segid " 1SG" and resid 8    and name HG1%)
      3.000     1.100     1.100 peak  2053 spectrum    1 weight  0.10000E+01 volume  0.13515E-02 ppm1      3.129 ppm2      0.966 CV     1
 OR { 2053}
   (( segid " 1SG" and resid 27   and name HD2 ))
   (  segid " 1SG" and resid 8    and name HG1%)
 OR { 2053}
   (( segid " 1SG" and resid 27   and name HD1 ))
   (  segid " 1SG" and resid 8    and name HG2%)
 ASSI { 2059}
   (  segid " 1SG" and resid 106  and name HG1%)
   (( segid " 1SG" and resid 84   and name HA  ))
      3.000     1.200     1.200 peak  2059 spectrum    1 weight  0.10000E+01 volume  0.13466E-02 ppm1      0.696 ppm2      4.231 CV     1
 OR { 2059}
   (  segid " 1SG" and resid 106  and name HG1%)
   (( segid " 1SG" and resid 84   and name HB  ))
 ASSI { 2066}
   (( segid " 1SG" and resid 10   and name HB2 ))
   (  segid " 1SG" and resid 26   and name HB% )
      3.500     3.500     2.500 peak  2066 spectrum    1 weight  0.10000E+01 volume  0.13371E-02 ppm1      1.238 ppm2      1.481 CV     1
 ASSI { 2078}
   (  segid " 1SG" and resid 69   and name HG1%)
   (( segid " 1SG" and resid 27   and name HA  ))
      3.200     1.300     1.300 peak  2078 spectrum    1 weight  0.10000E+01 volume  0.13264E-02 ppm1      0.856 ppm2      5.839 CV     1
 ASSI { 2079}
   (  segid " 1SG" and resid 77   and name HG2%)
   (( segid " 1SG" and resid 21   and name HB2 ))
      3.100     1.200     1.200 peak  2079 spectrum    1 weight  0.10000E+01 volume  0.13254E-02 ppm1      1.049 ppm2      3.757 CV     1
 ASSI { 2082}
   (( segid " 1SG" and resid 21   and name HA  ))
   (( segid " 1SG" and resid 20   and name HN  ))
      3.100     3.100     2.900 peak  2082 spectrum    1 weight  0.10000E+01 volume  0.13240E-02 ppm1      5.517 ppm2      8.843 CV     1
 ASSI { 2087}
   (( segid " 1SG" and resid 58   and name HG2 ))
   (( segid " 1SG" and resid 75   and name HB2 ))
      3.100     1.200     1.200 peak  2087 spectrum    1 weight  0.10000E+01 volume  0.13181E-02 ppm1      1.816 ppm2      2.887 CV     1
 OR { 2087}
   (( segid " 1SG" and resid 58   and name HG2 ))
   (( segid " 1SG" and resid 75   and name HB1 ))
 ASSI { 2091}
   (( segid " 1SG" and resid 38   and name HA  ))
   (( segid " 1SG" and resid 38   and name HB  ))
      3.000     1.100     1.100 peak  2091 spectrum    1 weight  0.10000E+01 volume  0.13160E-02 ppm1      3.896 ppm2      1.900 CV     1
 ASSI { 2110}
   (( segid " 1SG" and resid 37   and name HD2 ))
   (( segid " 1SG" and resid 37   and name HG2 ))
      2.800     1.000     1.000 peak  2110 spectrum    1 weight  0.10000E+01 volume  0.13029E-02 ppm1      2.368 ppm2      1.373 CV     1
 OR { 2110}
   (( segid " 1SG" and resid 37   and name HD2 ))
   (( segid " 1SG" and resid 37   and name HB2 ))
 ASSI { 2115}
   (( segid " 1SG" and resid 97   and name HA  ))
   (( segid " 1SG" and resid 97   and name HB2 ))
      2.900     1.000     1.000 peak  2115 spectrum    1 weight  0.10000E+01 volume  0.12998E-02 ppm1      5.275 ppm2      2.707 CV     1
 ASSI { 2121}
   (( segid " 1SG" and resid 76   and name HA  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      2.900     1.000     1.000 peak  2121 spectrum    1 weight  0.10000E+01 volume  0.12957E-02 ppm1      5.017 ppm2      1.434 CV     1
 ASSI { 2125}
   (( segid " 1SG" and resid 73   and name HB2 ))
   (  segid " 1SG" and resid 23   and name HG2%)
      3.000     1.100     1.100 peak  2125 spectrum    1 weight  0.10000E+01 volume  0.12924E-02 ppm1      1.540 ppm2      0.786 CV     1
 ASSI { 2138}
   (( segid " 1SG" and resid 49   and name HA  ))
   (( segid " 1SG" and resid 49   and name HB2 ))
      2.800     1.000     1.000 peak  2138 spectrum    1 weight  0.10000E+01 volume  0.12816E-02 ppm1      3.867 ppm2      1.568 CV     1
 ASSI { 2158}
   (( segid " 1SG" and resid 22   and name HA  ))
   (( segid " 1SG" and resid 22   and name HG12))
      3.500     1.500     1.500 peak  2158 spectrum    1 weight  0.10000E+01 volume  0.12731E-02 ppm1      4.352 ppm2      0.101 CV     1
 ASSI { 2171}
   (( segid " 1SG" and resid 83   and name HA  ))
   (  segid " 1SG" and resid 83   and name HD% )
      2.900     1.100     1.100 peak  2171 spectrum    1 weight  0.10000E+01 volume  0.12646E-02 ppm1      4.623 ppm2      7.128 CV     1
 ASSI { 2173}
   (( segid " 1SG" and resid 48   and name HA  ))
   (( segid " 1SG" and resid 42   and name HA  ))
      3.000     1.100     1.100 peak  2173 spectrum    1 weight  0.10000E+01 volume  0.12618E-02 ppm1      4.223 ppm2      5.804 CV     1
 ASSI { 2183}
   (( segid " 1SG" and resid 77   and name HA  ))
   (( segid " 1SG" and resid 21   and name HB2 ))
      3.200     1.300     1.300 peak  2183 spectrum    1 weight  0.10000E+01 volume  0.12562E-02 ppm1      4.660 ppm2      3.760 CV     1
 ASSI { 2186}
   (( segid " 1SG" and resid 80   and name HG1 ))
   (( segid " 1SG" and resid 106  and name HB  ))
      3.400     3.400     2.600 peak  2186 spectrum    1 weight  0.10000E+01 volume  0.12547E-02 ppm1      2.159 ppm2      1.868 CV     1
 OR { 2186}
   (( segid " 1SG" and resid 80   and name HG2 ))
   (( segid " 1SG" and resid 106  and name HB  ))
 ASSI { 2192}
   (  segid " 1SG" and resid 76   and name HG2%)
   (  segid " 1SG" and resid 83   and name HD% )
      3.100     1.200     1.200 peak  2192 spectrum    1 weight  0.10000E+01 volume  0.12489E-02 ppm1      0.821 ppm2      7.134 CV     1
 ASSI { 2197}
   (( segid " 1SG" and resid 27   and name HD2 ))
   (( segid " 1SG" and resid 9    and name HB2 ))
      2.900     1.100     1.100 peak  2197 spectrum    1 weight  0.10000E+01 volume  0.12461E-02 ppm1      3.125 ppm2      1.911 CV     1
 OR { 2197}
   (( segid " 1SG" and resid 27   and name HD1 ))
   (( segid " 1SG" and resid 9    and name HB2 ))
 ASSI { 2202}
   (  segid " 1SG" and resid 39   and name HG1%)
   (  segid " 1SG" and resid 91   and name HG2%)
      3.300     1.300     1.300 peak  2202 spectrum    1 weight  0.10000E+01 volume  0.12439E-02 ppm1     -0.058 ppm2      0.160 CV     1
 ASSI { 2207}
   (( segid " 1SG" and resid 65   and name HA  ))
   (( segid " 1SG" and resid 68   and name HA  ))
      3.000     1.100     1.100 peak  2207 spectrum    1 weight  0.10000E+01 volume  0.12393E-02 ppm1      3.454 ppm2      3.592 CV     1
 ASSI { 2222}
   (( segid " 1SG" and resid 48   and name HA  ))
   (( segid " 1SG" and resid 48   and name HB2 ))
      3.100     1.200     1.200 peak  2222 spectrum    1 weight  0.10000E+01 volume  0.12273E-02 ppm1      4.212 ppm2      2.933 CV     1
 ASSI { 2227}
   (( segid " 1SG" and resid 104  and name HA  ))
   (( segid " 1SG" and resid 104  and name HG  ))
      3.000     1.100     1.100 peak  2227 spectrum    1 weight  0.10000E+01 volume  0.12234E-02 ppm1      5.435 ppm2      1.354 CV     1
 ASSI { 2241}
   (( segid " 1SG" and resid 27   and name HD2 ))
   (( segid " 1SG" and resid 9    and name HG2 ))
      3.100     1.200     1.200 peak  2241 spectrum    1 weight  0.10000E+01 volume  0.12155E-02 ppm1      3.123 ppm2      2.513 CV     1
 OR { 2241}
   (( segid " 1SG" and resid 27   and name HD1 ))
   (( segid " 1SG" and resid 9    and name HG2 ))
 ASSI { 2243}
   (( segid " 1SG" and resid 28   and name HB  ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      2.800     1.000     1.000 peak  2243 spectrum    1 weight  0.10000E+01 volume  0.12145E-02 ppm1      1.975 ppm2      2.823 CV     1
 ASSI { 2255}
   (  segid " 1SG" and resid 77   and name HG2%)
   (( segid " 1SG" and resid 75   and name HB1 ))
      2.800     1.000     1.000 peak  2255 spectrum    1 weight  0.10000E+01 volume  0.12091E-02 ppm1      1.046 ppm2      2.909 CV     1
 ASSI { 2258}
   (( segid " 1SG" and resid 6    and name HB2 ))
   (  segid " 1SG" and resid 6    and name HD1%)
      3.000     1.100     1.100 peak  2258 spectrum    1 weight  0.10000E+01 volume  0.12078E-02 ppm1      0.963 ppm2      0.668 CV     1
 ASSI { 2270}
   (  segid " 1SG" and resid 23   and name HG2%)
   (  segid " 1SG" and resid 22   and name HD1%)
      3.500     1.600     1.600 peak  2270 spectrum    1 weight  0.10000E+01 volume  0.12004E-02 ppm1      0.784 ppm2      0.496 CV     1
 ASSI { 2271}
   (( segid " 1SG" and resid 76   and name HB  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      3.600     3.600     2.400 peak  2271 spectrum    1 weight  0.10000E+01 volume  0.11998E-02 ppm1      1.936 ppm2      1.428 CV     1
 ASSI { 2279}
   (( segid " 1SG" and resid 13   and name HA  ))
   (( segid " 1SG" and resid 102  and name HB2 ))
      2.900     1.100     1.100 peak  2279 spectrum    1 weight  0.10000E+01 volume  0.11929E-02 ppm1      5.350 ppm2      2.743 CV     1
 ASSI { 2280}
   (( segid " 1SG" and resid 42   and name HA  ))
   (( segid " 1SG" and resid 42   and name HB2 ))
      2.900     1.000     1.000 peak  2280 spectrum    1 weight  0.10000E+01 volume  0.11922E-02 ppm1      5.803 ppm2      2.501 CV     1
 ASSI { 2289}
   (  segid " 1SG" and resid 28   and name HG2%)
   (( segid " 1SG" and resid 37   and name HB2 ))
      3.200     1.200     1.200 peak  2289 spectrum    1 weight  0.10000E+01 volume  0.11865E-02 ppm1      0.647 ppm2      1.378 CV     1
 OR { 2289}
   (  segid " 1SG" and resid 28   and name HG2%)
   (( segid " 1SG" and resid 37   and name HG2 ))
 ASSI { 2293}
   (( segid " 1SG" and resid 31   and name HA  ))
   (( segid " 1SG" and resid 68   and name HG2 ))
      3.300     1.300     1.300 peak  2293 spectrum    1 weight  0.10000E+01 volume  0.11843E-02 ppm1      4.171 ppm2      1.264 CV     1
 OR { 2293}
   (( segid " 1SG" and resid 31   and name HA  ))
   (( segid " 1SG" and resid 68   and name HG1 ))
 ASSI { 2295}
   (  segid " 1SG" and resid 104  and name HD2%)
   (( segid " 1SG" and resid 83   and name HB2 ))
      3.800     1.800     1.800 peak  2295 spectrum    1 weight  0.10000E+01 volume  0.11833E-02 ppm1      0.843 ppm2      3.209 CV     1
 ASSI { 2296}
   (  segid " 1SG" and resid 59   and name HD2%)
   (( segid " 1SG" and resid 41   and name HD1 ))
      3.100     1.200     1.200 peak  2296 spectrum    1 weight  0.10000E+01 volume  0.11816E-02 ppm1      0.713 ppm2      7.136 CV     1
 ASSI { 2301}
   (( segid " 1SG" and resid 91   and name HB  ))
   (  segid " 1SG" and resid 39   and name HG2%)
      3.100     1.200     1.200 peak  2301 spectrum    1 weight  0.10000E+01 volume  0.11786E-02 ppm1      1.137 ppm2     -0.446 CV     1
 ASSI { 2304}
   (  segid " 1SG" and resid 49   and name HD2%)
   (( segid " 1SG" and resid 41   and name HB2 ))
      3.000     1.100     1.100 peak  2304 spectrum    1 weight  0.10000E+01 volume  0.11766E-02 ppm1      1.028 ppm2      3.184 CV     1
 ASSI { 2305}
   (( segid " 1SG" and resid 6    and name HG  ))
   (( segid " 1SG" and resid 96   and name HB2 ))
      3.300     3.300     2.700 peak  2305 spectrum    1 weight  0.10000E+01 volume  0.11758E-02 ppm1      1.340 ppm2      1.586 CV     1
 ASSI { 2309}
   (( segid " 1SG" and resid 51   and name HA  ))
   (( segid " 1SG" and resid 49   and name HA  ))
      3.500     3.500     2.500 peak  2309 spectrum    1 weight  0.10000E+01 volume  0.11736E-02 ppm1      4.570 ppm2      3.884 CV     1
 ASSI { 2310}
   (( segid " 1SG" and resid 70   and name HA  ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      3.200     1.300     1.300 peak  2310 spectrum    1 weight  0.10000E+01 volume  0.11725E-02 ppm1      4.744 ppm2      2.830 CV     1
 ASSI { 2317}
   (( segid " 1SG" and resid 93   and name HB  ))
   (  segid " 1SG" and resid 33   and name HD1%)
      3.100     1.200     1.200 peak  2317 spectrum    1 weight  0.10000E+01 volume  0.11696E-02 ppm1      4.559 ppm2      0.871 CV     1
 OR { 2317}
   (( segid " 1SG" and resid 93   and name HB  ))
   (  segid " 1SG" and resid 33   and name HD2%)
 ASSI { 2323}
   (( segid " 1SG" and resid 1    and name HA  ))
   (( segid " 1SG" and resid 94   and name HG2 ))
      3.500     3.500     2.500 peak  2323 spectrum    1 weight  0.10000E+01 volume  0.11669E-02 ppm1      4.616 ppm2      1.378 CV     1
 OR { 2323}
   (( segid " 1SG" and resid 1    and name HA  ))
   (( segid " 1SG" and resid 94   and name HG1 ))
 ASSI { 2331}
   (  segid " 1SG" and resid 106  and name HG1%)
   (( segid " 1SG" and resid 81   and name HA  ))
      2.900     1.100     1.100 peak  2331 spectrum    1 weight  0.10000E+01 volume  0.11632E-02 ppm1      0.693 ppm2      4.008 CV     1
 ASSI { 2335}
   (( segid " 1SG" and resid 39   and name HA  ))
   (( segid " 1SG" and resid 39   and name HB  ))
      3.000     1.100     1.100 peak  2335 spectrum    1 weight  0.10000E+01 volume  0.11587E-02 ppm1      4.804 ppm2      0.587 CV     1
 ASSI { 2340}
   (( segid " 1SG" and resid 98   and name HA  ))
   (( segid " 1SG" and resid 98   and name HB2 ))
      3.200     1.300     1.300 peak  2340 spectrum    1 weight  0.10000E+01 volume  0.11566E-02 ppm1      4.694 ppm2      2.296 CV     1
 ASSI { 2346}
   (( segid " 1SG" and resid 6    and name HB2 ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.000     1.200     1.200 peak  2346 spectrum    1 weight  0.10000E+01 volume  0.11526E-02 ppm1      0.963 ppm2      0.486 CV     1
 ASSI { 2348}
   (  segid " 1SG" and resid 26   and name HB% )
   (  segid " 1SG" and resid 49   and name HD1%)
      3.600     3.600     2.400 peak  2348 spectrum    1 weight  0.10000E+01 volume  0.11512E-02 ppm1      1.470 ppm2      1.753 CV     1
 ASSI { 2362}
   (( segid " 1SG" and resid 7    and name HA  ))
   (( segid " 1SG" and resid 7    and name HB2 ))
      3.000     1.100     1.100 peak  2362 spectrum    1 weight  0.10000E+01 volume  0.11460E-02 ppm1      4.637 ppm2      2.585 CV     1
 ASSI { 2363}
   (( segid " 1SG" and resid 36   and name HA  ))
   (( segid " 1SG" and resid 36   and name HG2 ))
      3.600     1.600     1.600 peak  2363 spectrum    1 weight  0.10000E+01 volume  0.11453E-02 ppm1      4.009 ppm2      1.986 CV     1
 ASSI { 2366}
   (  segid " 1SG" and resid 59   and name HD1%)
   (( segid " 1SG" and resid 59   and name HA  ))
      3.700     1.700     1.700 peak  2366 spectrum    1 weight  0.10000E+01 volume  0.11440E-02 ppm1      0.860 ppm2      5.189 CV     1
 ASSI { 2373}
   (( segid " 1SG" and resid 98   and name HB2 ))
   (( segid " 1SG" and resid 6    and name HB2 ))
      3.200     1.300     1.300 peak  2373 spectrum    1 weight  0.10000E+01 volume  0.11360E-02 ppm1      2.279 ppm2      0.921 CV     1
 ASSI { 2378}
   (( segid " 1SG" and resid 104  and name HA  ))
   (( segid " 1SG" and resid 104  and name HB2 ))
      2.800     1.000     1.000 peak  2378 spectrum    1 weight  0.10000E+01 volume  0.11336E-02 ppm1      5.436 ppm2      1.226 CV     1
 ASSI { 2379}
   (( segid " 1SG" and resid 13   and name HB2 ))
   (( segid " 1SG" and resid 12   and name HB2 ))
      2.700     2.700     3.300 peak  2379 spectrum    1 weight  0.10000E+01 volume  0.11328E-02 ppm1      2.629 ppm2      1.972 CV     1
 ASSI { 2382}
   (  segid " 1SG" and resid 76   and name HD1%)
   (( segid " 1SG" and resid 76   and name HA  ))
      3.500     1.500     1.500 peak  2382 spectrum    1 weight  0.10000E+01 volume  0.11309E-02 ppm1      0.679 ppm2      5.010 CV     1
 ASSI { 2393}
   (( segid " 1SG" and resid 43   and name HA  ))
   (( segid " 1SG" and resid 43   and name HB2 ))
      2.700     0.900     0.900 peak  2393 spectrum    1 weight  0.10000E+01 volume  0.11255E-02 ppm1      4.124 ppm2      1.220 CV     1
 ASSI { 2398}
   (( segid " 1SG" and resid 23   and name HA  ))
   (( segid " 1SG" and resid 23   and name HB  ))
      3.100     1.200     1.200 peak  2398 spectrum    1 weight  0.10000E+01 volume  0.11238E-02 ppm1      5.126 ppm2      3.573 CV     1
 ASSI { 2402}
   (( segid " 1SG" and resid 101  and name HA  ))
   (( segid " 1SG" and resid 101  and name HB2 ))
      3.100     1.200     1.200 peak  2402 spectrum    1 weight  0.10000E+01 volume  0.11192E-02 ppm1      5.518 ppm2      2.697 CV     1
 ASSI { 2404}
   (  segid " 1SG" and resid 106  and name HG1%)
   (( segid " 1SG" and resid 83   and name HB2 ))
      3.100     1.200     1.200 peak  2404 spectrum    1 weight  0.10000E+01 volume  0.11185E-02 ppm1      0.689 ppm2      3.185 CV     1
 ASSI { 2405}
   (  segid " 1SG" and resid 26   and name HB% )
   (( segid " 1SG" and resid 72   and name HB2 ))
      3.100     1.200     1.200 peak  2405 spectrum    1 weight  0.10000E+01 volume  0.11179E-02 ppm1      1.468 ppm2      2.900 CV     1
 ASSI { 2407}
   (( segid " 1SG" and resid 72   and name HA  ))
   (( segid " 1SG" and resid 62   and name HB2 ))
      2.700     2.700     3.300 peak  2407 spectrum    1 weight  0.10000E+01 volume  0.11177E-02 ppm1      5.378 ppm2      3.773 CV     1
 ASSI { 2415}
   (( segid " 1SG" and resid 43   and name HB2 ))
   (( segid " 1SG" and resid 43   and name HD2 ))
      2.900     1.000     1.000 peak  2415 spectrum    1 weight  0.10000E+01 volume  0.11094E-02 ppm1      1.235 ppm2      1.303 CV     1
 OR { 2415}
   (( segid " 1SG" and resid 43   and name HB2 ))
   (( segid " 1SG" and resid 43   and name HD1 ))
 ASSI { 2419}
   (( segid " 1SG" and resid 68   and name HA  ))
   (( segid " 1SG" and resid 68   and name HD2 ))
      3.400     1.500     1.500 peak  2419 spectrum    1 weight  0.10000E+01 volume  0.11081E-02 ppm1      3.611 ppm2      1.688 CV     1
 OR { 2419}
   (( segid " 1SG" and resid 68   and name HA  ))
   (( segid " 1SG" and resid 68   and name HD1 ))
 ASSI { 2422}
   (( segid " 1SG" and resid 77   and name HB  ))
   (( segid " 1SG" and resid 21   and name HB2 ))
      3.600     1.600     1.600 peak  2422 spectrum    1 weight  0.10000E+01 volume  0.11063E-02 ppm1      4.020 ppm2      3.721 CV     1
 ASSI { 2432}
   (( segid " 1SG" and resid 9    and name HB2 ))
   (( segid " 1SG" and resid 27   and name HB1 ))
      3.200     1.300     1.300 peak  2432 spectrum    1 weight  0.10000E+01 volume  0.10998E-02 ppm1      1.915 ppm2      1.587 CV     1
 OR { 2432}
   (( segid " 1SG" and resid 9    and name HB2 ))
   (( segid " 1SG" and resid 27   and name HB2 ))
 ASSI { 2436}
   (( segid " 1SG" and resid 90   and name HA  ))
   (( segid " 1SG" and resid 90   and name HB2 ))
      3.000     1.100     1.100 peak  2436 spectrum    1 weight  0.10000E+01 volume  0.10967E-02 ppm1      4.768 ppm2      2.030 CV     1
 ASSI { 2444}
   (( segid " 1SG" and resid 39   and name HA  ))
   (  segid " 1SG" and resid 91   and name HG1%)
      3.300     1.400     1.400 peak  2444 spectrum    1 weight  0.10000E+01 volume  0.10898E-02 ppm1      4.810 ppm2      0.189 CV     1
 OR { 2444}
   (( segid " 1SG" and resid 39   and name HA  ))
   (  segid " 1SG" and resid 91   and name HG2%)
 ASSI { 2455}
   (( segid " 1SG" and resid 24   and name HB2 ))
   (  segid " 1SG" and resid 24   and name HD% )
      3.000     1.100     1.100 peak  2455 spectrum    1 weight  0.10000E+01 volume  0.10850E-02 ppm1      2.410 ppm2      6.966 CV     1
 ASSI { 2461}
   (( segid " 1SG" and resid 34   and name HG  ))
   (( segid " 1SG" and resid 34   and name HA  ))
      3.200     1.300     1.300 peak  2461 spectrum    1 weight  0.10000E+01 volume  0.10788E-02 ppm1      0.937 ppm2      4.292 CV     1
 ASSI { 2472}
   (( segid " 1SG" and resid 41   and name HA  ))
   (( segid " 1SG" and resid 41   and name HB2 ))
      3.100     1.200     1.200 peak  2472 spectrum    1 weight  0.10000E+01 volume  0.10726E-02 ppm1      5.478 ppm2      3.157 CV     1
 ASSI { 2478}
   (  segid " 1SG" and resid 49   and name HD2%)
   (( segid " 1SG" and resid 53   and name HN  ))
      3.300     1.300     1.300 peak  2478 spectrum    1 weight  0.10000E+01 volume  0.10655E-02 ppm1      1.042 ppm2      6.757 CV     1
 ASSI { 2484}
   (( segid " 1SG" and resid 103  and name HA  ))
   (( segid " 1SG" and resid 86   and name HA1 ))
      3.900     1.900     1.900 peak  2484 spectrum    1 weight  0.10000E+01 volume  0.10637E-02 ppm1      5.555 ppm2      3.498 CV     1
 ASSI { 2491}
   (( segid " 1SG" and resid 76   and name HA  ))
   (( segid " 1SG" and resid 76   and name HG12))
      2.700     0.900     0.900 peak  2491 spectrum    1 weight  0.10000E+01 volume  0.10599E-02 ppm1      5.014 ppm2      1.107 CV     1
 ASSI { 2498}
   (( segid " 1SG" and resid 69   and name HA  ))
   (( segid " 1SG" and resid 69   and name HB  ))
      3.000     1.100     1.100 peak  2498 spectrum    1 weight  0.10000E+01 volume  0.10533E-02 ppm1      4.599 ppm2      1.771 CV     1
 ASSI { 2500}
   (( segid " 1SG" and resid 3    and name HD2 ))
   (( segid " 1SG" and resid 3    and name HB1 ))
      3.500     1.600     1.600 peak  2500 spectrum    1 weight  0.10000E+01 volume  0.10504E-02 ppm1      3.865 ppm2      2.293 CV     1
 OR { 2500}
   (( segid " 1SG" and resid 3    and name HD1 ))
   (( segid " 1SG" and resid 3    and name HB2 ))
 OR { 2500}
   (( segid " 1SG" and resid 3    and name HD1 ))
   (( segid " 1SG" and resid 3    and name HB1 ))
 OR { 2500}
   (( segid " 1SG" and resid 3    and name HD2 ))
   (( segid " 1SG" and resid 3    and name HB2 ))
 ASSI { 2501}
   (( segid " 1SG" and resid 42   and name HA  ))
   (  segid " 1SG" and resid 49   and name HD1%)
      3.300     1.400     1.400 peak  2501 spectrum    1 weight  0.10000E+01 volume  0.10503E-02 ppm1      5.813 ppm2      1.783 CV     1
 ASSI { 2511}
   (( segid " 1SG" and resid 16   and name HB  ))
   (( segid " 1SG" and resid 22   and name HB  ))
      3.300     1.300     1.300 peak  2511 spectrum    1 weight  0.10000E+01 volume  0.10386E-02 ppm1      1.814 ppm2      1.533 CV     1
 ASSI { 2519}
   (( segid " 1SG" and resid 94   and name HA  ))
   (( segid " 1SG" and resid 94   and name HD1 ))
      3.600     1.600     1.600 peak  2519 spectrum    1 weight  0.10000E+01 volume  0.10358E-02 ppm1      4.053 ppm2      1.701 CV     1
 OR { 2519}
   (( segid " 1SG" and resid 94   and name HA  ))
   (( segid " 1SG" and resid 94   and name HD2 ))
 ASSI { 2523}
   (  segid " 1SG" and resid 53   and name HG2%)
   (( segid " 1SG" and resid 43   and name HB2 ))
      3.300     3.300     2.700 peak  2523 spectrum    1 weight  0.10000E+01 volume  0.10340E-02 ppm1      1.111 ppm2      1.209 CV     1
 OR { 2523}
   (  segid " 1SG" and resid 53   and name HG1%)
   (( segid " 1SG" and resid 43   and name HB2 ))
 ASSI { 2528}
   (( segid " 1SG" and resid 6    and name HA  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.200     1.300     1.300 peak  2528 spectrum    1 weight  0.10000E+01 volume  0.10309E-02 ppm1      4.452 ppm2      0.493 CV     1
 ASSI { 2531}
   (  segid " 1SG" and resid 26   and name HB% )
   (( segid " 1SG" and resid 41   and name HH2 ))
      2.800     2.800     3.200 peak  2531 spectrum    1 weight  0.10000E+01 volume  0.10288E-02 ppm1      1.462 ppm2      6.633 CV     1
 ASSI { 2535}
   (( segid " 1SG" and resid 76   and name HA  ))
   (( segid " 1SG" and resid 76   and name HB  ))
      2.900     1.100     1.100 peak  2535 spectrum    1 weight  0.10000E+01 volume  0.10247E-02 ppm1      5.017 ppm2      1.937 CV     1
 ASSI { 2549}
   (  segid " 1SG" and resid 39   and name HG2%)
   (( segid " 1SG" and resid 37   and name HB2 ))
      2.900     1.100     1.100 peak  2549 spectrum    1 weight  0.10000E+01 volume  0.10172E-02 ppm1     -0.453 ppm2      1.391 CV     1
 ASSI { 2550}
   (( segid " 1SG" and resid 85   and name HA2 ))
   (( segid " 1SG" and resid 44   and name HA2 ))
      3.800     1.800     1.800 peak  2550 spectrum    1 weight  0.10000E+01 volume  0.10170E-02 ppm1      4.537 ppm2      3.813 CV     1
 ASSI { 2580}
   (  segid " 1SG" and resid 59   and name HD1%)
   (( segid " 1SG" and resid 41   and name HD1 ))
      3.000     1.200     1.200 peak  2580 spectrum    1 weight  0.10000E+01 volume  0.99416E-03 ppm1      0.866 ppm2      7.141 CV     1
 ASSI { 2583}
   (  segid " 1SG" and resid 4    and name HG2%)
   (( segid " 1SG" and resid 7    and name HB2 ))
      3.500     3.500     2.500 peak  2583 spectrum    1 weight  0.10000E+01 volume  0.99295E-03 ppm1      0.908 ppm2      2.570 CV     1
 ASSI { 2588}
   (( segid " 1SG" and resid 81   and name HA  ))
   (( segid " 1SG" and resid 80   and name HG1 ))
      3.300     1.400     1.400 peak  2588 spectrum    1 weight  0.10000E+01 volume  0.98867E-03 ppm1      4.001 ppm2      2.191 CV     1
 OR { 2588}
   (( segid " 1SG" and resid 81   and name HA  ))
   (( segid " 1SG" and resid 80   and name HG2 ))
 ASSI { 2591}
   (( segid " 1SG" and resid 43   and name HA  ))
   (( segid " 1SG" and resid 43   and name HG2 ))
      3.400     1.400     1.400 peak  2591 spectrum    1 weight  0.10000E+01 volume  0.98625E-03 ppm1      4.134 ppm2      0.081 CV     1
 ASSI { 2595}
   (( segid " 1SG" and resid 108  and name HA  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.400     1.500     1.500 peak  2595 spectrum    1 weight  0.10000E+01 volume  0.98468E-03 ppm1      4.150 ppm2      0.398 CV     1
 ASSI { 2607}
   (  segid " 1SG" and resid 104  and name HD2%)
   (( segid " 1SG" and resid 104  and name HA  ))
      3.500     1.500     1.500 peak  2607 spectrum    1 weight  0.10000E+01 volume  0.97499E-03 ppm1      0.833 ppm2      5.446 CV     1
 ASSI {   29}
   (  segid " 1SG" and resid 97   and name HD% )
   (  segid " 1SG" and resid 97   and name HE% )
      2.100     0.500     0.500 peak    29 spectrum    1 weight  0.10000E+01 volume  0.76508E-02 ppm1      7.085 ppm2      7.264 CV     1
 ASSI {   35}
   (  segid " 1SG" and resid 42   and name HE% )
   (( segid " 1SG" and resid 42   and name HZ  ))
      2.200     0.600     0.600 peak    35 spectrum    1 weight  0.10000E+01 volume  0.65912E-02 ppm1      7.079 ppm2      7.178 CV     1
 ASSI {   46}
   (  segid " 1SG" and resid 70   and name HD% )
   (( segid " 1SG" and resid 70   and name HB2 ))
      2.000     0.500     0.500 peak    46 spectrum    1 weight  0.10000E+01 volume  0.69520E-02 ppm1      7.029 ppm2      2.797 CV     1
 ASSI {   53}
   (  segid " 1SG" and resid 42   and name HD% )
   (  segid " 1SG" and resid 42   and name HE% )
      2.400     0.700     0.700 peak    53 spectrum    1 weight  0.10000E+01 volume  0.34145E-02 ppm1      6.664 ppm2      7.098 CV     1
 ASSI {   62}
   (  segid " 1SG" and resid 87   and name HE% )
   (  segid " 1SG" and resid 104  and name HD1%)
      2.300     2.300     3.700 peak    62 spectrum    1 weight  0.10000E+01 volume  0.69520E-02 ppm1      6.552 ppm2      0.945 CV     1
 ASSI {   63}
   (  segid " 1SG" and resid 87   and name HE% )
   (( segid " 1SG" and resid 57   and name HG  ))
      2.100     2.100     3.900 peak    63 spectrum    1 weight  0.10000E+01 volume  0.69520E-02 ppm1      6.553 ppm2      0.751 CV     1
 ASSI {   77}
   (  segid " 1SG" and resid 63   and name HE% )
   (  segid " 1SG" and resid 63   and name HD% )
      2.600     0.900     0.900 peak    77 spectrum    1 weight  0.10000E+01 volume  0.19384E-02 ppm1      6.071 ppm2      5.874 CV     1
 ASSI {   87}
   (( segid " 1SG" and resid 46   and name HH2 ))
   (( segid " 1SG" and resid 46   and name HZ2 ))
      2.800     0.900     0.900 peak    87 spectrum    1 weight  0.10000E+01 volume  0.16376E-02 ppm1      7.111 ppm2      7.374 CV     1
 ASSI {   97}
   (  segid " 1SG" and resid 70   and name HE% )
   (  segid " 1SG" and resid 70   and name HD% )
      2.700     0.900     0.900 peak    97 spectrum    1 weight  0.10000E+01 volume  0.13858E-02 ppm1      6.595 ppm2      7.034 CV     1
 ASSI {  104}
   (( segid " 1SG" and resid 46   and name HD1 ))
   (( segid " 1SG" and resid 46   and name HB2 ))
      2.100     2.100     3.900 peak   104 spectrum    1 weight  0.10000E+01 volume  0.69520E-02 ppm1      7.109 ppm2      3.051 CV     1
 ASSI {  109}
   (  segid " 1SG" and resid 87   and name HD% )
   (  segid " 1SG" and resid 87   and name HE% )
      2.600     0.800     0.800 peak   109 spectrum    1 weight  0.10000E+01 volume  0.12400E-02 ppm1      6.767 ppm2      6.573 CV     1
 ASSI {  120}
   (  segid " 1SG" and resid 102  and name HD% )
   (  segid " 1SG" and resid 102  and name HE% )
      2.100     0.500     0.500 peak   120 spectrum    1 weight  0.10000E+01 volume  0.69520E-02 ppm1      6.778 ppm2      7.092 CV     1
 ASSI {  125}
   (( segid " 1SG" and resid 56   and name HE1 ))
   (( segid " 1SG" and resid 57   and name HG  ))
      3.100     1.200     1.200 peak   125 spectrum    1 weight  0.10000E+01 volume  0.10505E-02 ppm1      7.630 ppm2      0.738 CV     1
 ASSI {  180}
   (( segid " 1SG" and resid 75   and name HE1 ))
   (( segid " 1SG" and resid 75   and name HB2 ))
      2.200     2.200     3.800 peak   180 spectrum    1 weight  0.10000E+01 volume  0.68318E-02 ppm1      8.255 ppm2      2.876 CV     1
 OR {  180}
   (( segid " 1SG" and resid 75   and name HE1 ))
   (( segid " 1SG" and resid 75   and name HB1 ))
 ASSI {  185}
   (  segid " 1SG" and resid 70   and name HE% )
   (( segid " 1SG" and resid 28   and name HB  ))
      1.900     1.900     4.100 peak   185 spectrum    1 weight  0.10000E+01 volume  0.68318E-02 ppm1      6.589 ppm2      1.945 CV     1
 ASSI {  187}
   (  segid " 1SG" and resid 24   and name HD% )
   (  segid " 1SG" and resid 24   and name HE% )
      2.100     0.500     0.500 peak   187 spectrum    1 weight  0.10000E+01 volume  0.68318E-02 ppm1      6.951 ppm2      7.189 CV     1
 ASSI {  189}
   (  segid " 1SG" and resid 83   and name HE% )
   (( segid " 1SG" and resid 57   and name HG  ))
      2.300     2.300     3.700 peak   189 spectrum    1 weight  0.10000E+01 volume  0.68318E-02 ppm1      7.258 ppm2      0.724 CV     1
 ASSI {  190}
   (  segid " 1SG" and resid 83   and name HD% )
   (  segid " 1SG" and resid 83   and name HE% )
      2.100     0.500     0.500 peak   190 spectrum    1 weight  0.10000E+01 volume  0.68600E-02 ppm1      7.090 ppm2      7.269 CV     1
 ASSI {  192}
   (  segid " 1SG" and resid 63   and name HE% )
   (( segid " 1SG" and resid 65   and name HG2 ))
      2.100     0.600     0.600 peak   192 spectrum    1 weight  0.10000E+01 volume  0.68595E-02 ppm1      6.071 ppm2      1.670 CV     1
 OR {  192}
   (  segid " 1SG" and resid 63   and name HE% )
   (( segid " 1SG" and resid 65   and name HG1 ))
 ASSI {  195}
   (( segid " 1SG" and resid 41   and name HZ2 ))
   (( segid " 1SG" and resid 41   and name HH2 ))
      2.000     0.500     0.500 peak   195 spectrum    1 weight  0.10000E+01 volume  0.68595E-02 ppm1      7.080 ppm2      6.606 CV     1
 ASSI {    7}
   (( segid " 1SG" and resid 12   and name HE22))
   (( segid " 1SG" and resid 12   and name HE21))
      1.400     0.300     0.800 peak     7 spectrum    1 weight  0.10000E+01 volume  0.56227E-01 ppm1      6.922 ppm2      7.453 CV     1
 ASSI {   15}
   (( segid " 1SG" and resid 103  and name HD21))
   (( segid " 1SG" and resid 103  and name HD22))
      1.600     0.300     0.600 peak    15 spectrum    1 weight  0.10000E+01 volume  0.27549E-01 ppm1      7.722 ppm2      6.746 CV     1
 ASSI {   22}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 58   and name HE22))
      1.600     0.300     0.600 peak    22 spectrum    1 weight  0.10000E+01 volume  0.21708E-01 ppm1      7.438 ppm2      6.684 CV     1
 ASSI {   41}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 107  and name HA  ))
      2.000     0.500     0.500 peak    41 spectrum    1 weight  0.10000E+01 volume  0.15680E-01 ppm1      8.564 ppm2      4.843 CV     1
 ASSI {   45}
   (( segid " 1SG" and resid 80   and name HE22))
   (( segid " 1SG" and resid 80   and name HE21))
      1.700     0.300     0.500 peak    45 spectrum    1 weight  0.10000E+01 volume  0.15128E-01 ppm1      6.645 ppm2      6.985 CV     1
 ASSI {   51}
   (( segid " 1SG" and resid 66   and name HN  ))
   (  segid " 1SG" and resid 66   and name HB% )
      2.200     0.600     0.600 peak    51 spectrum    1 weight  0.10000E+01 volume  0.14022E-01 ppm1      8.106 ppm2      1.408 CV     1
 ASSI {   59}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 46   and name HD1 ))
      2.200     0.600     0.600 peak    59 spectrum    1 weight  0.10000E+01 volume  0.12264E-01 ppm1     10.116 ppm2      7.133 CV     1
 ASSI {   60}
   (( segid " 1SG" and resid 61   and name HN  ))
   (( segid " 1SG" and resid 60   and name HA  ))
      2.200     0.600     0.600 peak    60 spectrum    1 weight  0.10000E+01 volume  0.12046E-01 ppm1      8.180 ppm2      5.068 CV     1
 ASSI {   62}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 38   and name HA  ))
      2.000     0.500     0.500 peak    62 spectrum    1 weight  0.10000E+01 volume  0.11892E-01 ppm1      7.892 ppm2      3.893 CV     1
 ASSI {   64}
   (( segid " 1SG" and resid 17   and name HN  ))
   (( segid " 1SG" and resid 16   and name HA  ))
      2.100     0.600     0.600 peak    64 spectrum    1 weight  0.10000E+01 volume  0.11625E-01 ppm1      7.900 ppm2      4.580 CV     1
 ASSI {   67}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (( segid " 1SG" and resid 41   and name HD1 ))
      2.200     0.600     0.600 peak    67 spectrum    1 weight  0.10000E+01 volume  0.11173E-01 ppm1     10.780 ppm2      7.129 CV     1
 ASSI {   72}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 12   and name HA  ))
      2.100     0.600     0.600 peak    72 spectrum    1 weight  0.10000E+01 volume  0.10210E-01 ppm1      8.312 ppm2      4.679 CV     1
 ASSI {   80}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 95   and name HA  ))
      2.300     0.600     0.600 peak    80 spectrum    1 weight  0.10000E+01 volume  0.95995E-02 ppm1      7.969 ppm2      4.735 CV     1
 ASSI {   81}
   (( segid " 1SG" and resid 53   and name HN  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      2.500     0.800     0.800 peak    81 spectrum    1 weight  0.10000E+01 volume  0.94504E-02 ppm1      6.764 ppm2      1.067 CV     1
 ASSI {   84}
   (( segid " 1SG" and resid 21   and name HN  ))
   (( segid " 1SG" and resid 20   and name HA1 ))
      2.100     0.500     0.500 peak    84 spectrum    1 weight  0.10000E+01 volume  0.88626E-02 ppm1      8.170 ppm2      3.727 CV     1
 ASSI {   85}
   (( segid " 1SG" and resid 79   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      2.200     0.600     0.600 peak    85 spectrum    1 weight  0.10000E+01 volume  0.88262E-02 ppm1      8.974 ppm2      1.174 CV     1
 ASSI {   88}
   (( segid " 1SG" and resid 18   and name HN  ))
   (( segid " 1SG" and resid 17   and name HA  ))
      2.200     0.600     0.600 peak    88 spectrum    1 weight  0.10000E+01 volume  0.86804E-02 ppm1      8.005 ppm2      4.728 CV     1
 ASSI {   95}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 53   and name HA  ))
      2.100     0.600     0.600 peak    95 spectrum    1 weight  0.10000E+01 volume  0.80666E-02 ppm1      9.019 ppm2      4.049 CV     1
 ASSI {  102}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 93   and name HA  ))
      2.700     2.700     3.300 peak   102 spectrum    1 weight  0.10000E+01 volume  0.78817E-02 ppm1      7.511 ppm2      4.762 CV     1
 ASSI {  111}
   (( segid " 1SG" and resid 93   and name HN  ))
   (( segid " 1SG" and resid 92   and name HA  ))
      2.300     0.600     0.600 peak   111 spectrum    1 weight  0.10000E+01 volume  0.74600E-02 ppm1      8.557 ppm2      5.243 CV     1
 ASSI {  112}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 58   and name HA  ))
      2.100     0.600     0.600 peak   112 spectrum    1 weight  0.10000E+01 volume  0.74124E-02 ppm1      8.381 ppm2      4.632 CV     1
 ASSI {  114}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 64   and name HA  ))
      2.200     0.600     0.600 peak   114 spectrum    1 weight  0.10000E+01 volume  0.72211E-02 ppm1      8.306 ppm2      4.576 CV     1
 ASSI {  116}
   (( segid " 1SG" and resid 48   and name HN  ))
   (( segid " 1SG" and resid 47   and name HA  ))
      2.300     0.700     0.700 peak   116 spectrum    1 weight  0.10000E+01 volume  0.71020E-02 ppm1      8.397 ppm2      4.057 CV     1
 ASSI {  117}
   (( segid " 1SG" and resid 21   and name HN  ))
   (( segid " 1SG" and resid 20   and name HA2 ))
      3.000     1.100     1.100 peak   117 spectrum    1 weight  0.10000E+01 volume  0.71013E-02 ppm1      8.169 ppm2      4.378 CV     1
 ASSI {  120}
   (( segid " 1SG" and resid 23   and name HN  ))
   (( segid " 1SG" and resid 22   and name HA  ))
      2.200     0.600     0.600 peak   120 spectrum    1 weight  0.10000E+01 volume  0.70447E-02 ppm1      7.914 ppm2      4.342 CV     1
 ASSI {  122}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 59   and name HA  ))
      2.200     0.600     0.600 peak   122 spectrum    1 weight  0.10000E+01 volume  0.70056E-02 ppm1      8.687 ppm2      5.184 CV     1
 ASSI {  123}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 21   and name HA  ))
      2.100     0.500     0.500 peak   123 spectrum    1 weight  0.10000E+01 volume  0.69529E-02 ppm1      8.888 ppm2      5.491 CV     1
 ASSI {  125}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 57   and name HA  ))
      2.000     0.500     0.500 peak   125 spectrum    1 weight  0.10000E+01 volume  0.69086E-02 ppm1      8.940 ppm2      5.399 CV     1
 ASSI {  126}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 61   and name HA  ))
      2.100     0.600     0.600 peak   126 spectrum    1 weight  0.10000E+01 volume  0.68904E-02 ppm1      8.849 ppm2      5.560 CV     1
 ASSI {  128}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 53   and name HB  ))
      2.300     0.700     0.700 peak   128 spectrum    1 weight  0.10000E+01 volume  0.68240E-02 ppm1      6.764 ppm2      2.128 CV     1
 ASSI {  130}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 4    and name HB  ))
      2.200     0.600     0.600 peak   130 spectrum    1 weight  0.10000E+01 volume  0.67368E-02 ppm1      8.264 ppm2      2.024 CV     1
 ASSI {  133}
   (( segid " 1SG" and resid 77   and name HN  ))
   (( segid " 1SG" and resid 76   and name HA  ))
      2.100     0.600     0.600 peak   133 spectrum    1 weight  0.10000E+01 volume  0.66105E-02 ppm1      8.717 ppm2      4.983 CV     1
 ASSI {  135}
   (( segid " 1SG" and resid 85   and name HN  ))
   (( segid " 1SG" and resid 84   and name HA  ))
      2.400     0.700     0.700 peak   135 spectrum    1 weight  0.10000E+01 volume  0.65682E-02 ppm1      9.407 ppm2      4.227 CV     1
 OR {  135}
   (( segid " 1SG" and resid 85   and name HN  ))
   (( segid " 1SG" and resid 84   and name HB  ))
 ASSI {  137}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 66   and name HA  ))
      2.500     0.800     0.800 peak   137 spectrum    1 weight  0.10000E+01 volume  0.65513E-02 ppm1      8.106 ppm2      4.123 CV     1
 ASSI {  139}
   (( segid " 1SG" and resid 18   and name HN  ))
   (( segid " 1SG" and resid 18   and name HB  ))
      2.500     0.800     0.800 peak   139 spectrum    1 weight  0.10000E+01 volume  0.64176E-02 ppm1      8.005 ppm2      1.919 CV     1
 ASSI {  140}
   (( segid " 1SG" and resid 29   and name HN  ))
   (  segid " 1SG" and resid 29   and name HB% )
      2.500     0.800     0.800 peak   140 spectrum    1 weight  0.10000E+01 volume  0.63548E-02 ppm1      8.854 ppm2      1.508 CV     1
 ASSI {  142}
   (( segid " 1SG" and resid 47   and name HN  ))
   (  segid " 1SG" and resid 47   and name HG1%)
      2.500     0.800     0.800 peak   142 spectrum    1 weight  0.10000E+01 volume  0.63295E-02 ppm1      7.291 ppm2      0.977 CV     1
 ASSI {  145}
   (( segid " 1SG" and resid 18   and name HN  ))
   (  segid " 1SG" and resid 18   and name HG2%)
      2.500     0.800     0.800 peak   145 spectrum    1 weight  0.10000E+01 volume  0.62730E-02 ppm1      8.005 ppm2      0.939 CV     1
 ASSI {  147}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 96   and name HA  ))
      2.300     0.700     0.700 peak   147 spectrum    1 weight  0.10000E+01 volume  0.62399E-02 ppm1      8.065 ppm2      4.772 CV     1
 ASSI {  148}
   (( segid " 1SG" and resid 12   and name HE21))
   (( segid " 1SG" and resid 12   and name HG2 ))
      2.400     0.700     0.700 peak   148 spectrum    1 weight  0.10000E+01 volume  0.62165E-02 ppm1      7.451 ppm2      2.471 CV     1
 OR {  148}
   (( segid " 1SG" and resid 12   and name HE21))
   (( segid " 1SG" and resid 12   and name HG1 ))
 ASSI {  150}
   (( segid " 1SG" and resid 101  and name HD22))
   (( segid " 1SG" and resid 12   and name HE21))
      2.100     2.100     3.900 peak   150 spectrum    1 weight  0.10000E+01 volume  0.61792E-02 ppm1      6.723 ppm2      7.459 CV     1
 ASSI {  152}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 108  and name HB2 ))
      2.400     0.700     0.700 peak   152 spectrum    1 weight  0.10000E+01 volume  0.61535E-02 ppm1      8.564 ppm2      1.911 CV     1
 ASSI {  155}
   (( segid " 1SG" and resid 19   and name HN  ))
   (( segid " 1SG" and resid 18   and name HA  ))
      2.100     0.600     0.600 peak   155 spectrum    1 weight  0.10000E+01 volume  0.60234E-02 ppm1      9.827 ppm2      3.479 CV     1
 ASSI {  156}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 14   and name HA2 ))
      2.200     0.600     0.600 peak   156 spectrum    1 weight  0.10000E+01 volume  0.59878E-02 ppm1      8.504 ppm2      4.931 CV     1
 ASSI {  159}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 78   and name HA  ))
      2.200     0.600     0.600 peak   159 spectrum    1 weight  0.10000E+01 volume  0.58945E-02 ppm1      8.974 ppm2      4.103 CV     1
 ASSI {  160}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 39   and name HA  ))
      2.100     0.600     0.600 peak   160 spectrum    1 weight  0.10000E+01 volume  0.57549E-02 ppm1      8.694 ppm2      4.799 CV     1
 ASSI {  161}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 37   and name HA  ))
      2.300     0.700     0.700 peak   161 spectrum    1 weight  0.10000E+01 volume  0.57157E-02 ppm1      8.374 ppm2      4.490 CV     1
 ASSI {  164}
   (( segid " 1SG" and resid 29   and name HN  ))
   (( segid " 1SG" and resid 28   and name HA  ))
      2.300     0.700     0.700 peak   164 spectrum    1 weight  0.10000E+01 volume  0.56582E-02 ppm1      8.854 ppm2      4.898 CV     1
 ASSI {  166}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 1    and name HA  ))
      2.300     0.700     0.700 peak   166 spectrum    1 weight  0.10000E+01 volume  0.55707E-02 ppm1      8.116 ppm2      4.614 CV     1
 ASSI {  167}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 24   and name HA  ))
      2.500     0.800     0.800 peak   167 spectrum    1 weight  0.10000E+01 volume  0.55272E-02 ppm1      8.399 ppm2      4.620 CV     1
 ASSI {  169}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 40   and name HA  ))
      2.200     0.600     0.600 peak   169 spectrum    1 weight  0.10000E+01 volume  0.55083E-02 ppm1      9.308 ppm2      4.547 CV     1
 ASSI {  170}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 107  and name HB1 ))
      3.100     1.200     1.200 peak   170 spectrum    1 weight  0.10000E+01 volume  0.54709E-02 ppm1      8.564 ppm2      3.074 CV     1
 OR {  170}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 107  and name HB2 ))
 ASSI {  175}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 23   and name HA  ))
      2.300     0.700     0.700 peak   175 spectrum    1 weight  0.10000E+01 volume  0.53626E-02 ppm1      9.240 ppm2      5.100 CV     1
 ASSI {  176}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 91   and name HA  ))
      2.300     0.700     0.700 peak   176 spectrum    1 weight  0.10000E+01 volume  0.53242E-02 ppm1      8.734 ppm2      4.747 CV     1
 ASSI {  177}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 78   and name HA  ))
      2.200     0.600     0.600 peak   177 spectrum    1 weight  0.10000E+01 volume  0.52328E-02 ppm1      8.053 ppm2      4.102 CV     1
 ASSI {  179}
   (( segid " 1SG" and resid 67   and name HN  ))
   (  segid " 1SG" and resid 66   and name HB% )
      2.700     0.900     0.900 peak   179 spectrum    1 weight  0.10000E+01 volume  0.52253E-02 ppm1      7.421 ppm2      1.408 CV     1
 ASSI {  180}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 3    and name HA  ))
      2.400     0.700     0.700 peak   180 spectrum    1 weight  0.10000E+01 volume  0.51770E-02 ppm1      8.264 ppm2      4.443 CV     1
 ASSI {  181}
   (( segid " 1SG" and resid 101  and name HD21))
   (( segid " 1SG" and resid 101  and name HD22))
      2.200     0.600     0.600 peak   181 spectrum    1 weight  0.10000E+01 volume  0.51625E-02 ppm1      7.438 ppm2      6.719 CV     1
 ASSI {  184}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 108  and name HA  ))
      2.600     0.800     0.800 peak   184 spectrum    1 weight  0.10000E+01 volume  0.50535E-02 ppm1      8.564 ppm2      4.141 CV     1
 ASSI {  186}
   (( segid " 1SG" and resid 30   and name HN  ))
   (( segid " 1SG" and resid 29   and name HA  ))
      2.300     0.600     0.600 peak   186 spectrum    1 weight  0.10000E+01 volume  0.50078E-02 ppm1      8.591 ppm2      4.384 CV     1
 ASSI {  189}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 77   and name HA  ))
      2.200     0.600     0.600 peak   189 spectrum    1 weight  0.10000E+01 volume  0.49068E-02 ppm1      8.053 ppm2      4.655 CV     1
 ASSI {  191}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 20   and name HA1 ))
      2.400     0.700     0.700 peak   191 spectrum    1 weight  0.10000E+01 volume  0.48299E-02 ppm1      8.825 ppm2      3.727 CV     1
 ASSI {  192}
   (( segid " 1SG" and resid 68   and name HN  ))
   (( segid " 1SG" and resid 68   and name HA  ))
      2.300     0.700     0.700 peak   192 spectrum    1 weight  0.10000E+01 volume  0.48060E-02 ppm1      7.877 ppm2      3.593 CV     1
 ASSI {  193}
   (( segid " 1SG" and resid 17   and name HN  ))
   (( segid " 1SG" and resid 17   and name HB  ))
      2.600     0.800     0.800 peak   193 spectrum    1 weight  0.10000E+01 volume  0.47930E-02 ppm1      7.899 ppm2      4.062 CV     1
 ASSI {  194}
   (( segid " 1SG" and resid 69   and name HN  ))
   (  segid " 1SG" and resid 69   and name HG1%)
      2.800     1.000     1.000 peak   194 spectrum    1 weight  0.10000E+01 volume  0.47859E-02 ppm1      6.899 ppm2      0.850 CV     1
 OR {  194}
   (( segid " 1SG" and resid 69   and name HN  ))
   (  segid " 1SG" and resid 69   and name HG2%)
 ASSI {  197}
   (( segid " 1SG" and resid 39   and name HN  ))
   (  segid " 1SG" and resid 38   and name HG2%)
      3.600     1.600     1.600 peak   197 spectrum    1 weight  0.10000E+01 volume  0.47364E-02 ppm1      7.892 ppm2      0.789 CV     1
 ASSI {  198}
   (( segid " 1SG" and resid 63   and name HN  ))
   (( segid " 1SG" and resid 62   and name HA  ))
      2.500     0.800     0.800 peak   198 spectrum    1 weight  0.10000E+01 volume  0.46984E-02 ppm1      8.517 ppm2      4.602 CV     1
 ASSI {  199}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 13   and name HA  ))
      2.500     0.800     0.800 peak   199 spectrum    1 weight  0.10000E+01 volume  0.46821E-02 ppm1      9.183 ppm2      5.338 CV     1
 ASSI {  200}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 72   and name HA  ))
      2.300     0.700     0.700 peak   200 spectrum    1 weight  0.10000E+01 volume  0.46594E-02 ppm1      9.450 ppm2      5.366 CV     1
 ASSI {  201}
   (( segid " 1SG" and resid 12   and name HN  ))
   (( segid " 1SG" and resid 11   and name HA  ))
      2.500     0.800     0.800 peak   201 spectrum    1 weight  0.10000E+01 volume  0.46552E-02 ppm1      8.345 ppm2      4.804 CV     1
 ASSI {  202}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 46   and name HZ2 ))
      2.700     0.900     0.900 peak   202 spectrum    1 weight  0.10000E+01 volume  0.46515E-02 ppm1     10.116 ppm2      7.380 CV     1
 ASSI {  203}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 52   and name HN  ))
      2.500     0.800     0.800 peak   203 spectrum    1 weight  0.10000E+01 volume  0.46295E-02 ppm1      6.764 ppm2      7.787 CV     1
 ASSI {  204}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 20   and name HA2 ))
      2.900     1.000     1.000 peak   204 spectrum    1 weight  0.10000E+01 volume  0.46110E-02 ppm1      8.825 ppm2      4.373 CV     1
 ASSI {  206}
   (( segid " 1SG" and resid 26   and name HN  ))
   (( segid " 1SG" and resid 25   and name HA  ))
      2.300     0.700     0.700 peak   206 spectrum    1 weight  0.10000E+01 volume  0.45237E-02 ppm1      9.497 ppm2      5.685 CV     1
 ASSI {  208}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 105  and name HA  ))
      2.400     0.700     0.700 peak   208 spectrum    1 weight  0.10000E+01 volume  0.45056E-02 ppm1      8.151 ppm2      4.533 CV     1
 ASSI {  211}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 14   and name HA1 ))
      3.200     1.300     1.300 peak   211 spectrum    1 weight  0.10000E+01 volume  0.44792E-02 ppm1      8.504 ppm2      3.743 CV     1
 ASSI {  212}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HB2 ))
      2.600     0.900     0.900 peak   212 spectrum    1 weight  0.10000E+01 volume  0.44752E-02 ppm1      8.305 ppm2      1.753 CV     1
 OR {  212}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HB1 ))
 ASSI {  216}
   (( segid " 1SG" and resid 12   and name HE22))
   (( segid " 1SG" and resid 12   and name HG2 ))
      3.200     1.300     1.300 peak   216 spectrum    1 weight  0.10000E+01 volume  0.44366E-02 ppm1      6.922 ppm2      2.472 CV     1
 OR {  216}
   (( segid " 1SG" and resid 12   and name HE22))
   (( segid " 1SG" and resid 12   and name HG1 ))
 ASSI {  219}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 67   and name HN  ))
      2.400     0.700     0.700 peak   219 spectrum    1 weight  0.10000E+01 volume  0.44006E-02 ppm1      8.106 ppm2      7.421 CV     1
 ASSI {  220}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 2    and name HB2 ))
      2.600     0.800     0.800 peak   220 spectrum    1 weight  0.10000E+01 volume  0.43514E-02 ppm1      8.116 ppm2      2.658 CV     1
 ASSI {  221}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 39   and name HB  ))
      2.600     0.800     0.800 peak   221 spectrum    1 weight  0.10000E+01 volume  0.42803E-02 ppm1      7.890 ppm2      0.582 CV     1
 ASSI {  222}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 35   and name HA  ))
      2.500     0.800     0.800 peak   222 spectrum    1 weight  0.10000E+01 volume  0.42482E-02 ppm1      7.511 ppm2      4.664 CV     1
 ASSI {  223}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 74   and name HA  ))
      2.300     0.700     0.700 peak   223 spectrum    1 weight  0.10000E+01 volume  0.42418E-02 ppm1      9.151 ppm2      4.330 CV     1
 ASSI {  228}
   (( segid " 1SG" and resid 15   and name HN  ))
   (  segid " 1SG" and resid 22   and name HD1%)
      3.200     1.300     1.300 peak   228 spectrum    1 weight  0.10000E+01 volume  0.41229E-02 ppm1      8.505 ppm2      0.527 CV     1
 ASSI {  229}
   (( segid " 1SG" and resid 85   and name HN  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      3.000     1.100     1.100 peak   229 spectrum    1 weight  0.10000E+01 volume  0.41104E-02 ppm1      9.407 ppm2      1.494 CV     1
 ASSI {  230}
   (( segid " 1SG" and resid 22   and name HN  ))
   (  segid " 1SG" and resid 22   and name HG2%)
      2.500     0.800     0.800 peak   230 spectrum    1 weight  0.10000E+01 volume  0.40868E-02 ppm1      8.888 ppm2      0.583 CV     1
 ASSI {  231}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 68   and name HN  ))
      2.200     0.600     0.600 peak   231 spectrum    1 weight  0.10000E+01 volume  0.40651E-02 ppm1      7.422 ppm2      7.877 CV     1
 ASSI {  232}
   (( segid " 1SG" and resid 38   and name HN  ))
   (  segid " 1SG" and resid 38   and name HG1%)
      3.400     1.400     1.400 peak   232 spectrum    1 weight  0.10000E+01 volume  0.40608E-02 ppm1      8.373 ppm2      0.842 CV     1
 ASSI {  235}
   (( segid " 1SG" and resid 18   and name HN  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      2.800     0.900     0.900 peak   235 spectrum    1 weight  0.10000E+01 volume  0.40038E-02 ppm1      8.004 ppm2      1.281 CV     1
 ASSI {  236}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 108  and name HG1 ))
      3.600     1.600     1.600 peak   236 spectrum    1 weight  0.10000E+01 volume  0.39966E-02 ppm1      8.564 ppm2      2.233 CV     1
 OR {  236}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 108  and name HG2 ))
 ASSI {  240}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 26   and name HA  ))
      2.500     0.800     0.800 peak   240 spectrum    1 weight  0.10000E+01 volume  0.39030E-02 ppm1      8.891 ppm2      4.916 CV     1
 ASSI {  243}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 47   and name HB  ))
      2.600     0.800     0.800 peak   243 spectrum    1 weight  0.10000E+01 volume  0.38575E-02 ppm1      7.291 ppm2      2.508 CV     1
 ASSI {  244}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 13   and name HB2 ))
      2.900     1.000     1.000 peak   244 spectrum    1 weight  0.10000E+01 volume  0.38516E-02 ppm1      8.312 ppm2      2.683 CV     1
 ASSI {  245}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      2.900     1.000     1.000 peak   245 spectrum    1 weight  0.10000E+01 volume  0.38283E-02 ppm1      7.198 ppm2      1.453 CV     1
 ASSI {  246}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 103  and name HA  ))
      2.400     0.700     0.700 peak   246 spectrum    1 weight  0.10000E+01 volume  0.38275E-02 ppm1      8.793 ppm2      5.542 CV     1
 ASSI {  247}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 98   and name HA  ))
      2.700     0.900     0.900 peak   247 spectrum    1 weight  0.10000E+01 volume  0.38266E-02 ppm1      9.228 ppm2      4.702 CV     1
 ASSI {  248}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 38   and name HB  ))
      2.700     0.900     0.900 peak   248 spectrum    1 weight  0.10000E+01 volume  0.38203E-02 ppm1      8.373 ppm2      1.890 CV     1
 ASSI {  249}
   (( segid " 1SG" and resid 31   and name HN  ))
   (  segid " 1SG" and resid 31   and name HB% )
      2.800     1.000     1.000 peak   249 spectrum    1 weight  0.10000E+01 volume  0.37532E-02 ppm1      8.418 ppm2      1.525 CV     1
 ASSI {  250}
   (( segid " 1SG" and resid 70   and name HN  ))
   (( segid " 1SG" and resid 69   and name HA  ))
      2.500     0.800     0.800 peak   250 spectrum    1 weight  0.10000E+01 volume  0.37507E-02 ppm1      9.273 ppm2      4.579 CV     1
 ASSI {  251}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 84   and name HN  ))
      2.500     0.800     0.800 peak   251 spectrum    1 weight  0.10000E+01 volume  0.37443E-02 ppm1      8.255 ppm2      7.866 CV     1
 ASSI {  253}
   (( segid " 1SG" and resid 10   and name HN  ))
   (( segid " 1SG" and resid 9    and name HA  ))
      2.600     0.800     0.800 peak   253 spectrum    1 weight  0.10000E+01 volume  0.37020E-02 ppm1      8.853 ppm2      4.646 CV     1
 ASSI {  256}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 102  and name HA  ))
      2.500     0.800     0.800 peak   256 spectrum    1 weight  0.10000E+01 volume  0.36753E-02 ppm1      9.243 ppm2      4.989 CV     1
 ASSI {  259}
   (( segid " 1SG" and resid 23   and name HN  ))
   (( segid " 1SG" and resid 23   and name HB  ))
      2.600     0.900     0.900 peak   259 spectrum    1 weight  0.10000E+01 volume  0.35951E-02 ppm1      7.914 ppm2      3.583 CV     1
 ASSI {  265}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 35   and name HG2 ))
      2.500     0.800     0.800 peak   265 spectrum    1 weight  0.10000E+01 volume  0.34815E-02 ppm1      7.511 ppm2      1.348 CV     1
 OR {  265}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 35   and name HG1 ))
 ASSI {  266}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 79   and name HA  ))
      2.600     0.900     0.900 peak   266 spectrum    1 weight  0.10000E+01 volume  0.34399E-02 ppm1      8.973 ppm2      3.661 CV     1
 ASSI {  267}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HG2 ))
      2.900     1.100     1.100 peak   267 spectrum    1 weight  0.10000E+01 volume  0.34284E-02 ppm1      8.306 ppm2      1.685 CV     1
 OR {  267}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HG1 ))
 ASSI {  268}
   (( segid " 1SG" and resid 72   and name HN  ))
   (( segid " 1SG" and resid 71   and name HA  ))
      2.400     0.700     0.700 peak   268 spectrum    1 weight  0.10000E+01 volume  0.34155E-02 ppm1      9.295 ppm2      5.062 CV     1
 ASSI {  269}
   (( segid " 1SG" and resid 17   and name HN  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      3.200     1.300     1.300 peak   269 spectrum    1 weight  0.10000E+01 volume  0.34099E-02 ppm1      7.900 ppm2      1.280 CV     1
 ASSI {  270}
   (( segid " 1SG" and resid 29   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG2%)
      2.600     0.800     0.800 peak   270 spectrum    1 weight  0.10000E+01 volume  0.33988E-02 ppm1      8.855 ppm2      0.945 CV     1
 ASSI {  271}
   (( segid " 1SG" and resid 94   and name HN  ))
   (( segid " 1SG" and resid 93   and name HA  ))
      2.600     0.800     0.800 peak   271 spectrum    1 weight  0.10000E+01 volume  0.33948E-02 ppm1      8.339 ppm2      4.764 CV     1
 ASSI {  272}
   (( segid " 1SG" and resid 93   and name HN  ))
   (( segid " 1SG" and resid 92   and name HB2 ))
      3.500     1.500     1.500 peak   272 spectrum    1 weight  0.10000E+01 volume  0.33837E-02 ppm1      8.558 ppm2      3.937 CV     1
 OR {  272}
   (( segid " 1SG" and resid 93   and name HN  ))
   (( segid " 1SG" and resid 92   and name HB1 ))
 ASSI {  273}
   (( segid " 1SG" and resid 77   and name HN  ))
   (  segid " 1SG" and resid 76   and name HG2%)
      3.100     1.200     1.200 peak   273 spectrum    1 weight  0.10000E+01 volume  0.33122E-02 ppm1      8.717 ppm2      0.785 CV     1
 ASSI {  274}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 95   and name HN  ))
      2.200     0.600     0.600 peak   274 spectrum    1 weight  0.10000E+01 volume  0.32974E-02 ppm1      7.549 ppm2      7.973 CV     1
 ASSI {  275}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB2 ))
      2.600     0.800     0.800 peak   275 spectrum    1 weight  0.10000E+01 volume  0.32861E-02 ppm1      8.381 ppm2      1.692 CV     1
 OR {  275}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB1 ))
 ASSI {  276}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 96   and name HB2 ))
      3.500     3.500     2.500 peak   276 spectrum    1 weight  0.10000E+01 volume  0.32644E-02 ppm1      8.263 ppm2      1.571 CV     1
 ASSI {  278}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 5    and name HN  ))
      2.600     0.800     0.800 peak   278 spectrum    1 weight  0.10000E+01 volume  0.32494E-02 ppm1      8.263 ppm2      8.143 CV     1
 ASSI {  279}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 68   and name HN  ))
      2.600     0.800     0.800 peak   279 spectrum    1 weight  0.10000E+01 volume  0.32404E-02 ppm1      6.899 ppm2      7.876 CV     1
 ASSI {  281}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 104  and name HA  ))
      2.500     0.800     0.800 peak   281 spectrum    1 weight  0.10000E+01 volume  0.32323E-02 ppm1      8.399 ppm2      5.431 CV     1
 ASSI {  285}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 4    and name HA  ))
      2.800     1.000     1.000 peak   285 spectrum    1 weight  0.10000E+01 volume  0.32093E-02 ppm1      8.264 ppm2      4.015 CV     1
 ASSI {  287}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 78   and name HN  ))
      3.100     1.200     1.200 peak   287 spectrum    1 weight  0.10000E+01 volume  0.31519E-02 ppm1      8.974 ppm2      8.055 CV     1
 ASSI {  288}
   (( segid " 1SG" and resid 86   and name HN  ))
   (( segid " 1SG" and resid 85   and name HA2 ))
      2.800     1.000     1.000 peak   288 spectrum    1 weight  0.10000E+01 volume  0.31487E-02 ppm1      7.948 ppm2      4.508 CV     1
 ASSI {  290}
   (( segid " 1SG" and resid 48   and name HN  ))
   (( segid " 1SG" and resid 48   and name HB2 ))
      2.900     1.000     1.000 peak   290 spectrum    1 weight  0.10000E+01 volume  0.31230E-02 ppm1      8.397 ppm2      2.936 CV     1
 ASSI {  291}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 65   and name HB1 ))
      2.900     1.100     1.100 peak   291 spectrum    1 weight  0.10000E+01 volume  0.31207E-02 ppm1      8.106 ppm2      1.756 CV     1
 OR {  291}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 65   and name HB2 ))
 ASSI {  294}
   (( segid " 1SG" and resid 98   and name HN  ))
   (( segid " 1SG" and resid 97   and name HA  ))
      2.700     0.900     0.900 peak   294 spectrum    1 weight  0.10000E+01 volume  0.30796E-02 ppm1      8.417 ppm2      5.247 CV     1
 ASSI {  295}
   (( segid " 1SG" and resid 86   and name HN  ))
   (( segid " 1SG" and resid 85   and name HA1 ))
      2.700     0.900     0.900 peak   295 spectrum    1 weight  0.10000E+01 volume  0.30789E-02 ppm1      7.948 ppm2      3.928 CV     1
 ASSI {  297}
   (( segid " 1SG" and resid 19   and name HN  ))
   (( segid " 1SG" and resid 19   and name HA1 ))
      3.000     1.100     1.100 peak   297 spectrum    1 weight  0.10000E+01 volume  0.30433E-02 ppm1      9.829 ppm2      4.250 CV     1
 ASSI {  298}
   (( segid " 1SG" and resid 19   and name HN  ))
   (  segid " 1SG" and resid 18   and name HG1%)
      3.300     1.400     1.400 peak   298 spectrum    1 weight  0.10000E+01 volume  0.30427E-02 ppm1      9.828 ppm2      0.981 CV     1
 ASSI {  299}
   (( segid " 1SG" and resid 70   and name HN  ))
   (  segid " 1SG" and resid 69   and name HG2%)
      3.100     1.200     1.200 peak   299 spectrum    1 weight  0.10000E+01 volume  0.30105E-02 ppm1      9.273 ppm2      0.839 CV     1
 OR {  299}
   (( segid " 1SG" and resid 70   and name HN  ))
   (  segid " 1SG" and resid 69   and name HG1%)
 ASSI {  300}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 27   and name HA  ))
      2.500     0.800     0.800 peak   300 spectrum    1 weight  0.10000E+01 volume  0.29956E-02 ppm1      9.673 ppm2      5.831 CV     1
 ASSI {  302}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 53   and name HA  ))
      2.400     0.700     0.700 peak   302 spectrum    1 weight  0.10000E+01 volume  0.29934E-02 ppm1      6.765 ppm2      4.049 CV     1
 ASSI {  303}
   (( segid " 1SG" and resid 84   and name HN  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      3.600     1.600     1.600 peak   303 spectrum    1 weight  0.10000E+01 volume  0.29802E-02 ppm1      7.866 ppm2      1.494 CV     1
 ASSI {  304}
   (( segid " 1SG" and resid 30   and name HN  ))
   (  segid " 1SG" and resid 29   and name HB% )
      3.400     1.400     1.400 peak   304 spectrum    1 weight  0.10000E+01 volume  0.29761E-02 ppm1      8.591 ppm2      1.513 CV     1
 ASSI {  305}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 51   and name HN  ))
      2.600     0.900     0.900 peak   305 spectrum    1 weight  0.10000E+01 volume  0.29665E-02 ppm1      7.784 ppm2      7.881 CV     1
 ASSI {  306}
   (( segid " 1SG" and resid 24   and name HN  ))
   (  segid " 1SG" and resid 23   and name HG2%)
      2.800     1.000     1.000 peak   306 spectrum    1 weight  0.10000E+01 volume  0.29559E-02 ppm1      9.240 ppm2      0.769 CV     1
 ASSI {  307}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 34   and name HA  ))
      2.900     1.100     1.100 peak   307 spectrum    1 weight  0.10000E+01 volume  0.29486E-02 ppm1      7.511 ppm2      4.289 CV     1
 ASSI {  308}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 2    and name HA  ))
      2.800     1.000     1.000 peak   308 spectrum    1 weight  0.10000E+01 volume  0.29467E-02 ppm1      8.115 ppm2      4.899 CV     1
 ASSI {  309}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 68   and name HA  ))
      2.800     1.000     1.000 peak   309 spectrum    1 weight  0.10000E+01 volume  0.29462E-02 ppm1      6.899 ppm2      3.593 CV     1
 ASSI {  310}
   (( segid " 1SG" and resid 90   and name HN  ))
   (( segid " 1SG" and resid 89   and name HA  ))
      2.600     0.900     0.900 peak   310 spectrum    1 weight  0.10000E+01 volume  0.29399E-02 ppm1      9.489 ppm2      4.946 CV     1
 ASSI {  311}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (  segid " 1SG" and resid 39   and name HG1%)
      2.800     1.000     1.000 peak   311 spectrum    1 weight  0.10000E+01 volume  0.29397E-02 ppm1     10.780 ppm2     -0.081 CV     1
 ASSI {  312}
   (( segid " 1SG" and resid 93   and name HN  ))
   (( segid " 1SG" and resid 93   and name HA  ))
      2.700     0.900     0.900 peak   312 spectrum    1 weight  0.10000E+01 volume  0.29265E-02 ppm1      8.558 ppm2      4.778 CV     1
 ASSI {  314}
   (( segid " 1SG" and resid 72   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD1%)
      2.900     1.000     1.000 peak   314 spectrum    1 weight  0.10000E+01 volume  0.29024E-02 ppm1      9.295 ppm2      0.842 CV     1
 ASSI {  315}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 67   and name HA  ))
      2.800     1.000     1.000 peak   315 spectrum    1 weight  0.10000E+01 volume  0.28679E-02 ppm1      7.421 ppm2      4.297 CV     1
 ASSI {  316}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 83   and name HA  ))
      2.700     0.900     0.900 peak   316 spectrum    1 weight  0.10000E+01 volume  0.28602E-02 ppm1      8.255 ppm2      4.603 CV     1
 ASSI {  318}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      3.500     1.500     1.500 peak   318 spectrum    1 weight  0.10000E+01 volume  0.28415E-02 ppm1      8.940 ppm2      1.448 CV     1
 ASSI {  319}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 48   and name HA  ))
      2.500     0.800     0.800 peak   319 spectrum    1 weight  0.10000E+01 volume  0.28399E-02 ppm1      9.288 ppm2      4.192 CV     1
 ASSI {  320}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 58   and name HB1 ))
      3.300     1.400     1.400 peak   320 spectrum    1 weight  0.10000E+01 volume  0.28381E-02 ppm1      7.438 ppm2      2.396 CV     1
 OR {  320}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 58   and name HB2 ))
 ASSI {  321}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 73   and name HA  ))
      2.500     0.800     0.800 peak   321 spectrum    1 weight  0.10000E+01 volume  0.28377E-02 ppm1      8.470 ppm2      5.470 CV     1
 ASSI {  322}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 52   and name HA  ))
      2.800     1.000     1.000 peak   322 spectrum    1 weight  0.10000E+01 volume  0.28369E-02 ppm1      7.785 ppm2      4.613 CV     1
 ASSI {  323}
   (( segid " 1SG" and resid 40   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG1%)
      3.100     1.200     1.200 peak   323 spectrum    1 weight  0.10000E+01 volume  0.28015E-02 ppm1      8.694 ppm2     -0.080 CV     1
 ASSI {  324}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 43   and name HA  ))
      2.500     0.800     0.800 peak   324 spectrum    1 weight  0.10000E+01 volume  0.28000E-02 ppm1      8.211 ppm2      4.128 CV     1
 ASSI {  325}
   (( segid " 1SG" and resid 4    and name HN  ))
   (  segid " 1SG" and resid 4    and name HG2%)
      3.600     1.600     1.600 peak   325 spectrum    1 weight  0.10000E+01 volume  0.27888E-02 ppm1      8.264 ppm2      0.922 CV     1
 ASSI {  326}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 83   and name HB2 ))
      2.400     0.700     0.700 peak   326 spectrum    1 weight  0.10000E+01 volume  0.27741E-02 ppm1      8.255 ppm2      3.172 CV     1
 ASSI {  327}
   (( segid " 1SG" and resid 75   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD1%)
      3.200     1.300     1.300 peak   327 spectrum    1 weight  0.10000E+01 volume  0.27594E-02 ppm1      9.151 ppm2      0.400 CV     1
 ASSI {  328}
   (( segid " 1SG" and resid 107  and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.300     1.300     1.300 peak   328 spectrum    1 weight  0.10000E+01 volume  0.27574E-02 ppm1      8.822 ppm2      0.372 CV     1
 ASSI {  329}
   (( segid " 1SG" and resid 64   and name HN  ))
   (( segid " 1SG" and resid 64   and name HB2 ))
      2.800     1.000     1.000 peak   329 spectrum    1 weight  0.10000E+01 volume  0.27571E-02 ppm1      7.752 ppm2      2.335 CV     1
 ASSI {  330}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 5    and name HA2 ))
      3.400     1.400     1.400 peak   330 spectrum    1 weight  0.10000E+01 volume  0.27496E-02 ppm1      8.264 ppm2      3.842 CV     1
 OR {  330}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 5    and name HA1 ))
 ASSI {  332}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 75   and name HB2 ))
      2.800     0.900     0.900 peak   332 spectrum    1 weight  0.10000E+01 volume  0.27134E-02 ppm1      9.150 ppm2      2.889 CV     1
 OR {  332}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 75   and name HB1 ))
 ASSI {  333}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 15   and name HB2 ))
      2.900     1.000     1.000 peak   333 spectrum    1 weight  0.10000E+01 volume  0.27094E-02 ppm1      8.504 ppm2      2.013 CV     1
 OR {  333}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 15   and name HB1 ))
 ASSI {  336}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (  segid " 1SG" and resid 59   and name HD2%)
      2.900     1.100     1.100 peak   336 spectrum    1 weight  0.10000E+01 volume  0.26711E-02 ppm1     10.780 ppm2      0.692 CV     1
 ASSI {  339}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 19   and name HN  ))
      2.600     0.800     0.800 peak   339 spectrum    1 weight  0.10000E+01 volume  0.26504E-02 ppm1      8.825 ppm2      9.828 CV     1
 ASSI {  340}
   (( segid " 1SG" and resid 80   and name HE21))
   (( segid " 1SG" and resid 80   and name HG2 ))
      2.800     1.000     1.000 peak   340 spectrum    1 weight  0.10000E+01 volume  0.26462E-02 ppm1      6.984 ppm2      2.164 CV     1
 OR {  340}
   (( segid " 1SG" and resid 80   and name HE21))
   (( segid " 1SG" and resid 80   and name HG1 ))
 ASSI {  342}
   (( segid " 1SG" and resid 18   and name HN  ))
   (( segid " 1SG" and resid 17   and name HB  ))
      3.100     1.200     1.200 peak   342 spectrum    1 weight  0.10000E+01 volume  0.26394E-02 ppm1      8.006 ppm2      4.061 CV     1
 ASSI {  344}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 107  and name HB2 ))
      2.900     1.000     1.000 peak   344 spectrum    1 weight  0.10000E+01 volume  0.26307E-02 ppm1      8.825 ppm2      3.076 CV     1
 OR {  344}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 107  and name HB1 ))
 ASSI {  346}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HA  ))
      2.800     1.000     1.000 peak   346 spectrum    1 weight  0.10000E+01 volume  0.26190E-02 ppm1      8.305 ppm2      3.450 CV     1
 ASSI {  348}
   (( segid " 1SG" and resid 21   and name HN  ))
   (( segid " 1SG" and resid 20   and name HN  ))
      3.500     1.600     1.600 peak   348 spectrum    1 weight  0.10000E+01 volume  0.26007E-02 ppm1      8.168 ppm2      8.828 CV     1
 ASSI {  350}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 42   and name HA  ))
      2.700     0.900     0.900 peak   350 spectrum    1 weight  0.10000E+01 volume  0.25874E-02 ppm1      8.632 ppm2      5.786 CV     1
 ASSI {  351}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 54   and name HN  ))
      2.700     0.900     0.900 peak   351 spectrum    1 weight  0.10000E+01 volume  0.25727E-02 ppm1      7.198 ppm2      9.022 CV     1
 ASSI {  352}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 15   and name HB1 ))
      3.300     1.400     1.400 peak   352 spectrum    1 weight  0.10000E+01 volume  0.25717E-02 ppm1      8.593 ppm2      2.019 CV     1
 OR {  352}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 15   and name HB2 ))
 ASSI {  353}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 4    and name HG12))
      3.500     1.600     1.600 peak   353 spectrum    1 weight  0.10000E+01 volume  0.25716E-02 ppm1      8.263 ppm2      1.225 CV     1
 ASSI {  354}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 16   and name HA  ))
      2.800     1.000     1.000 peak   354 spectrum    1 weight  0.10000E+01 volume  0.25691E-02 ppm1      8.593 ppm2      4.581 CV     1
 ASSI {  355}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 52   and name HA  ))
      3.200     1.200     1.200 peak   355 spectrum    1 weight  0.10000E+01 volume  0.25676E-02 ppm1      6.764 ppm2      4.611 CV     1
 ASSI {  356}
   (( segid " 1SG" and resid 48   and name HN  ))
   (  segid " 1SG" and resid 47   and name HG2%)
      3.300     1.300     1.300 peak   356 spectrum    1 weight  0.10000E+01 volume  0.25612E-02 ppm1      8.397 ppm2      0.779 CV     1
 ASSI {  357}
   (( segid " 1SG" and resid 23   and name HN  ))
   (( segid " 1SG" and resid 22   and name HG12))
      4.000     2.000     2.000 peak   357 spectrum    1 weight  0.10000E+01 volume  0.25591E-02 ppm1      7.913 ppm2      0.071 CV     1
 ASSI {  358}
   (( segid " 1SG" and resid 39   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG2%)
      2.800     1.000     1.000 peak   358 spectrum    1 weight  0.10000E+01 volume  0.25582E-02 ppm1      7.891 ppm2     -0.459 CV     1
 ASSI {  361}
   (( segid " 1SG" and resid 83   and name HN  ))
   (  segid " 1SG" and resid 82   and name HB% )
      3.100     1.200     1.200 peak   361 spectrum    1 weight  0.10000E+01 volume  0.25289E-02 ppm1      8.256 ppm2      1.312 CV     1
 ASSI {  362}
   (( segid " 1SG" and resid 18   and name HN  ))
   (( segid " 1SG" and resid 18   and name HA  ))
      2.700     0.900     0.900 peak   362 spectrum    1 weight  0.10000E+01 volume  0.25253E-02 ppm1      8.005 ppm2      3.479 CV     1
 ASSI {  363}
   (( segid " 1SG" and resid 47   and name HN  ))
   (  segid " 1SG" and resid 47   and name HG2%)
      2.800     1.000     1.000 peak   363 spectrum    1 weight  0.10000E+01 volume  0.25057E-02 ppm1      7.291 ppm2      0.780 CV     1
 ASSI {  364}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 65   and name HN  ))
      2.700     0.900     0.900 peak   364 spectrum    1 weight  0.10000E+01 volume  0.25011E-02 ppm1      8.106 ppm2      8.306 CV     1
 ASSI {  367}
   (( segid " 1SG" and resid 17   and name HN  ))
   (( segid " 1SG" and resid 16   and name HB  ))
      3.200     1.300     1.300 peak   367 spectrum    1 weight  0.10000E+01 volume  0.24889E-02 ppm1      7.901 ppm2      1.791 CV     1
 ASSI {  368}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 67   and name HB1 ))
      2.900     1.100     1.100 peak   368 spectrum    1 weight  0.10000E+01 volume  0.24866E-02 ppm1      7.421 ppm2      3.728 CV     1
 OR {  368}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 67   and name HB2 ))
 ASSI {  370}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 61   and name HB2 ))
      3.300     1.400     1.400 peak   370 spectrum    1 weight  0.10000E+01 volume  0.24800E-02 ppm1      8.849 ppm2      2.303 CV     1
 ASSI {  371}
   (( segid " 1SG" and resid 92   and name HN  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      3.200     1.300     1.300 peak   371 spectrum    1 weight  0.10000E+01 volume  0.24767E-02 ppm1      8.734 ppm2      0.173 CV     1
 ASSI {  372}
   (( segid " 1SG" and resid 64   and name HN  ))
   (( segid " 1SG" and resid 64   and name HA  ))
      2.800     1.000     1.000 peak   372 spectrum    1 weight  0.10000E+01 volume  0.24738E-02 ppm1      7.752 ppm2      4.579 CV     1
 ASSI {  373}
   (( segid " 1SG" and resid 64   and name HN  ))
   (  segid " 1SG" and resid 63   and name HD% )
      3.200     1.300     1.300 peak   373 spectrum    1 weight  0.10000E+01 volume  0.24646E-02 ppm1      7.752 ppm2      5.902 CV     1
 ASSI {  374}
   (( segid " 1SG" and resid 77   and name HN  ))
   (  segid " 1SG" and resid 77   and name HG2%)
      2.900     1.000     1.000 peak   374 spectrum    1 weight  0.10000E+01 volume  0.24536E-02 ppm1      8.717 ppm2      1.030 CV     1
 ASSI {  376}
   (( segid " 1SG" and resid 42   and name HN  ))
   (( segid " 1SG" and resid 41   and name HA  ))
      2.700     0.900     0.900 peak   376 spectrum    1 weight  0.10000E+01 volume  0.24468E-02 ppm1      9.447 ppm2      5.468 CV     1
 ASSI {  378}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 12   and name HB2 ))
      3.500     1.500     1.500 peak   378 spectrum    1 weight  0.10000E+01 volume  0.24393E-02 ppm1      8.312 ppm2      1.966 CV     1
 ASSI {  379}
   (( segid " 1SG" and resid 58   and name HE22))
   (( segid " 1SG" and resid 58   and name HB1 ))
      3.700     1.700     1.700 peak   379 spectrum    1 weight  0.10000E+01 volume  0.24333E-02 ppm1      6.684 ppm2      2.396 CV     1
 OR {  379}
   (( segid " 1SG" and resid 58   and name HE22))
   (( segid " 1SG" and resid 58   and name HB2 ))
 ASSI {  382}
   (( segid " 1SG" and resid 76   and name HN  ))
   (( segid " 1SG" and resid 76   and name HB  ))
      2.600     0.900     0.900 peak   382 spectrum    1 weight  0.10000E+01 volume  0.24169E-02 ppm1      8.925 ppm2      1.902 CV     1
 ASSI {  383}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 12   and name HG1 ))
      3.500     1.500     1.500 peak   383 spectrum    1 weight  0.10000E+01 volume  0.24141E-02 ppm1      8.312 ppm2      2.471 CV     1
 OR {  383}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 12   and name HG2 ))
 ASSI {  384}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 96   and name HG1 ))
      2.700     0.900     0.900 peak   384 spectrum    1 weight  0.10000E+01 volume  0.24116E-02 ppm1      7.548 ppm2      1.318 CV     1
 OR {  384}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 96   and name HG2 ))
 ASSI {  385}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 50   and name HB2 ))
      2.900     1.100     1.100 peak   385 spectrum    1 weight  0.10000E+01 volume  0.23936E-02 ppm1      8.941 ppm2      4.015 CV     1
 ASSI {  388}
   (( segid " 1SG" and resid 106  and name HN  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      3.600     1.600     1.600 peak   388 spectrum    1 weight  0.10000E+01 volume  0.23874E-02 ppm1      8.150 ppm2      1.495 CV     1
 ASSI {  389}
   (( segid " 1SG" and resid 26   and name HN  ))
   (  segid " 1SG" and resid 26   and name HB% )
      2.800     1.000     1.000 peak   389 spectrum    1 weight  0.10000E+01 volume  0.23849E-02 ppm1      9.497 ppm2      1.455 CV     1
 ASSI {  390}
   (( segid " 1SG" and resid 20   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      3.200     1.300     1.300 peak   390 spectrum    1 weight  0.10000E+01 volume  0.23820E-02 ppm1      8.825 ppm2      1.174 CV     1
 ASSI {  391}
   (( segid " 1SG" and resid 21   and name HN  ))
   (( segid " 1SG" and resid 21   and name HA  ))
      2.600     0.900     0.900 peak   391 spectrum    1 weight  0.10000E+01 volume  0.23786E-02 ppm1      8.169 ppm2      5.493 CV     1
 ASSI {  392}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 59   and name HG  ))
      3.400     1.500     1.500 peak   392 spectrum    1 weight  0.10000E+01 volume  0.23760E-02 ppm1      8.382 ppm2      1.425 CV     1
 ASSI {  393}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 57   and name HA  ))
      2.700     0.900     0.900 peak   393 spectrum    1 weight  0.10000E+01 volume  0.23760E-02 ppm1      7.198 ppm2      5.399 CV     1
 ASSI {  395}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 107  and name HA  ))
      2.800     1.000     1.000 peak   395 spectrum    1 weight  0.10000E+01 volume  0.23682E-02 ppm1      8.825 ppm2      4.841 CV     1
 ASSI {  396}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 53   and name HB  ))
      3.800     1.800     1.800 peak   396 spectrum    1 weight  0.10000E+01 volume  0.23609E-02 ppm1      9.019 ppm2      2.127 CV     1
 ASSI {  397}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 52   and name HG1 ))
      3.600     1.600     1.600 peak   397 spectrum    1 weight  0.10000E+01 volume  0.23597E-02 ppm1      7.786 ppm2      1.324 CV     1
 OR {  397}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 52   and name HG2 ))
 ASSI {  398}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 13   and name HA  ))
      2.800     1.000     1.000 peak   398 spectrum    1 weight  0.10000E+01 volume  0.23579E-02 ppm1      8.312 ppm2      5.337 CV     1
 ASSI {  399}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 44   and name HA1 ))
      2.700     0.900     0.900 peak   399 spectrum    1 weight  0.10000E+01 volume  0.23471E-02 ppm1      8.211 ppm2      3.463 CV     1
 ASSI {  400}
   (( segid " 1SG" and resid 70   and name HN  ))
   (  segid " 1SG" and resid 70   and name HD% )
      3.000     1.100     1.100 peak   400 spectrum    1 weight  0.10000E+01 volume  0.23434E-02 ppm1      9.270 ppm2      7.060 CV     1
 ASSI {  401}
   (( segid " 1SG" and resid 12   and name HN  ))
   (( segid " 1SG" and resid 12   and name HG2 ))
      3.400     1.500     1.500 peak   401 spectrum    1 weight  0.10000E+01 volume  0.23350E-02 ppm1      8.346 ppm2      2.468 CV     1
 OR {  401}
   (( segid " 1SG" and resid 12   and name HN  ))
   (( segid " 1SG" and resid 12   and name HG1 ))
 ASSI {  403}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB2 ))
      3.600     1.700     1.700 peak   403 spectrum    1 weight  0.10000E+01 volume  0.23216E-02 ppm1      8.686 ppm2      1.687 CV     1
 OR {  403}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB1 ))
 ASSI {  404}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 62   and name HA  ))
      2.800     1.000     1.000 peak   404 spectrum    1 weight  0.10000E+01 volume  0.23206E-02 ppm1      8.849 ppm2      4.602 CV     1
 ASSI {  407}
   (( segid " 1SG" and resid 60   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD2%)
      3.200     1.300     1.300 peak   407 spectrum    1 weight  0.10000E+01 volume  0.23045E-02 ppm1      8.689 ppm2      0.691 CV     1
 ASSI {  408}
   (( segid " 1SG" and resid 106  and name HN  ))
   (  segid " 1SG" and resid 106  and name HG1%)
      2.900     1.000     1.000 peak   408 spectrum    1 weight  0.10000E+01 volume  0.22927E-02 ppm1      8.151 ppm2      0.679 CV     1
 ASSI {  409}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 41   and name HD1 ))
      2.800     1.000     1.000 peak   409 spectrum    1 weight  0.10000E+01 volume  0.22821E-02 ppm1      9.308 ppm2      7.130 CV     1
 ASSI {  411}
   (( segid " 1SG" and resid 51   and name HN  ))
   (( segid " 1SG" and resid 51   and name HA  ))
      3.000     1.100     1.100 peak   411 spectrum    1 weight  0.10000E+01 volume  0.22425E-02 ppm1      7.877 ppm2      4.560 CV     1
 ASSI {  413}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 15   and name HG1 ))
      3.100     1.200     1.200 peak   413 spectrum    1 weight  0.10000E+01 volume  0.22347E-02 ppm1      8.506 ppm2      2.277 CV     1
 OR {  413}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 15   and name HG2 ))
 ASSI {  414}
   (( segid " 1SG" and resid 68   and name HN  ))
   (( segid " 1SG" and resid 68   and name HG2 ))
      3.400     1.500     1.500 peak   414 spectrum    1 weight  0.10000E+01 volume  0.22343E-02 ppm1      7.877 ppm2      1.260 CV     1
 OR {  414}
   (( segid " 1SG" and resid 68   and name HN  ))
   (( segid " 1SG" and resid 68   and name HG1 ))
 ASSI {  415}
   (( segid " 1SG" and resid 17   and name HN  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      2.900     1.100     1.100 peak   415 spectrum    1 weight  0.10000E+01 volume  0.22343E-02 ppm1      7.900 ppm2      0.602 CV     1
 ASSI {  416}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 15   and name HA  ))
      2.800     1.000     1.000 peak   416 spectrum    1 weight  0.10000E+01 volume  0.22283E-02 ppm1      8.504 ppm2      5.491 CV     1
 ASSI {  417}
   (( segid " 1SG" and resid 103  and name HD21))
   (( segid " 1SG" and resid 103  and name HB2 ))
      2.800     1.000     1.000 peak   417 spectrum    1 weight  0.10000E+01 volume  0.22256E-02 ppm1      7.721 ppm2      2.502 CV     1
 ASSI {  421}
   (( segid " 1SG" and resid 80   and name HE22))
   (( segid " 1SG" and resid 80   and name HG2 ))
      3.600     1.600     1.600 peak   421 spectrum    1 weight  0.10000E+01 volume  0.22162E-02 ppm1      6.645 ppm2      2.164 CV     1
 OR {  421}
   (( segid " 1SG" and resid 80   and name HE22))
   (( segid " 1SG" and resid 80   and name HG1 ))
 ASSI {  422}
   (( segid " 1SG" and resid 100  and name HN  ))
   (( segid " 1SG" and resid 99   and name HA  ))
      2.700     0.900     0.900 peak   422 spectrum    1 weight  0.10000E+01 volume  0.22060E-02 ppm1      8.896 ppm2      5.700 CV     1
 ASSI {  424}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 38   and name HA  ))
      2.800     1.000     1.000 peak   424 spectrum    1 weight  0.10000E+01 volume  0.21949E-02 ppm1      8.372 ppm2      3.897 CV     1
 ASSI {  425}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 53   and name HB  ))
      3.100     3.100     2.900 peak   425 spectrum    1 weight  0.10000E+01 volume  0.21877E-02 ppm1      7.785 ppm2      2.145 CV     1
 ASSI {  426}
   (( segid " 1SG" and resid 78   and name HN  ))
   (  segid " 1SG" and resid 77   and name HG2%)
      4.000     2.000     2.000 peak   426 spectrum    1 weight  0.10000E+01 volume  0.21873E-02 ppm1      8.054 ppm2      1.025 CV     1
 ASSI {  427}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 103  and name HB2 ))
      2.900     1.000     1.000 peak   427 spectrum    1 weight  0.10000E+01 volume  0.21862E-02 ppm1      9.242 ppm2      2.501 CV     1
 ASSI {  430}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 50   and name HA  ))
      3.000     1.100     1.100 peak   430 spectrum    1 weight  0.10000E+01 volume  0.21617E-02 ppm1      8.940 ppm2      3.956 CV     1
 ASSI {  431}
   (( segid " 1SG" and resid 23   and name HN  ))
   (  segid " 1SG" and resid 22   and name HD1%)
      3.100     1.200     1.200 peak   431 spectrum    1 weight  0.10000E+01 volume  0.21591E-02 ppm1      7.912 ppm2      0.534 CV     1
 ASSI {  432}
   (( segid " 1SG" and resid 30   and name HN  ))
   (( segid " 1SG" and resid 69   and name HA  ))
      2.700     0.900     0.900 peak   432 spectrum    1 weight  0.10000E+01 volume  0.21529E-02 ppm1      8.591 ppm2      4.580 CV     1
 ASSI {  433}
   (( segid " 1SG" and resid 87   and name HN  ))
   (( segid " 1SG" and resid 86   and name HA1 ))
      3.600     1.600     1.600 peak   433 spectrum    1 weight  0.10000E+01 volume  0.21440E-02 ppm1      9.115 ppm2      3.473 CV     1
 ASSI {  434}
   (( segid " 1SG" and resid 61   and name HN  ))
   (( segid " 1SG" and resid 61   and name HA  ))
      2.800     1.000     1.000 peak   434 spectrum    1 weight  0.10000E+01 volume  0.21431E-02 ppm1      8.180 ppm2      5.560 CV     1
 ASSI {  435}
   (( segid " 1SG" and resid 87   and name HN  ))
   (( segid " 1SG" and resid 86   and name HA2 ))
      2.500     0.800     0.800 peak   435 spectrum    1 weight  0.10000E+01 volume  0.21379E-02 ppm1      9.112 ppm2      4.658 CV     1
 ASSI {  437}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 13   and name HA  ))
      2.900     1.100     1.100 peak   437 spectrum    1 weight  0.10000E+01 volume  0.21329E-02 ppm1      9.242 ppm2      5.338 CV     1
 ASSI {  439}
   (( segid " 1SG" and resid 8    and name HN  ))
   (( segid " 1SG" and resid 7    and name HA  ))
      2.700     0.900     0.900 peak   439 spectrum    1 weight  0.10000E+01 volume  0.21284E-02 ppm1      9.052 ppm2      4.631 CV     1
 ASSI {  440}
   (( segid " 1SG" and resid 86   and name HN  ))
   (( segid " 1SG" and resid 86   and name HA2 ))
      2.900     1.000     1.000 peak   440 spectrum    1 weight  0.10000E+01 volume  0.21282E-02 ppm1      7.947 ppm2      4.658 CV     1
 ASSI {  443}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 77   and name HB  ))
      3.100     1.200     1.200 peak   443 spectrum    1 weight  0.10000E+01 volume  0.21036E-02 ppm1      8.053 ppm2      4.009 CV     1
 ASSI {  446}
   (( segid " 1SG" and resid 101  and name HN  ))
   (( segid " 1SG" and resid 100  and name HA  ))
      2.900     1.000     1.000 peak   446 spectrum    1 weight  0.10000E+01 volume  0.20722E-02 ppm1      9.045 ppm2      4.660 CV     1
 ASSI {  448}
   (( segid " 1SG" and resid 63   and name HN  ))
   (( segid " 1SG" and resid 62   and name HB2 ))
      3.300     1.400     1.400 peak   448 spectrum    1 weight  0.10000E+01 volume  0.20714E-02 ppm1      8.516 ppm2      3.810 CV     1
 ASSI {  449}
   (( segid " 1SG" and resid 8    and name HN  ))
   (  segid " 1SG" and resid 8    and name HG2%)
      2.900     1.000     1.000 peak   449 spectrum    1 weight  0.10000E+01 volume  0.20712E-02 ppm1      9.052 ppm2      0.947 CV     1
 OR {  449}
   (( segid " 1SG" and resid 8    and name HN  ))
   (  segid " 1SG" and resid 8    and name HG1%)
 ASSI {  450}
   (( segid " 1SG" and resid 9    and name HN  ))
   (  segid " 1SG" and resid 8    and name HG2%)
      3.700     1.700     1.700 peak   450 spectrum    1 weight  0.10000E+01 volume  0.20584E-02 ppm1      7.890 ppm2      0.950 CV     1
 OR {  450}
   (( segid " 1SG" and resid 9    and name HN  ))
   (  segid " 1SG" and resid 8    and name HG1%)
 ASSI {  453}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 52   and name HB2 ))
      2.800     1.000     1.000 peak   453 spectrum    1 weight  0.10000E+01 volume  0.20390E-02 ppm1      7.785 ppm2      1.718 CV     1
 ASSI {  454}
   (( segid " 1SG" and resid 39   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG1%)
      3.500     1.500     1.500 peak   454 spectrum    1 weight  0.10000E+01 volume  0.20352E-02 ppm1      7.892 ppm2     -0.081 CV     1
 ASSI {  456}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 37   and name HB2 ))
      3.200     1.300     1.300 peak   456 spectrum    1 weight  0.10000E+01 volume  0.20227E-02 ppm1      8.373 ppm2      1.365 CV     1
 OR {  456}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 37   and name HG2 ))
 ASSI {  458}
   (( segid " 1SG" and resid 48   and name HN  ))
   (  segid " 1SG" and resid 47   and name HG1%)
      3.300     1.400     1.400 peak   458 spectrum    1 weight  0.10000E+01 volume  0.20112E-02 ppm1      8.397 ppm2      0.978 CV     1
 ASSI {  460}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 54   and name HA1 ))
      2.800     1.000     1.000 peak   460 spectrum    1 weight  0.10000E+01 volume  0.20035E-02 ppm1      9.019 ppm2      3.910 CV     1
 ASSI {  461}
   (( segid " 1SG" and resid 93   and name HN  ))
   (  segid " 1SG" and resid 93   and name HG2%)
      3.200     1.300     1.300 peak   461 spectrum    1 weight  0.10000E+01 volume  0.19992E-02 ppm1      8.557 ppm2      1.024 CV     1
 ASSI {  463}
   (( segid " 1SG" and resid 84   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG1%)
      3.100     1.200     1.200 peak   463 spectrum    1 weight  0.10000E+01 volume  0.19651E-02 ppm1      7.866 ppm2      0.680 CV     1
 ASSI {  465}
   (( segid " 1SG" and resid 40   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG2%)
      3.800     1.800     1.800 peak   465 spectrum    1 weight  0.10000E+01 volume  0.19589E-02 ppm1      8.695 ppm2     -0.459 CV     1
 ASSI {  466}
   (( segid " 1SG" and resid 24   and name HN  ))
   (  segid " 1SG" and resid 24   and name HD% )
      3.300     1.400     1.400 peak   466 spectrum    1 weight  0.10000E+01 volume  0.19522E-02 ppm1      9.240 ppm2      6.937 CV     1
 ASSI {  468}
   (( segid " 1SG" and resid 83   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG1%)
      2.900     1.000     1.000 peak   468 spectrum    1 weight  0.10000E+01 volume  0.19504E-02 ppm1      8.255 ppm2      0.675 CV     1
 ASSI {  469}
   (( segid " 1SG" and resid 27   and name HN  ))
   (  segid " 1SG" and resid 26   and name HB% )
      3.500     1.500     1.500 peak   469 spectrum    1 weight  0.10000E+01 volume  0.19428E-02 ppm1      8.888 ppm2      1.455 CV     1
 ASSI {  470}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 47   and name HA  ))
      2.800     1.000     1.000 peak   470 spectrum    1 weight  0.10000E+01 volume  0.19397E-02 ppm1      7.291 ppm2      4.058 CV     1
 ASSI {  474}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 21   and name HB2 ))
      2.900     1.100     1.100 peak   474 spectrum    1 weight  0.10000E+01 volume  0.19331E-02 ppm1      8.888 ppm2      3.751 CV     1
 ASSI {  476}
   (( segid " 1SG" and resid 51   and name HN  ))
   (( segid " 1SG" and resid 50   and name HN  ))
      2.900     1.000     1.000 peak   476 spectrum    1 weight  0.10000E+01 volume  0.19265E-02 ppm1      7.880 ppm2      8.943 CV     1
 ASSI {  477}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 18   and name HA  ))
      3.900     1.900     1.900 peak   477 spectrum    1 weight  0.10000E+01 volume  0.19247E-02 ppm1      8.823 ppm2      3.479 CV     1
 ASSI {  479}
   (( segid " 1SG" and resid 76   and name HN  ))
   (  segid " 1SG" and resid 23   and name HG2%)
      3.600     1.600     1.600 peak   479 spectrum    1 weight  0.10000E+01 volume  0.19215E-02 ppm1      8.927 ppm2      0.780 CV     1
 ASSI {  480}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 22   and name HA  ))
      2.800     1.000     1.000 peak   480 spectrum    1 weight  0.10000E+01 volume  0.19114E-02 ppm1      8.888 ppm2      4.342 CV     1
 ASSI {  482}
   (( segid " 1SG" and resid 49   and name HN  ))
   (  segid " 1SG" and resid 49   and name HD1%)
      3.100     1.200     1.200 peak   482 spectrum    1 weight  0.10000E+01 volume  0.19064E-02 ppm1      9.288 ppm2      1.750 CV     1
 ASSI {  483}
   (( segid " 1SG" and resid 30   and name HN  ))
   (( segid " 1SG" and resid 30   and name HA1 ))
      2.800     1.000     1.000 peak   483 spectrum    1 weight  0.10000E+01 volume  0.19001E-02 ppm1      8.591 ppm2      3.945 CV     1
 ASSI {  484}
   (( segid " 1SG" and resid 18   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.100     1.200     1.200 peak   484 spectrum    1 weight  0.10000E+01 volume  0.18810E-02 ppm1      8.006 ppm2      0.372 CV     1
 ASSI {  489}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 97   and name HB2 ))
      3.300     1.400     1.400 peak   489 spectrum    1 weight  0.10000E+01 volume  0.18560E-02 ppm1      8.062 ppm2      2.677 CV     1
 ASSI {  490}
   (( segid " 1SG" and resid 83   and name HN  ))
   (  segid " 1SG" and resid 83   and name HD% )
      3.900     1.900     1.900 peak   490 spectrum    1 weight  0.10000E+01 volume  0.18558E-02 ppm1      8.256 ppm2      7.116 CV     1
 ASSI {  492}
   (( segid " 1SG" and resid 29   and name HN  ))
   (  segid " 1SG" and resid 28   and name HG2%)
      3.800     1.800     1.800 peak   492 spectrum    1 weight  0.10000E+01 volume  0.18509E-02 ppm1      8.854 ppm2      0.635 CV     1
 ASSI {  493}
   (( segid " 1SG" and resid 23   and name HN  ))
   (( segid " 1SG" and resid 22   and name HB  ))
      4.200     2.200     1.800 peak   493 spectrum    1 weight  0.10000E+01 volume  0.18492E-02 ppm1      7.914 ppm2      1.515 CV     1
 ASSI {  495}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 44   and name HA2 ))
      2.900     1.100     1.100 peak   495 spectrum    1 weight  0.10000E+01 volume  0.18392E-02 ppm1      8.211 ppm2      3.816 CV     1
 ASSI {  498}
   (( segid " 1SG" and resid 52   and name HN  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      3.600     1.600     1.600 peak   498 spectrum    1 weight  0.10000E+01 volume  0.18317E-02 ppm1      7.782 ppm2      1.075 CV     1
 ASSI {  500}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 66   and name HA  ))
      3.100     1.200     1.200 peak   500 spectrum    1 weight  0.10000E+01 volume  0.18285E-02 ppm1      7.422 ppm2      4.123 CV     1
 ASSI {  501}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 106  and name HB  ))
      2.900     1.100     1.100 peak   501 spectrum    1 weight  0.10000E+01 volume  0.18258E-02 ppm1      8.151 ppm2      1.850 CV     1
 ASSI {  502}
   (( segid " 1SG" and resid 30   and name HN  ))
   (  segid " 1SG" and resid 69   and name HG1%)
      3.600     1.600     1.600 peak   502 spectrum    1 weight  0.10000E+01 volume  0.18193E-02 ppm1      8.591 ppm2      0.849 CV     1
 OR {  502}
   (( segid " 1SG" and resid 30   and name HN  ))
   (  segid " 1SG" and resid 69   and name HG2%)
 ASSI {  503}
   (( segid " 1SG" and resid 87   and name HN  ))
   (  segid " 1SG" and resid 87   and name HD% )
      2.600     0.900     0.900 peak   503 spectrum    1 weight  0.10000E+01 volume  0.18064E-02 ppm1      9.115 ppm2      6.800 CV     1
 ASSI {  504}
   (( segid " 1SG" and resid 61   and name HN  ))
   (( segid " 1SG" and resid 60   and name HB2 ))
      3.700     1.800     1.800 peak   504 spectrum    1 weight  0.10000E+01 volume  0.17995E-02 ppm1      8.180 ppm2      2.991 CV     1
 ASSI {  506}
   (( segid " 1SG" and resid 82   and name HN  ))
   (  segid " 1SG" and resid 82   and name HB% )
      3.200     1.300     1.300 peak   506 spectrum    1 weight  0.10000E+01 volume  0.17868E-02 ppm1      8.017 ppm2      1.312 CV     1
 ASSI {  508}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 96   and name HB2 ))
      3.700     1.700     1.700 peak   508 spectrum    1 weight  0.10000E+01 volume  0.17794E-02 ppm1      8.059 ppm2      1.560 CV     1
 ASSI {  509}
   (( segid " 1SG" and resid 80   and name HE21))
   (( segid " 1SG" and resid 80   and name HB1 ))
      2.600     0.900     0.900 peak   509 spectrum    1 weight  0.10000E+01 volume  0.17765E-02 ppm1      6.985 ppm2      1.949 CV     1
 OR {  509}
   (( segid " 1SG" and resid 80   and name HE21))
   (( segid " 1SG" and resid 80   and name HB2 ))
 ASSI {  510}
   (( segid " 1SG" and resid 85   and name HN  ))
   (( segid " 1SG" and resid 85   and name HA1 ))
      3.000     1.100     1.100 peak   510 spectrum    1 weight  0.10000E+01 volume  0.17684E-02 ppm1      9.407 ppm2      3.930 CV     1
 ASSI {  511}
   (( segid " 1SG" and resid 12   and name HN  ))
   (( segid " 1SG" and resid 12   and name HB2 ))
      2.900     1.000     1.000 peak   511 spectrum    1 weight  0.10000E+01 volume  0.17593E-02 ppm1      8.347 ppm2      1.969 CV     1
 ASSI {  512}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 102  and name HB2 ))
      3.400     1.400     1.400 peak   512 spectrum    1 weight  0.10000E+01 volume  0.17593E-02 ppm1      9.242 ppm2      2.724 CV     1
 ASSI {  515}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 20   and name HN  ))
      3.100     1.200     1.200 peak   515 spectrum    1 weight  0.10000E+01 volume  0.17531E-02 ppm1      8.972 ppm2      8.828 CV     1
 ASSI {  516}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 8    and name HB  ))
      3.000     1.100     1.100 peak   516 spectrum    1 weight  0.10000E+01 volume  0.17454E-02 ppm1      7.887 ppm2      1.807 CV     1
 ASSI {  518}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 87   and name HA  ))
      2.800     1.000     1.000 peak   518 spectrum    1 weight  0.10000E+01 volume  0.17398E-02 ppm1      9.108 ppm2      4.962 CV     1
 ASSI {  522}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB2 ))
      3.600     1.600     1.600 peak   522 spectrum    1 weight  0.10000E+01 volume  0.17260E-02 ppm1      8.381 ppm2      2.395 CV     1
 OR {  522}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB1 ))
 ASSI {  526}
   (( segid " 1SG" and resid 29   and name HN  ))
   (( segid " 1SG" and resid 29   and name HA  ))
      2.900     1.100     1.100 peak   526 spectrum    1 weight  0.10000E+01 volume  0.16926E-02 ppm1      8.854 ppm2      4.390 CV     1
 ASSI {  530}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 54   and name HA2 ))
      3.300     1.400     1.400 peak   530 spectrum    1 weight  0.10000E+01 volume  0.16742E-02 ppm1      9.019 ppm2      4.291 CV     1
 ASSI {  531}
   (( segid " 1SG" and resid 19   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      3.300     1.300     1.300 peak   531 spectrum    1 weight  0.10000E+01 volume  0.16625E-02 ppm1      9.828 ppm2      1.174 CV     1
 ASSI {  532}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 60   and name HB2 ))
      2.900     1.000     1.000 peak   532 spectrum    1 weight  0.10000E+01 volume  0.16610E-02 ppm1      8.687 ppm2      2.990 CV     1
 ASSI {  533}
   (( segid " 1SG" and resid 5    and name HN  ))
   (( segid " 1SG" and resid 4    and name HB  ))
      2.800     1.000     1.000 peak   533 spectrum    1 weight  0.10000E+01 volume  0.16533E-02 ppm1      8.144 ppm2      2.029 CV     1
 ASSI {  534}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 71   and name HN  ))
      2.900     1.100     1.100 peak   534 spectrum    1 weight  0.10000E+01 volume  0.16519E-02 ppm1      8.848 ppm2      8.722 CV     1
 ASSI {  535}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 105  and name HB  ))
      2.900     1.100     1.100 peak   535 spectrum    1 weight  0.10000E+01 volume  0.16440E-02 ppm1      8.398 ppm2      3.929 CV     1
 ASSI {  537}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 58   and name HA  ))
      2.900     1.000     1.000 peak   537 spectrum    1 weight  0.10000E+01 volume  0.16422E-02 ppm1      8.940 ppm2      4.631 CV     1
 ASSI {  539}
   (( segid " 1SG" and resid 28   and name HN  ))
   (  segid " 1SG" and resid 28   and name HG2%)
      3.100     1.200     1.200 peak   539 spectrum    1 weight  0.10000E+01 volume  0.16365E-02 ppm1      9.673 ppm2      0.631 CV     1
 ASSI {  540}
   (( segid " 1SG" and resid 48   and name HN  ))
   (( segid " 1SG" and resid 48   and name HA  ))
      3.000     1.100     1.100 peak   540 spectrum    1 weight  0.10000E+01 volume  0.16308E-02 ppm1      8.396 ppm2      4.191 CV     1
 ASSI {  541}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 40   and name HB2 ))
      3.500     1.600     1.600 peak   541 spectrum    1 weight  0.10000E+01 volume  0.16295E-02 ppm1      8.694 ppm2      1.340 CV     1
 ASSI {  542}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 59   and name HA  ))
      2.900     1.000     1.000 peak   542 spectrum    1 weight  0.10000E+01 volume  0.16282E-02 ppm1      8.380 ppm2      5.185 CV     1
 ASSI {  544}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 16   and name HN  ))
      3.200     1.300     1.300 peak   544 spectrum    1 weight  0.10000E+01 volume  0.16190E-02 ppm1      8.823 ppm2      8.584 CV     1
 ASSI {  545}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 93   and name HN  ))
      2.900     1.100     1.100 peak   545 spectrum    1 weight  0.10000E+01 volume  0.16178E-02 ppm1      7.548 ppm2      8.557 CV     1
 ASSI {  546}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 71   and name HB2 ))
      3.200     1.300     1.300 peak   546 spectrum    1 weight  0.10000E+01 volume  0.16134E-02 ppm1      8.723 ppm2      1.271 CV     1
 ASSI {  548}
   (( segid " 1SG" and resid 59   and name HN  ))
   (( segid " 1SG" and resid 58   and name HG2 ))
      4.400     2.500     1.600 peak   548 spectrum    1 weight  0.10000E+01 volume  0.16077E-02 ppm1      8.378 ppm2      1.797 CV     1
 ASSI {  549}
   (( segid " 1SG" and resid 91   and name HN  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      3.200     1.300     1.300 peak   549 spectrum    1 weight  0.10000E+01 volume  0.16077E-02 ppm1      8.474 ppm2      0.179 CV     1
 ASSI {  550}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 14   and name HA2 ))
      3.100     1.200     1.200 peak   550 spectrum    1 weight  0.10000E+01 volume  0.16039E-02 ppm1      9.184 ppm2      4.939 CV     1
 ASSI {  551}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 40   and name HB2 ))
      3.400     1.400     1.400 peak   551 spectrum    1 weight  0.10000E+01 volume  0.16009E-02 ppm1      9.309 ppm2      1.344 CV     1
 ASSI {  554}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 88   and name HA  ))
      2.900     1.100     1.100 peak   554 spectrum    1 weight  0.10000E+01 volume  0.15932E-02 ppm1      8.977 ppm2      5.305 CV     1
 ASSI {  555}
   (( segid " 1SG" and resid 59   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD1%)
      4.000     2.000     2.000 peak   555 spectrum    1 weight  0.10000E+01 volume  0.15901E-02 ppm1      8.380 ppm2      0.859 CV     1
 ASSI {  558}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 49   and name HN  ))
      2.900     1.100     1.100 peak   558 spectrum    1 weight  0.10000E+01 volume  0.15762E-02 ppm1      8.941 ppm2      9.293 CV     1
 ASSI {  559}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 47   and name HB  ))
      3.300     1.400     1.400 peak   559 spectrum    1 weight  0.10000E+01 volume  0.15743E-02 ppm1      8.633 ppm2      2.501 CV     1
 ASSI {  560}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 92   and name HB1 ))
      3.200     1.300     1.300 peak   560 spectrum    1 weight  0.10000E+01 volume  0.15696E-02 ppm1      8.734 ppm2      3.936 CV     1
 OR {  560}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 92   and name HB2 ))
 ASSI {  561}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 96   and name HB2 ))
      2.800     0.900     0.900 peak   561 spectrum    1 weight  0.10000E+01 volume  0.15650E-02 ppm1      7.548 ppm2      1.566 CV     1
 ASSI {  563}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 64   and name HA  ))
      3.800     1.800     1.800 peak   563 spectrum    1 weight  0.10000E+01 volume  0.15569E-02 ppm1      8.107 ppm2      4.573 CV     1
 ASSI {  564}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 39   and name HA  ))
      2.900     1.000     1.000 peak   564 spectrum    1 weight  0.10000E+01 volume  0.15544E-02 ppm1      7.892 ppm2      4.799 CV     1
 ASSI {  565}
   (( segid " 1SG" and resid 72   and name HN  ))
   (  segid " 1SG" and resid 72   and name HD% )
      2.800     1.000     1.000 peak   565 spectrum    1 weight  0.10000E+01 volume  0.15534E-02 ppm1      9.296 ppm2      7.306 CV     1
 ASSI {  566}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 14   and name HA1 ))
      3.200     1.300     1.300 peak   566 spectrum    1 weight  0.10000E+01 volume  0.15460E-02 ppm1      9.184 ppm2      3.743 CV     1
 ASSI {  567}
   (( segid " 1SG" and resid 77   and name HN  ))
   (( segid " 1SG" and resid 77   and name HA  ))
      2.800     1.000     1.000 peak   567 spectrum    1 weight  0.10000E+01 volume  0.15458E-02 ppm1      8.715 ppm2      4.655 CV     1
 ASSI {  570}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 87   and name HA  ))
      3.200     1.200     1.200 peak   570 spectrum    1 weight  0.10000E+01 volume  0.15219E-02 ppm1      8.211 ppm2      4.972 CV     1
 ASSI {  571}
   (( segid " 1SG" and resid 30   and name HN  ))
   (( segid " 1SG" and resid 30   and name HA2 ))
      3.100     1.200     1.200 peak   571 spectrum    1 weight  0.10000E+01 volume  0.15202E-02 ppm1      8.590 ppm2      4.673 CV     1
 ASSI {  573}
   (( segid " 1SG" and resid 108  and name HN  ))
   (  segid " 1SG" and resid 18   and name HG2%)
      3.500     1.600     1.600 peak   573 spectrum    1 weight  0.10000E+01 volume  0.15010E-02 ppm1      8.565 ppm2      0.943 CV     1
 ASSI {  574}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 13   and name HB2 ))
      3.100     1.200     1.200 peak   574 spectrum    1 weight  0.10000E+01 volume  0.14997E-02 ppm1      9.184 ppm2      2.684 CV     1
 ASSI {  575}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 75   and name HB2 ))
      3.100     1.200     1.200 peak   575 spectrum    1 weight  0.10000E+01 volume  0.14993E-02 ppm1      8.941 ppm2      2.888 CV     1
 OR {  575}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 75   and name HB1 ))
 ASSI {  576}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 77   and name HA  ))
      3.000     1.100     1.100 peak   576 spectrum    1 weight  0.10000E+01 volume  0.14915E-02 ppm1      8.887 ppm2      4.655 CV     1
 ASSI {  578}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 40   and name HA  ))
      2.900     1.100     1.100 peak   578 spectrum    1 weight  0.10000E+01 volume  0.14910E-02 ppm1      8.696 ppm2      4.547 CV     1
 ASSI {  579}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 65   and name HA  ))
      3.300     1.400     1.400 peak   579 spectrum    1 weight  0.10000E+01 volume  0.14894E-02 ppm1      8.106 ppm2      3.452 CV     1
 ASSI {  581}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 84   and name HA  ))
      3.000     1.200     1.200 peak   581 spectrum    1 weight  0.10000E+01 volume  0.14744E-02 ppm1      8.151 ppm2      4.228 CV     1
 OR {  581}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 84   and name HB  ))
 ASSI {  582}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 56   and name HN  ))
      2.900     1.000     1.000 peak   582 spectrum    1 weight  0.10000E+01 volume  0.14742E-02 ppm1      7.199 ppm2      8.391 CV     1
 ASSI {  585}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HB2 ))
      3.100     1.200     1.200 peak   585 spectrum    1 weight  0.10000E+01 volume  0.14710E-02 ppm1      8.888 ppm2      1.573 CV     1
 OR {  585}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HB1 ))
 ASSI {  586}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 27   and name HN  ))
      3.200     1.200     1.200 peak   586 spectrum    1 weight  0.10000E+01 volume  0.14695E-02 ppm1      7.890 ppm2      8.886 CV     1
 ASSI {  587}
   (( segid " 1SG" and resid 79   and name HN  ))
   (  segid " 1SG" and resid 76   and name HG2%)
      3.300     3.300     2.700 peak   587 spectrum    1 weight  0.10000E+01 volume  0.14651E-02 ppm1      8.974 ppm2      0.787 CV     1
 ASSI {  590}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 53   and name HA  ))
      3.600     1.600     1.600 peak   590 spectrum    1 weight  0.10000E+01 volume  0.14463E-02 ppm1      7.198 ppm2      4.042 CV     1
 ASSI {  592}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 94   and name HA  ))
      3.100     1.200     1.200 peak   592 spectrum    1 weight  0.10000E+01 volume  0.14438E-02 ppm1      7.971 ppm2      4.045 CV     1
 ASSI {  593}
   (( segid " 1SG" and resid 63   and name HN  ))
   (( segid " 1SG" and resid 63   and name HB2 ))
      3.600     1.600     1.600 peak   593 spectrum    1 weight  0.10000E+01 volume  0.14430E-02 ppm1      8.518 ppm2      2.529 CV     1
 ASSI {  595}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 76   and name HB  ))
      3.300     1.400     1.400 peak   595 spectrum    1 weight  0.10000E+01 volume  0.14333E-02 ppm1      8.888 ppm2      1.901 CV     1
 ASSI {  596}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 104  and name HA  ))
      3.100     1.200     1.200 peak   596 spectrum    1 weight  0.10000E+01 volume  0.14317E-02 ppm1      9.184 ppm2      5.418 CV     1
 ASSI {  597}
   (( segid " 1SG" and resid 18   and name HN  ))
   (( segid " 1SG" and resid 108  and name HA  ))
      3.100     1.200     1.200 peak   597 spectrum    1 weight  0.10000E+01 volume  0.14317E-02 ppm1      8.006 ppm2      4.146 CV     1
 ASSI {  599}
   (( segid " 1SG" and resid 80   and name HN  ))
   (( segid " 1SG" and resid 79   and name HA  ))
      3.000     1.100     1.100 peak   599 spectrum    1 weight  0.10000E+01 volume  0.14199E-02 ppm1      5.579 ppm2      3.659 CV     1
 ASSI {  601}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      4.000     2.000     2.000 peak   601 spectrum    1 weight  0.10000E+01 volume  0.14104E-02 ppm1      9.018 ppm2      1.461 CV     1
 ASSI {  602}
   (( segid " 1SG" and resid 71   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD1%)
      3.600     1.700     1.700 peak   602 spectrum    1 weight  0.10000E+01 volume  0.14061E-02 ppm1      8.724 ppm2      0.840 CV     1
 ASSI {  603}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 38   and name HN  ))
      3.000     1.100     1.100 peak   603 spectrum    1 weight  0.10000E+01 volume  0.14031E-02 ppm1      8.735 ppm2      8.378 CV     1
 ASSI {  604}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 46   and name HN  ))
      2.500     2.500     3.500 peak   604 spectrum    1 weight  0.10000E+01 volume  0.14017E-02 ppm1      7.293 ppm2      8.221 CV     1
 ASSI {  608}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 78   and name HB2 ))
      3.300     1.400     1.400 peak   608 spectrum    1 weight  0.10000E+01 volume  0.13890E-02 ppm1      8.054 ppm2      2.374 CV     1
 ASSI {  611}
   (( segid " 1SG" and resid 23   and name HN  ))
   (  segid " 1SG" and resid 23   and name HG2%)
      4.000     2.000     2.000 peak   611 spectrum    1 weight  0.10000E+01 volume  0.13824E-02 ppm1      7.914 ppm2      0.771 CV     1
 ASSI {  612}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 28   and name HB  ))
      3.100     1.200     1.200 peak   612 spectrum    1 weight  0.10000E+01 volume  0.13762E-02 ppm1      9.674 ppm2      1.955 CV     1
 ASSI {  613}
   (( segid " 1SG" and resid 107  and name HN  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      2.700     0.900     0.900 peak   613 spectrum    1 weight  0.10000E+01 volume  0.13745E-02 ppm1      8.823 ppm2      0.606 CV     1
 ASSI {  614}
   (( segid " 1SG" and resid 17   and name HN  ))
   (( segid " 1SG" and resid 18   and name HN  ))
      3.700     1.700     1.700 peak   614 spectrum    1 weight  0.10000E+01 volume  0.13698E-02 ppm1      7.899 ppm2      7.995 CV     1
 ASSI {  620}
   (( segid " 1SG" and resid 107  and name HN  ))
   (  segid " 1SG" and resid 106  and name HG1%)
      3.800     1.800     1.800 peak   620 spectrum    1 weight  0.10000E+01 volume  0.13349E-02 ppm1      8.823 ppm2      0.675 CV     1
 ASSI {  622}
   (( segid " 1SG" and resid 61   and name HN  ))
   (( segid " 1SG" and resid 61   and name HB2 ))
      3.300     1.400     1.400 peak   622 spectrum    1 weight  0.10000E+01 volume  0.13261E-02 ppm1      8.177 ppm2      2.298 CV     1
 ASSI {  623}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 58   and name HG2 ))
      3.400     1.500     1.500 peak   623 spectrum    1 weight  0.10000E+01 volume  0.13257E-02 ppm1      8.941 ppm2      1.805 CV     1
 ASSI {  626}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 92   and name HA  ))
      3.100     1.200     1.200 peak   626 spectrum    1 weight  0.10000E+01 volume  0.13226E-02 ppm1      8.735 ppm2      5.242 CV     1
 ASSI {  627}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 68   and name HN  ))
      3.700     1.800     1.800 peak   627 spectrum    1 weight  0.10000E+01 volume  0.13224E-02 ppm1      8.106 ppm2      7.877 CV     1
 ASSI {  630}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 16   and name HB  ))
      3.400     1.400     1.400 peak   630 spectrum    1 weight  0.10000E+01 volume  0.13093E-02 ppm1      8.594 ppm2      1.795 CV     1
 ASSI {  631}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 97   and name HA  ))
      3.200     1.300     1.300 peak   631 spectrum    1 weight  0.10000E+01 volume  0.13092E-02 ppm1      8.062 ppm2      5.253 CV     1
 ASSI {  632}
   (( segid " 1SG" and resid 58   and name HE22))
   (( segid " 1SG" and resid 76   and name HG12))
      3.900     1.900     1.900 peak   632 spectrum    1 weight  0.10000E+01 volume  0.13080E-02 ppm1      6.684 ppm2      1.101 CV     1
 ASSI {  635}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB1 ))
      3.100     1.200     1.200 peak   635 spectrum    1 weight  0.10000E+01 volume  0.13018E-02 ppm1      8.944 ppm2      2.395 CV     1
 OR {  635}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB2 ))
 ASSI {  636}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 25   and name HB2 ))
      3.300     1.400     1.400 peak   636 spectrum    1 weight  0.10000E+01 volume  0.12967E-02 ppm1      8.404 ppm2      3.599 CV     1
 ASSI {  637}
   (( segid " 1SG" and resid 7    and name HN  ))
   (  segid " 1SG" and resid 7    and name HD% )
      3.300     1.400     1.400 peak   637 spectrum    1 weight  0.10000E+01 volume  0.12931E-02 ppm1      8.878 ppm2      7.307 CV     1
 ASSI {  638}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 75   and name HA  ))
      3.100     1.200     1.200 peak   638 spectrum    1 weight  0.10000E+01 volume  0.12916E-02 ppm1      9.154 ppm2      5.086 CV     1
 ASSI {  642}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 35   and name HD2 ))
      3.500     1.500     1.500 peak   642 spectrum    1 weight  0.10000E+01 volume  0.12809E-02 ppm1      8.373 ppm2      1.622 CV     1
 OR {  642}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 35   and name HD1 ))
 ASSI {  643}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 75   and name HN  ))
      2.900     1.100     1.100 peak   643 spectrum    1 weight  0.10000E+01 volume  0.12799E-02 ppm1      8.939 ppm2      9.154 CV     1
 ASSI {  644}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 19   and name HN  ))
      3.000     1.100     1.100 peak   644 spectrum    1 weight  0.10000E+01 volume  0.12658E-02 ppm1      8.973 ppm2      9.828 CV     1
 ASSI {  645}
   (( segid " 1SG" and resid 59   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD2%)
      4.000     2.000     2.000 peak   645 spectrum    1 weight  0.10000E+01 volume  0.12633E-02 ppm1      8.381 ppm2      0.692 CV     1
 ASSI {  646}
   (( segid " 1SG" and resid 5    and name HN  ))
   (( segid " 1SG" and resid 4    and name HA  ))
      3.500     1.500     1.500 peak   646 spectrum    1 weight  0.10000E+01 volume  0.12606E-02 ppm1      8.144 ppm2      4.009 CV     1
 ASSI {  647}
   (( segid " 1SG" and resid 77   and name HN  ))
   (( segid " 1SG" and resid 57   and name HA  ))
      4.000     2.000     2.000 peak   647 spectrum    1 weight  0.10000E+01 volume  0.12596E-02 ppm1      8.715 ppm2      5.396 CV     1
 ASSI {  649}
   (( segid " 1SG" and resid 80   and name HE22))
   (( segid " 1SG" and resid 80   and name HB1 ))
      4.300     2.300     1.700 peak   649 spectrum    1 weight  0.10000E+01 volume  0.12545E-02 ppm1      6.645 ppm2      1.953 CV     1
 OR {  649}
   (( segid " 1SG" and resid 80   and name HE22))
   (( segid " 1SG" and resid 80   and name HB2 ))
 ASSI {  651}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 94   and name HB2 ))
      3.200     1.300     1.300 peak   651 spectrum    1 weight  0.10000E+01 volume  0.12454E-02 ppm1      7.971 ppm2      1.782 CV     1
 ASSI {  652}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 11   and name HA  ))
      3.400     1.500     1.500 peak   652 spectrum    1 weight  0.10000E+01 volume  0.12402E-02 ppm1      8.398 ppm2      4.795 CV     1
 ASSI {  653}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 64   and name HB2 ))
      3.400     1.500     1.500 peak   653 spectrum    1 weight  0.10000E+01 volume  0.12368E-02 ppm1      6.898 ppm2      2.337 CV     1
 ASSI {  654}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 59   and name HG  ))
      3.900     1.900     1.900 peak   654 spectrum    1 weight  0.10000E+01 volume  0.12353E-02 ppm1      8.699 ppm2      1.425 CV     1
 ASSI {  655}
   (( segid " 1SG" and resid 7    and name HN  ))
   (( segid " 1SG" and resid 6    and name HG  ))
      3.600     1.600     1.600 peak   655 spectrum    1 weight  0.10000E+01 volume  0.12340E-02 ppm1      8.878 ppm2      1.313 CV     1
 ASSI {  656}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 68   and name HA  ))
      4.600     2.600     1.400 peak   656 spectrum    1 weight  0.10000E+01 volume  0.12320E-02 ppm1      7.420 ppm2      3.594 CV     1
 ASSI {  658}
   (( segid " 1SG" and resid 26   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD1%)
      3.200     1.300     1.300 peak   658 spectrum    1 weight  0.10000E+01 volume  0.12311E-02 ppm1      9.497 ppm2      0.841 CV     1
 ASSI {  659}
   (( segid " 1SG" and resid 103  and name HD22))
   (( segid " 1SG" and resid 103  and name HB2 ))
      4.200     2.200     1.800 peak   659 spectrum    1 weight  0.10000E+01 volume  0.12292E-02 ppm1      6.747 ppm2      2.501 CV     1
 ASSI {  660}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 24   and name HB2 ))
      4.200     2.200     1.800 peak   660 spectrum    1 weight  0.10000E+01 volume  0.12286E-02 ppm1      8.399 ppm2      2.394 CV     1
 ASSI {  661}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 45   and name HD2 ))
      3.800     1.800     1.800 peak   661 spectrum    1 weight  0.10000E+01 volume  0.12260E-02 ppm1     10.113 ppm2      1.215 CV     1
 OR {  661}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 45   and name HD1 ))
 ASSI {  662}
   (( segid " 1SG" and resid 34   and name HN  ))
   (( segid " 1SG" and resid 93   and name HA  ))
      4.000     2.000     2.000 peak   662 spectrum    1 weight  0.10000E+01 volume  0.12224E-02 ppm1      8.673 ppm2      4.763 CV     1
 ASSI {  663}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 73   and name HN  ))
      3.100     1.200     1.200 peak   663 spectrum    1 weight  0.10000E+01 volume  0.12202E-02 ppm1      8.686 ppm2      9.449 CV     1
 ASSI {  664}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 61   and name HA  ))
      3.500     1.500     1.500 peak   664 spectrum    1 weight  0.10000E+01 volume  0.12197E-02 ppm1      9.450 ppm2      5.557 CV     1
 ASSI {  665}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 24   and name HA  ))
      3.200     1.200     1.200 peak   665 spectrum    1 weight  0.10000E+01 volume  0.12196E-02 ppm1      9.240 ppm2      4.615 CV     1
 ASSI {  666}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 27   and name HB1 ))
      3.500     1.600     1.600 peak   666 spectrum    1 weight  0.10000E+01 volume  0.12094E-02 ppm1      9.672 ppm2      1.578 CV     1
 OR {  666}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 27   and name HB2 ))
 ASSI {  667}
   (( segid " 1SG" and resid 104  and name HN  ))
   (  segid " 1SG" and resid 87   and name HD% )
      3.500     1.500     1.500 peak   667 spectrum    1 weight  0.10000E+01 volume  0.12085E-02 ppm1      8.792 ppm2      6.806 CV     1
 ASSI {  668}
   (( segid " 1SG" and resid 26   and name HN  ))
   (( segid " 1SG" and resid 25   and name HB2 ))
      3.600     1.600     1.600 peak   668 spectrum    1 weight  0.10000E+01 volume  0.12047E-02 ppm1      9.497 ppm2      3.598 CV     1
 ASSI {  669}
   (( segid " 1SG" and resid 58   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
      3.400     1.400     1.400 peak   669 spectrum    1 weight  0.10000E+01 volume  0.12045E-02 ppm1      8.941 ppm2      0.604 CV     1
 OR {  669}
   (( segid " 1SG" and resid 58   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI {  670}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 3    and name HD2 ))
      3.600     1.600     1.600 peak   670 spectrum    1 weight  0.10000E+01 volume  0.11978E-02 ppm1      8.118 ppm2      3.845 CV     1
 OR {  670}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 3    and name HD1 ))
 ASSI {  672}
   (( segid " 1SG" and resid 38   and name HN  ))
   (( segid " 1SG" and resid 93   and name HA  ))
      3.400     1.400     1.400 peak   672 spectrum    1 weight  0.10000E+01 volume  0.11946E-02 ppm1      8.375 ppm2      4.772 CV     1
 ASSI {  673}
   (( segid " 1SG" and resid 25   and name HN  ))
   (  segid " 1SG" and resid 24   and name HD% )
      3.400     1.400     1.400 peak   673 spectrum    1 weight  0.10000E+01 volume  0.11931E-02 ppm1      8.400 ppm2      6.932 CV     1
 ASSI {  676}
   (( segid " 1SG" and resid 68   and name HN  ))
   (( segid " 1SG" and resid 67   and name HA  ))
      3.500     1.500     1.500 peak   676 spectrum    1 weight  0.10000E+01 volume  0.11876E-02 ppm1      7.874 ppm2      4.297 CV     1
 ASSI {  678}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 107  and name HD2 ))
      3.300     1.300     1.300 peak   678 spectrum    1 weight  0.10000E+01 volume  0.11858E-02 ppm1      8.821 ppm2      6.922 CV     1
 ASSI {  679}
   (( segid " 1SG" and resid 8    and name HN  ))
   (( segid " 1SG" and resid 8    and name HB  ))
      3.100     1.200     1.200 peak   679 spectrum    1 weight  0.10000E+01 volume  0.11829E-02 ppm1      9.052 ppm2      1.821 CV     1
 ASSI {  680}
   (( segid " 1SG" and resid 77   and name HN  ))
   (( segid " 1SG" and resid 77   and name HB  ))
      3.600     1.600     1.600 peak   680 spectrum    1 weight  0.10000E+01 volume  0.11822E-02 ppm1      8.717 ppm2      4.008 CV     1
 ASSI {  681}
   (( segid " 1SG" and resid 23   and name HN  ))
   (( segid " 1SG" and resid 23   and name HA  ))
      3.200     1.200     1.200 peak   681 spectrum    1 weight  0.10000E+01 volume  0.11804E-02 ppm1      7.913 ppm2      5.100 CV     1
 ASSI {  682}
   (( segid " 1SG" and resid 100  and name HN  ))
   (( segid " 1SG" and resid 90   and name HA  ))
      3.700     1.700     1.700 peak   682 spectrum    1 weight  0.10000E+01 volume  0.11792E-02 ppm1      8.897 ppm2      4.788 CV     1
 ASSI {  683}
   (( segid " 1SG" and resid 76   and name HN  ))
   (( segid " 1SG" and resid 75   and name HB1 ))
      3.900     1.900     1.900 peak   683 spectrum    1 weight  0.10000E+01 volume  0.11778E-02 ppm1      8.925 ppm2      2.891 CV     1
 OR {  683}
   (( segid " 1SG" and resid 76   and name HN  ))
   (( segid " 1SG" and resid 75   and name HB2 ))
 ASSI {  684}
   (( segid " 1SG" and resid 102  and name HN  ))
   (( segid " 1SG" and resid 102  and name HA  ))
      3.200     1.200     1.200 peak   684 spectrum    1 weight  0.10000E+01 volume  0.11768E-02 ppm1      8.557 ppm2      4.989 CV     1
 ASSI {  686}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 49   and name HB2 ))
      3.700     1.800     1.800 peak   686 spectrum    1 weight  0.10000E+01 volume  0.11753E-02 ppm1      7.786 ppm2      1.548 CV     1
 ASSI {  690}
   (( segid " 1SG" and resid 64   and name HN  ))
   (( segid " 1SG" and resid 69   and name HN  ))
      3.200     1.300     1.300 peak   690 spectrum    1 weight  0.10000E+01 volume  0.11661E-02 ppm1      7.751 ppm2      6.898 CV     1
 ASSI {  691}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 33   and name HA  ))
      3.900     1.900     1.900 peak   691 spectrum    1 weight  0.10000E+01 volume  0.11654E-02 ppm1      7.509 ppm2      4.450 CV     1
 ASSI {  693}
   (( segid " 1SG" and resid 100  and name HN  ))
   (( segid " 1SG" and resid 100  and name HA  ))
      3.300     1.300     1.300 peak   693 spectrum    1 weight  0.10000E+01 volume  0.11612E-02 ppm1      8.896 ppm2      4.655 CV     1
 ASSI {  694}
   (( segid " 1SG" and resid 74   and name HN  ))
   (  segid " 1SG" and resid 23   and name HG2%)
      3.400     1.500     1.500 peak   694 spectrum    1 weight  0.10000E+01 volume  0.11604E-02 ppm1      8.470 ppm2      0.765 CV     1
 ASSI {  696}
   (( segid " 1SG" and resid 68   and name HN  ))
   (( segid " 1SG" and resid 65   and name HA  ))
      3.200     1.300     1.300 peak   696 spectrum    1 weight  0.10000E+01 volume  0.11551E-02 ppm1      7.878 ppm2      3.451 CV     1
 ASSI {  698}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 45   and name HB2 ))
      3.400     1.400     1.400 peak   698 spectrum    1 weight  0.10000E+01 volume  0.11481E-02 ppm1     10.115 ppm2      0.595 CV     1
 OR {  698}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 45   and name HG2 ))
 ASSI {  699}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 38   and name HB  ))
      3.900     1.900     1.900 peak   699 spectrum    1 weight  0.10000E+01 volume  0.11451E-02 ppm1      7.893 ppm2      1.891 CV     1
 ASSI {  700}
   (( segid " 1SG" and resid 26   and name HN  ))
   (( segid " 1SG" and resid 26   and name HA  ))
      3.200     1.300     1.300 peak   700 spectrum    1 weight  0.10000E+01 volume  0.11425E-02 ppm1      9.494 ppm2      4.916 CV     1
 ASSI {  701}
   (( segid " 1SG" and resid 106  and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.500     1.600     1.600 peak   701 spectrum    1 weight  0.10000E+01 volume  0.11421E-02 ppm1      8.148 ppm2      0.372 CV     1
 ASSI {  702}
   (( segid " 1SG" and resid 50   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD1%)
      3.600     1.600     1.600 peak   702 spectrum    1 weight  0.10000E+01 volume  0.11419E-02 ppm1      8.941 ppm2      0.855 CV     1
 ASSI {  703}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 21   and name HA  ))
      2.800     1.000     1.000 peak   703 spectrum    1 weight  0.10000E+01 volume  0.11419E-02 ppm1      8.053 ppm2      5.494 CV     1
 ASSI {  704}
   (( segid " 1SG" and resid 38   and name HN  ))
   (  segid " 1SG" and resid 93   and name HG2%)
      3.900     1.900     1.900 peak   704 spectrum    1 weight  0.10000E+01 volume  0.11402E-02 ppm1      8.372 ppm2      1.022 CV     1
 ASSI {  706}
   (( segid " 1SG" and resid 87   and name HN  ))
   (( segid " 1SG" and resid 103  and name HA  ))
      3.300     1.400     1.400 peak   706 spectrum    1 weight  0.10000E+01 volume  0.11384E-02 ppm1      9.115 ppm2      5.535 CV     1
 ASSI {  707}
   (( segid " 1SG" and resid 33   and name HN  ))
   (( segid " 1SG" and resid 33   and name HB2 ))
      3.500     1.600     1.600 peak   707 spectrum    1 weight  0.10000E+01 volume  0.11363E-02 ppm1      7.611 ppm2      1.718 CV     1
 ASSI {  708}
   (( segid " 1SG" and resid 71   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD2%)
      4.300     2.300     1.700 peak   708 spectrum    1 weight  0.10000E+01 volume  0.11350E-02 ppm1      8.723 ppm2      0.733 CV     1
 ASSI {  709}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 27   and name HB2 ))
      3.300     1.400     1.400 peak   709 spectrum    1 weight  0.10000E+01 volume  0.11343E-02 ppm1      7.888 ppm2      1.570 CV     1
 OR {  709}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 27   and name HB1 ))
 ASSI {  710}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 72   and name HA  ))
      3.500     1.600     1.600 peak   710 spectrum    1 weight  0.10000E+01 volume  0.11316E-02 ppm1      8.849 ppm2      5.367 CV     1
 ASSI {  711}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 24   and name HB2 ))
      3.100     1.200     1.200 peak   711 spectrum    1 weight  0.10000E+01 volume  0.11304E-02 ppm1      9.240 ppm2      2.394 CV     1
 ASSI {  712}
   (( segid " 1SG" and resid 19   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.900     1.900     1.900 peak   712 spectrum    1 weight  0.10000E+01 volume  0.11286E-02 ppm1      9.827 ppm2      0.372 CV     1
 ASSI {  713}
   (( segid " 1SG" and resid 72   and name HN  ))
   (( segid " 1SG" and resid 72   and name HB2 ))
      2.900     1.100     1.100 peak   713 spectrum    1 weight  0.10000E+01 volume  0.11275E-02 ppm1      9.295 ppm2      2.892 CV     1
 ASSI {  715}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 49   and name HA  ))
      3.300     1.400     1.400 peak   715 spectrum    1 weight  0.10000E+01 volume  0.11270E-02 ppm1      8.940 ppm2      3.867 CV     1
 ASSI {  716}
   (( segid " 1SG" and resid 42   and name HN  ))
   (  segid " 1SG" and resid 42   and name HD% )
      4.000     2.000     2.000 peak   716 spectrum    1 weight  0.10000E+01 volume  0.11267E-02 ppm1      9.448 ppm2      6.695 CV     1
 ASSI {  718}
   (( segid " 1SG" and resid 85   and name HN  ))
   (( segid " 1SG" and resid 104  and name HN  ))
      3.300     1.300     1.300 peak   718 spectrum    1 weight  0.10000E+01 volume  0.11238E-02 ppm1      9.408 ppm2      8.792 CV     1
 ASSI {  720}
   (( segid " 1SG" and resid 54   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
      3.800     1.800     1.800 peak   720 spectrum    1 weight  0.10000E+01 volume  0.11166E-02 ppm1      9.023 ppm2      0.598 CV     1
 OR {  720}
   (( segid " 1SG" and resid 54   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI {  725}
   (( segid " 1SG" and resid 74   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD2%)
      3.300     1.400     1.400 peak   725 spectrum    1 weight  0.10000E+01 volume  0.11131E-02 ppm1      8.471 ppm2      0.409 CV     1
 OR {  725}
   (( segid " 1SG" and resid 74   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI {  728}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (  segid " 1SG" and resid 72   and name HD% )
      3.400     1.400     1.400 peak   728 spectrum    1 weight  0.10000E+01 volume  0.11023E-02 ppm1     10.780 ppm2      7.306 CV     1
 ASSI {  729}
   (( segid " 1SG" and resid 44   and name HN  ))
   (  segid " 1SG" and resid 47   and name HG1%)
      3.600     1.600     1.600 peak   729 spectrum    1 weight  0.10000E+01 volume  0.10986E-02 ppm1      8.212 ppm2      0.992 CV     1
 ASSI {  730}
   (( segid " 1SG" and resid 108  and name HN  ))
   (( segid " 1SG" and resid 107  and name HN  ))
      3.800     1.800     1.800 peak   730 spectrum    1 weight  0.10000E+01 volume  0.10955E-02 ppm1      8.563 ppm2      8.822 CV     1
 ASSI {  731}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (  segid " 1SG" and resid 59   and name HD1%)
      3.600     1.600     1.600 peak   731 spectrum    1 weight  0.10000E+01 volume  0.10949E-02 ppm1     10.780 ppm2      0.855 CV     1
 ASSI {  732}
   (( segid " 1SG" and resid 6    and name HN  ))
   (( segid " 1SG" and resid 7    and name HN  ))
      3.200     1.300     1.300 peak   732 spectrum    1 weight  0.10000E+01 volume  0.10934E-02 ppm1      8.450 ppm2      8.878 CV     1
 ASSI {  733}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 103  and name HB2 ))
      3.600     1.600     1.600 peak   733 spectrum    1 weight  0.10000E+01 volume  0.10924E-02 ppm1      8.794 ppm2      2.502 CV     1
 ASSI {  734}
   (( segid " 1SG" and resid 49   and name HN  ))
   (  segid " 1SG" and resid 49   and name HD2%)
      4.200     2.200     1.800 peak   734 spectrum    1 weight  0.10000E+01 volume  0.10854E-02 ppm1      9.288 ppm2      1.014 CV     1
 ASSI {  735}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (( segid " 1SG" and resid 72   and name HB2 ))
      3.300     1.400     1.400 peak   735 spectrum    1 weight  0.10000E+01 volume  0.10849E-02 ppm1     10.779 ppm2      2.895 CV     1
 ASSI {  736}
   (( segid " 1SG" and resid 19   and name HN  ))
   (( segid " 1SG" and resid 18   and name HB  ))
      4.100     2.100     1.900 peak   736 spectrum    1 weight  0.10000E+01 volume  0.10834E-02 ppm1      9.827 ppm2      1.919 CV     1
 ASSI {  737}
   (( segid " 1SG" and resid 63   and name HN  ))
   (  segid " 1SG" and resid 63   and name HD% )
      3.400     1.400     1.400 peak   737 spectrum    1 weight  0.10000E+01 volume  0.10788E-02 ppm1      8.518 ppm2      5.900 CV     1
 ASSI {  742}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 15   and name HG2 ))
      4.300     2.400     1.700 peak   742 spectrum    1 weight  0.10000E+01 volume  0.10702E-02 ppm1      8.593 ppm2      2.271 CV     1
 OR {  742}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 15   and name HG1 ))
 ASSI {  745}
   (( segid " 1SG" and resid 53   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
      3.600     1.600     1.600 peak   745 spectrum    1 weight  0.10000E+01 volume  0.10598E-02 ppm1      6.764 ppm2      0.597 CV     1
 OR {  745}
   (( segid " 1SG" and resid 53   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI {  746}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 3    and name HB1 ))
      4.200     2.200     1.800 peak   746 spectrum    1 weight  0.10000E+01 volume  0.10593E-02 ppm1      8.263 ppm2      2.285 CV     1
 OR {  746}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 3    and name HB2 ))
 ASSI {  747}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 49   and name HA  ))
      3.300     1.300     1.300 peak   747 spectrum    1 weight  0.10000E+01 volume  0.10585E-02 ppm1      7.785 ppm2      3.862 CV     1
 ASSI {  748}
   (( segid " 1SG" and resid 73   and name HN  ))
   (  segid " 1SG" and resid 72   and name HD% )
      2.800     2.800     3.200 peak   748 spectrum    1 weight  0.10000E+01 volume  0.10584E-02 ppm1      9.449 ppm2      7.306 CV     1
 ASSI {  751}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 18   and name HN  ))
      3.600     1.700     1.700 peak   751 spectrum    1 weight  0.10000E+01 volume  0.10547E-02 ppm1      8.821 ppm2      8.005 CV     1
 ASSI {  753}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 25   and name HA  ))
      3.100     1.200     1.200 peak   753 spectrum    1 weight  0.10000E+01 volume  0.10509E-02 ppm1      8.399 ppm2      5.688 CV     1
 ASSI {  754}
   (( segid " 1SG" and resid 31   and name HN  ))
   (( segid " 1SG" and resid 31   and name HA  ))
      3.000     1.100     1.100 peak   754 spectrum    1 weight  0.10000E+01 volume  0.10506E-02 ppm1      8.418 ppm2      4.164 CV     1
 ASSI {  755}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 22   and name HB  ))
      3.500     1.500     1.500 peak   755 spectrum    1 weight  0.10000E+01 volume  0.10496E-02 ppm1      8.887 ppm2      1.514 CV     1
 ASSI {  758}
   (( segid " 1SG" and resid 57   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
      3.900     1.900     1.900 peak   758 spectrum    1 weight  0.10000E+01 volume  0.10470E-02 ppm1      7.199 ppm2      0.601 CV     1
 OR {  758}
   (( segid " 1SG" and resid 57   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI {  759}
   (( segid " 1SG" and resid 83   and name HN  ))
   (  segid " 1SG" and resid 104  and name HD2%)
      4.100     2.100     1.900 peak   759 spectrum    1 weight  0.10000E+01 volume  0.10444E-02 ppm1      8.256 ppm2      0.808 CV     1
 ASSI {  760}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 9    and name HB2 ))
      3.500     1.600     1.600 peak   760 spectrum    1 weight  0.10000E+01 volume  0.10417E-02 ppm1      8.888 ppm2      1.892 CV     1
 ASSI {  762}
   (( segid " 1SG" and resid 68   and name HN  ))
   (  segid " 1SG" and resid 66   and name HB% )
      2.800     2.800     3.200 peak   762 spectrum    1 weight  0.10000E+01 volume  0.10347E-02 ppm1      7.875 ppm2      1.403 CV     1
 ASSI {  764}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 74   and name HB2 ))
      3.000     1.100     1.100 peak   764 spectrum    1 weight  0.10000E+01 volume  0.10317E-02 ppm1      8.470 ppm2     -0.840 CV     1
 ASSI {  765}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 8    and name HA  ))
      3.600     1.600     1.600 peak   765 spectrum    1 weight  0.10000E+01 volume  0.10317E-02 ppm1      7.888 ppm2      4.174 CV     1
 ASSI {  767}
   (( segid " 1SG" and resid 91   and name HN  ))
   (( segid " 1SG" and resid 91   and name HB  ))
      3.200     1.300     1.300 peak   767 spectrum    1 weight  0.10000E+01 volume  0.10259E-02 ppm1      8.474 ppm2      1.131 CV     1
 ASSI {  770}
   (( segid " 1SG" and resid 102  and name HN  ))
   (( segid " 1SG" and resid 88   and name HA  ))
      3.600     1.600     1.600 peak   770 spectrum    1 weight  0.10000E+01 volume  0.10191E-02 ppm1      8.557 ppm2      5.305 CV     1
 ASSI {  771}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 57   and name HG  ))
      4.000     2.000     2.000 peak   771 spectrum    1 weight  0.10000E+01 volume  0.10186E-02 ppm1      7.198 ppm2      0.750 CV     1
 ASSI {  772}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 73   and name HA  ))
      3.100     1.200     1.200 peak   772 spectrum    1 weight  0.10000E+01 volume  0.10184E-02 ppm1      9.448 ppm2      5.466 CV     1
 ASSI {  773}
   (( segid " 1SG" and resid 6    and name HN  ))
   (( segid " 1SG" and resid 6    and name HA  ))
      3.200     1.300     1.300 peak   773 spectrum    1 weight  0.10000E+01 volume  0.10171E-02 ppm1      8.450 ppm2      4.448 CV     1
 ASSI {  774}
   (( segid " 1SG" and resid 12   and name HE21))
   (( segid " 1SG" and resid 12   and name HA  ))
      3.000     1.100     1.100 peak   774 spectrum    1 weight  0.10000E+01 volume  0.10170E-02 ppm1      7.451 ppm2      4.687 CV     1
 ASSI {  775}
   (( segid " 1SG" and resid 10   and name HN  ))
   (( segid " 1SG" and resid 10   and name HB2 ))
      3.400     1.500     1.500 peak   775 spectrum    1 weight  0.10000E+01 volume  0.10157E-02 ppm1      8.853 ppm2      1.250 CV     1
 ASSI {  776}
   (( segid " 1SG" and resid 102  and name HN  ))
   (( segid " 1SG" and resid 87   and name HN  ))
      3.100     1.200     1.200 peak   776 spectrum    1 weight  0.10000E+01 volume  0.10144E-02 ppm1      8.557 ppm2      9.117 CV     1
 ASSI {  777}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 94   and name HG1 ))
      3.100     1.200     1.200 peak   777 spectrum    1 weight  0.10000E+01 volume  0.10132E-02 ppm1      7.971 ppm2      1.402 CV     1
 OR {  777}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 94   and name HG2 ))
 ASSI {  778}
   (( segid " 1SG" and resid 75   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
      3.600     1.600     1.600 peak   778 spectrum    1 weight  0.10000E+01 volume  0.10117E-02 ppm1      9.152 ppm2      0.609 CV     1
 OR {  778}
   (( segid " 1SG" and resid 75   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI {  779}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 49   and name HA  ))
      3.200     1.300     1.300 peak   779 spectrum    1 weight  0.10000E+01 volume  0.10097E-02 ppm1      9.288 ppm2      3.859 CV     1
 ASSI {  783}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 56   and name HB2 ))
      3.600     1.700     1.700 peak   783 spectrum    1 weight  0.10000E+01 volume  0.10075E-02 ppm1      7.198 ppm2      3.101 CV     1
 ASSI {  789}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 97   and name HB2 ))
      3.600     1.700     1.700 peak   789 spectrum    1 weight  0.10000E+01 volume  0.99802E-03 ppm1      7.545 ppm2      2.672 CV     1
 ASSI {  790}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 104  and name HA  ))
      3.200     1.300     1.300 peak   790 spectrum    1 weight  0.10000E+01 volume  0.99666E-03 ppm1      8.792 ppm2      5.431 CV     1
 ASSI {  791}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 53   and name HN  ))
      3.900     1.900     1.900 peak   791 spectrum    1 weight  0.10000E+01 volume  0.99588E-03 ppm1      9.018 ppm2      6.764 CV     1
 ASSI {  792}
   (( segid " 1SG" and resid 104  and name HN  ))
   (  segid " 1SG" and resid 87   and name HE% )
      4.000     2.000     2.000 peak   792 spectrum    1 weight  0.10000E+01 volume  0.99496E-03 ppm1      8.791 ppm2      6.590 CV     1
 ASSI {  794}
   (( segid " 1SG" and resid 84   and name HN  ))
   (( segid " 1SG" and resid 85   and name HN  ))
      3.600     1.600     1.600 peak   794 spectrum    1 weight  0.10000E+01 volume  0.99256E-03 ppm1      7.865 ppm2      9.407 CV     1
 ASSI {  799}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (  segid " 1SG" and resid 39   and name HG2%)
      3.700     1.700     1.700 peak   799 spectrum    1 weight  0.10000E+01 volume  0.98312E-03 ppm1     10.779 ppm2     -0.462 CV     1
 ASSI {  802}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 103  and name HA  ))
      3.100     1.200     1.200 peak   802 spectrum    1 weight  0.10000E+01 volume  0.97746E-03 ppm1      9.242 ppm2      5.536 CV     1
 ASSI {  803}
   (( segid " 1SG" and resid 8    and name HN  ))
   (( segid " 1SG" and resid 8    and name HA  ))
      3.300     1.400     1.400 peak   803 spectrum    1 weight  0.10000E+01 volume  0.97251E-03 ppm1      9.052 ppm2      4.174 CV     1
 ASSI {  805}
   (( segid " 1SG" and resid 30   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG2%)
      4.000     2.000     2.000 peak   805 spectrum    1 weight  0.10000E+01 volume  0.97017E-03 ppm1      8.593 ppm2      0.934 CV     1
 ASSI {  807}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 57   and name HG  ))
      3.900     1.900     1.900 peak   807 spectrum    1 weight  0.10000E+01 volume  0.96398E-03 ppm1      8.941 ppm2      0.750 CV     1
 ASSI {  808}
   (( segid " 1SG" and resid 80   and name HE22))
   (  segid " 1SG" and resid 18   and name HG1%)
      4.900     3.000     1.100 peak   808 spectrum    1 weight  0.10000E+01 volume  0.96353E-03 ppm1      6.644 ppm2      0.986 CV     1
 ASSI {  810}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 59   and name HA  ))
      3.700     1.800     1.800 peak   810 spectrum    1 weight  0.10000E+01 volume  0.95884E-03 ppm1      9.150 ppm2      5.181 CV     1
 ASSI {  811}
   (( segid " 1SG" and resid 93   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.500     1.500     1.500 peak   811 spectrum    1 weight  0.10000E+01 volume  0.95780E-03 ppm1      8.558 ppm2      0.475 CV     1
 ASSI {  812}
   (( segid " 1SG" and resid 19   and name HN  ))
   (( segid " 1SG" and resid 78   and name HA  ))
      3.500     1.600     1.600 peak   812 spectrum    1 weight  0.10000E+01 volume  0.95721E-03 ppm1      9.829 ppm2      4.106 CV     1
 ASSI {  813}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 38   and name HB  ))
      3.400     1.400     1.400 peak   813 spectrum    1 weight  0.10000E+01 volume  0.95604E-03 ppm1      8.735 ppm2      1.891 CV     1
 ASSI {  814}
   (( segid " 1SG" and resid 43   and name HN  ))
   (  segid " 1SG" and resid 49   and name HD1%)
      3.600     1.700     1.700 peak   814 spectrum    1 weight  0.10000E+01 volume  0.95585E-03 ppm1      8.631 ppm2      1.759 CV     1
 ASSI {  815}
   (( segid " 1SG" and resid 6    and name HN  ))
   (( segid " 1SG" and resid 5    and name HA2 ))
      3.400     1.400     1.400 peak   815 spectrum    1 weight  0.10000E+01 volume  0.95487E-03 ppm1      8.450 ppm2      3.861 CV     1
 OR {  815}
   (( segid " 1SG" and resid 6    and name HN  ))
   (( segid " 1SG" and resid 5    and name HA1 ))
 ASSI {  816}
   (( segid " 1SG" and resid 26   and name HN  ))
   (( segid " 1SG" and resid 72   and name HN  ))
      3.200     1.300     1.300 peak   816 spectrum    1 weight  0.10000E+01 volume  0.95350E-03 ppm1      9.497 ppm2      9.294 CV     1
 ASSI {  817}
   (( segid " 1SG" and resid 46   and name HN  ))
   (( segid " 1SG" and resid 45   and name HA  ))
      3.200     1.300     1.300 peak   817 spectrum    1 weight  0.10000E+01 volume  0.95337E-03 ppm1      8.215 ppm2      3.494 CV     1
 ASSI {  819}
   (( segid " 1SG" and resid 47   and name HN  ))
   (  segid " 1SG" and resid 42   and name HD% )
      3.500     3.500     2.500 peak   819 spectrum    1 weight  0.10000E+01 volume  0.95168E-03 ppm1      7.293 ppm2      6.695 CV     1
 ASSI {  820}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 49   and name HB2 ))
      2.900     1.100     1.100 peak   820 spectrum    1 weight  0.10000E+01 volume  0.94973E-03 ppm1      9.288 ppm2      1.557 CV     1
 ASSI {  822}
   (( segid " 1SG" and resid 29   and name HN  ))
   (( segid " 1SG" and resid 7    and name HA  ))
      4.000     2.000     2.000 peak   822 spectrum    1 weight  0.10000E+01 volume  0.94283E-03 ppm1      8.855 ppm2      4.626 CV     1
 ASSI {  823}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 74   and name HN  ))
      3.300     1.300     1.300 peak   823 spectrum    1 weight  0.10000E+01 volume  0.94263E-03 ppm1      9.240 ppm2      8.469 CV     1
 ASSI {  825}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 40   and name HG1 ))
      4.600     2.700     1.400 peak   825 spectrum    1 weight  0.10000E+01 volume  0.94159E-03 ppm1      9.308 ppm2      1.241 CV     1
 OR {  825}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 40   and name HG2 ))
 ASSI {  828}
   (( segid " 1SG" and resid 58   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD1%)
      4.000     2.000     2.000 peak   828 spectrum    1 weight  0.10000E+01 volume  0.93873E-03 ppm1      8.945 ppm2      0.402 CV     1
 OR {  828}
   (( segid " 1SG" and resid 58   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD2%)
 ASSI {  829}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 42   and name HA  ))
      3.200     1.300     1.300 peak   829 spectrum    1 weight  0.10000E+01 volume  0.93782E-03 ppm1      9.289 ppm2      5.784 CV     1
 ASSI {  830}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 78   and name HB2 ))
      4.400     2.400     1.600 peak   830 spectrum    1 weight  0.10000E+01 volume  0.93528E-03 ppm1      8.973 ppm2      2.375 CV     1
 ASSI {  831}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB1 ))
      3.700     1.700     1.700 peak   831 spectrum    1 weight  0.10000E+01 volume  0.93521E-03 ppm1      8.941 ppm2      1.687 CV     1
 OR {  831}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 59   and name HB2 ))
 ASSI {  832}
   (( segid " 1SG" and resid 70   and name HN  ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      3.200     1.300     1.300 peak   832 spectrum    1 weight  0.10000E+01 volume  0.93450E-03 ppm1      9.273 ppm2      2.816 CV     1
 ASSI {  833}
   (( segid " 1SG" and resid 87   and name HN  ))
   (( segid " 1SG" and resid 87   and name HB2 ))
      3.100     1.200     1.200 peak   833 spectrum    1 weight  0.10000E+01 volume  0.93222E-03 ppm1      9.112 ppm2      0.700 CV     1
 ASSI {  834}
   (( segid " 1SG" and resid 5    and name HN  ))
   (  segid " 1SG" and resid 4    and name HG2%)
      3.300     1.300     1.300 peak   834 spectrum    1 weight  0.10000E+01 volume  0.93157E-03 ppm1      8.145 ppm2      0.907 CV     1
 ASSI {  838}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 64   and name HB2 ))
      4.200     2.200     1.800 peak   838 spectrum    1 weight  0.10000E+01 volume  0.92734E-03 ppm1      8.307 ppm2      2.338 CV     1
 ASSI {  839}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 90   and name HN  ))
      3.200     1.300     1.300 peak   839 spectrum    1 weight  0.10000E+01 volume  0.92629E-03 ppm1      8.694 ppm2      9.477 CV     1
 ASSI {  840}
   (( segid " 1SG" and resid 92   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG2%)
      3.700     1.700     1.700 peak   840 spectrum    1 weight  0.10000E+01 volume  0.92538E-03 ppm1      8.735 ppm2     -0.459 CV     1
 ASSI {  843}
   (( segid " 1SG" and resid 7    and name HN  ))
   (( segid " 1SG" and resid 7    and name HB2 ))
      3.200     1.300     1.300 peak   843 spectrum    1 weight  0.10000E+01 volume  0.92167E-03 ppm1      8.878 ppm2      2.581 CV     1
 ASSI {  844}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 69   and name HN  ))
      4.100     2.100     1.900 peak   844 spectrum    1 weight  0.10000E+01 volume  0.92057E-03 ppm1      7.422 ppm2      6.897 CV     1
 ASSI {  845}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 72   and name HB2 ))
      4.000     2.000     2.000 peak   845 spectrum    1 weight  0.10000E+01 volume  0.91979E-03 ppm1      8.725 ppm2      2.890 CV     1
 ASSI {  847}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 4    and name HN  ))
      3.500     1.500     1.500 peak   847 spectrum    1 weight  0.10000E+01 volume  0.91660E-03 ppm1      8.112 ppm2      8.269 CV     1
 ASSI {  848}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 39   and name HB  ))
      3.900     1.900     1.900 peak   848 spectrum    1 weight  0.10000E+01 volume  0.91412E-03 ppm1      8.696 ppm2      0.582 CV     1
 ASSI {  852}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 71   and name HA  ))
      3.200     1.300     1.300 peak   852 spectrum    1 weight  0.10000E+01 volume  0.90625E-03 ppm1      8.722 ppm2      5.068 CV     1
 ASSI {  853}
   (( segid " 1SG" and resid 31   and name HN  ))
   (( segid " 1SG" and resid 30   and name HN  ))
      3.300     1.300     1.300 peak   853 spectrum    1 weight  0.10000E+01 volume  0.90592E-03 ppm1      8.414 ppm2      8.590 CV     1
 ASSI {  854}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 80   and name HN  ))
      4.000     2.000     2.000 peak   854 spectrum    1 weight  0.10000E+01 volume  0.90527E-03 ppm1      8.971 ppm2      5.576 CV     1
 ASSI {  859}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 41   and name HA  ))
      3.200     1.300     1.300 peak   859 spectrum    1 weight  0.10000E+01 volume  0.89824E-03 ppm1      9.309 ppm2      5.470 CV     1
 ASSI {  860}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 73   and name HB2 ))
      3.600     1.600     1.600 peak   860 spectrum    1 weight  0.10000E+01 volume  0.89622E-03 ppm1      9.449 ppm2      1.556 CV     1
 ASSI {  861}
   (( segid " 1SG" and resid 20   and name HN  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      3.900     1.900     1.900 peak   861 spectrum    1 weight  0.10000E+01 volume  0.89525E-03 ppm1      8.825 ppm2      1.280 CV     1
 ASSI {  863}
   (( segid " 1SG" and resid 16   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.900     1.900     1.900 peak   863 spectrum    1 weight  0.10000E+01 volume  0.89368E-03 ppm1      8.593 ppm2      0.375 CV     1
 ASSI {  864}
   (( segid " 1SG" and resid 26   and name HN  ))
   (( segid " 1SG" and resid 73   and name HA  ))
      3.400     1.400     1.400 peak   864 spectrum    1 weight  0.10000E+01 volume  0.89180E-03 ppm1      9.497 ppm2      5.471 CV     1
 ASSI {  865}
   (( segid " 1SG" and resid 46   and name HN  ))
   (  segid " 1SG" and resid 47   and name HG1%)
      4.200     2.200     1.800 peak   865 spectrum    1 weight  0.10000E+01 volume  0.89141E-03 ppm1      8.216 ppm2      0.967 CV     1
 ASSI {  866}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 46   and name HA  ))
      3.600     1.600     1.600 peak   866 spectrum    1 weight  0.10000E+01 volume  0.89010E-03 ppm1      7.291 ppm2      4.989 CV     1
 ASSI {  872}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 52   and name HB2 ))
      4.300     2.300     1.700 peak   872 spectrum    1 weight  0.10000E+01 volume  0.88509E-03 ppm1      6.764 ppm2      1.716 CV     1
 ASSI {  873}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 76   and name HG12))
      4.300     2.300     1.700 peak   873 spectrum    1 weight  0.10000E+01 volume  0.88431E-03 ppm1      7.198 ppm2      1.092 CV     1
 ASSI {  874}
   (( segid " 1SG" and resid 71   and name HN  ))
   (  segid " 1SG" and resid 63   and name HD% )
      2.900     2.900     3.100 peak   874 spectrum    1 weight  0.10000E+01 volume  0.88216E-03 ppm1      8.724 ppm2      5.900 CV     1
 ASSI {  875}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 104  and name HB2 ))
      3.800     1.800     1.800 peak   875 spectrum    1 weight  0.10000E+01 volume  0.88158E-03 ppm1      8.793 ppm2      1.229 CV     1
 ASSI {  877}
   (( segid " 1SG" and resid 24   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD2%)
      4.100     2.100     1.900 peak   877 spectrum    1 weight  0.10000E+01 volume  0.87937E-03 ppm1      9.239 ppm2      0.410 CV     1
 OR {  877}
   (( segid " 1SG" and resid 24   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI {  879}
   (( segid " 1SG" and resid 96   and name HN  ))
   (  segid " 1SG" and resid 93   and name HG2%)
      4.000     2.000     2.000 peak   879 spectrum    1 weight  0.10000E+01 volume  0.87689E-03 ppm1      7.548 ppm2      1.025 CV     1
 ASSI {  880}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 78   and name HA  ))
      3.400     1.400     1.400 peak   880 spectrum    1 weight  0.10000E+01 volume  0.87618E-03 ppm1      8.826 ppm2      4.088 CV     1
 ASSI {  881}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 41   and name HB2 ))
      3.000     1.100     1.100 peak   881 spectrum    1 weight  0.10000E+01 volume  0.87552E-03 ppm1      9.312 ppm2      3.155 CV     1
 ASSI {  885}
   (( segid " 1SG" and resid 86   and name HN  ))
   (( segid " 1SG" and resid 87   and name HN  ))
      3.700     1.700     1.700 peak   885 spectrum    1 weight  0.10000E+01 volume  0.87038E-03 ppm1      7.947 ppm2      9.112 CV     1
 ASSI {  888}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 105  and name HA  ))
      3.200     1.300     1.300 peak   888 spectrum    1 weight  0.10000E+01 volume  0.86836E-03 ppm1      8.397 ppm2      4.536 CV     1
 ASSI {  889}
   (( segid " 1SG" and resid 58   and name HE22))
   (  segid " 1SG" and resid 77   and name HG2%)
      3.500     1.500     1.500 peak   889 spectrum    1 weight  0.10000E+01 volume  0.86576E-03 ppm1      6.684 ppm2      1.034 CV     1
 ASSI {  891}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 38   and name HN  ))
      4.000     2.000     2.000 peak   891 spectrum    1 weight  0.10000E+01 volume  0.86407E-03 ppm1      7.893 ppm2      8.374 CV     1
 ASSI {  892}
   (( segid " 1SG" and resid 14   and name HN  ))
   (  segid " 1SG" and resid 22   and name HD1%)
      4.200     2.200     1.800 peak   892 spectrum    1 weight  0.10000E+01 volume  0.86368E-03 ppm1      9.186 ppm2      0.528 CV     1
 ASSI {  894}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 28   and name HA  ))
      3.300     1.400     1.400 peak   894 spectrum    1 weight  0.10000E+01 volume  0.86147E-03 ppm1      9.673 ppm2      4.901 CV     1
 ASSI {  896}
   (( segid " 1SG" and resid 98   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.700     1.700     1.700 peak   896 spectrum    1 weight  0.10000E+01 volume  0.86107E-03 ppm1      8.417 ppm2      0.476 CV     1
 ASSI {  897}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 45   and name HA  ))
      2.900     2.900     3.100 peak   897 spectrum    1 weight  0.10000E+01 volume  0.86075E-03 ppm1      7.291 ppm2      3.498 CV     1
 ASSI {  899}
   (( segid " 1SG" and resid 80   and name HE21))
   (  segid " 1SG" and resid 18   and name HG1%)
      4.500     2.500     1.500 peak   899 spectrum    1 weight  0.10000E+01 volume  0.85984E-03 ppm1      6.984 ppm2      0.990 CV     1
 ASSI {  900}
   (( segid " 1SG" and resid 85   and name HN  ))
   (  segid " 1SG" and resid 87   and name HE% )
      3.700     1.700     1.700 peak   900 spectrum    1 weight  0.10000E+01 volume  0.85938E-03 ppm1      9.408 ppm2      6.590 CV     1
 ASSI {  902}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 14   and name HN  ))
      4.000     2.000     2.000 peak   902 spectrum    1 weight  0.10000E+01 volume  0.85854E-03 ppm1      8.503 ppm2      9.185 CV     1
 ASSI {  905}
   (( segid " 1SG" and resid 8    and name HN  ))
   (( segid " 1SG" and resid 28   and name HA  ))
      3.300     1.400     1.400 peak   905 spectrum    1 weight  0.10000E+01 volume  0.85593E-03 ppm1      9.051 ppm2      4.900 CV     1
 ASSI {  906}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 61   and name HN  ))
      4.100     2.100     1.900 peak   906 spectrum    1 weight  0.10000E+01 volume  0.85496E-03 ppm1      8.846 ppm2      8.182 CV     1
 ASSI {  907}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 68   and name HG1 ))
      4.000     2.000     2.000 peak   907 spectrum    1 weight  0.10000E+01 volume  0.85496E-03 ppm1      6.897 ppm2      1.262 CV     1
 OR {  907}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 68   and name HG2 ))
 ASSI {  911}
   (( segid " 1SG" and resid 7    and name HN  ))
   (( segid " 1SG" and resid 7    and name HA  ))
      3.400     1.500     1.500 peak   911 spectrum    1 weight  0.10000E+01 volume  0.84864E-03 ppm1      8.874 ppm2      4.632 CV     1
 ASSI {  913}
   (( segid " 1SG" and resid 100  and name HN  ))
   (( segid " 1SG" and resid 90   and name HB2 ))
      3.800     3.800     2.200 peak   913 spectrum    1 weight  0.10000E+01 volume  0.84617E-03 ppm1      8.888 ppm2      2.040 CV     1
 ASSI {  914}
   (( segid " 1SG" and resid 100  and name HN  ))
   (( segid " 1SG" and resid 99   and name HB2 ))
      3.500     1.500     1.500 peak   914 spectrum    1 weight  0.10000E+01 volume  0.84409E-03 ppm1      8.896 ppm2      2.735 CV     1
 ASSI {  915}
   (( segid " 1SG" and resid 68   and name HN  ))
   (( segid " 1SG" and resid 67   and name HB1 ))
      3.900     1.900     1.900 peak   915 spectrum    1 weight  0.10000E+01 volume  0.84181E-03 ppm1      7.872 ppm2      3.727 CV     1
 OR {  915}
   (( segid " 1SG" and resid 68   and name HN  ))
   (( segid " 1SG" and resid 67   and name HB2 ))
 ASSI {  916}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 36   and name HD2 ))
      4.400     2.400     1.600 peak   916 spectrum    1 weight  0.10000E+01 volume  0.84051E-03 ppm1      7.511 ppm2      3.495 CV     1
 ASSI {  919}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 103  and name HD22))
      3.700     1.800     1.800 peak   919 spectrum    1 weight  0.10000E+01 volume  0.83764E-03 ppm1      9.241 ppm2      6.759 CV     1
 ASSI {  920}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 16   and name HN  ))
      3.800     1.800     1.800 peak   920 spectrum    1 weight  0.10000E+01 volume  0.83745E-03 ppm1      8.401 ppm2      8.591 CV     1
 ASSI {  922}
   (( segid " 1SG" and resid 84   and name HN  ))
   (( segid " 1SG" and resid 106  and name HB  ))
      3.700     1.700     1.700 peak   922 spectrum    1 weight  0.10000E+01 volume  0.83543E-03 ppm1      7.867 ppm2      1.848 CV     1
 ASSI {  929}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 62   and name HB2 ))
      3.400     1.500     1.500 peak   929 spectrum    1 weight  0.10000E+01 volume  0.83042E-03 ppm1      8.847 ppm2      3.809 CV     1
 ASSI {  930}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 43   and name HN  ))
      3.300     1.400     1.400 peak   930 spectrum    1 weight  0.10000E+01 volume  0.82970E-03 ppm1      7.291 ppm2      8.632 CV     1
 ASSI {  931}
   (( segid " 1SG" and resid 59   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
      3.600     1.600     1.600 peak   931 spectrum    1 weight  0.10000E+01 volume  0.82944E-03 ppm1      8.380 ppm2      0.601 CV     1
 OR {  931}
   (( segid " 1SG" and resid 59   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI {  936}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (( segid " 1SG" and resid 39   and name HB  ))
      3.500     1.600     1.600 peak   936 spectrum    1 weight  0.10000E+01 volume  0.82625E-03 ppm1     10.779 ppm2      0.593 CV     1
 ASSI {  939}
   (( segid " 1SG" and resid 84   and name HN  ))
   (( segid " 1SG" and resid 81   and name HA  ))
      4.100     2.100     1.900 peak   939 spectrum    1 weight  0.10000E+01 volume  0.82300E-03 ppm1      7.866 ppm2      3.996 CV     1
 ASSI {  940}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 96   and name HG1 ))
      3.700     1.700     1.700 peak   940 spectrum    1 weight  0.10000E+01 volume  0.82293E-03 ppm1      8.106 ppm2      1.324 CV     1
 OR {  940}
   (( segid " 1SG" and resid 2    and name HN  ))
   (( segid " 1SG" and resid 96   and name HG2 ))
 ASSI {  941}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 25   and name HA  ))
      3.600     1.600     1.600 peak   941 spectrum    1 weight  0.10000E+01 volume  0.82228E-03 ppm1      8.472 ppm2      5.686 CV     1
 ASSI {  943}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 43   and name HG2 ))
      3.200     1.300     1.300 peak   943 spectrum    1 weight  0.10000E+01 volume  0.81753E-03 ppm1      8.211 ppm2      0.071 CV     1
 ASSI {  944}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 59   and name HN  ))
      3.800     1.800     1.800 peak   944 spectrum    1 weight  0.10000E+01 volume  0.81271E-03 ppm1      8.685 ppm2      8.389 CV     1
 ASSI {  946}
   (( segid " 1SG" and resid 90   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG2%)
      4.100     2.100     1.900 peak   946 spectrum    1 weight  0.10000E+01 volume  0.80751E-03 ppm1      9.489 ppm2     -0.473 CV     1
 ASSI {  947}
   (( segid " 1SG" and resid 23   and name HN  ))
   (( segid " 1SG" and resid 22   and name HN  ))
      3.800     1.800     1.800 peak   947 spectrum    1 weight  0.10000E+01 volume  0.80562E-03 ppm1      7.911 ppm2      8.899 CV     1
 ASSI {  951}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 73   and name HB2 ))
      3.500     1.600     1.600 peak   951 spectrum    1 weight  0.10000E+01 volume  0.80119E-03 ppm1      8.467 ppm2      1.552 CV     1
 ASSI {  952}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 72   and name HB2 ))
      4.100     2.100     1.900 peak   952 spectrum    1 weight  0.10000E+01 volume  0.80022E-03 ppm1      8.896 ppm2      2.884 CV     1
 ASSI {  953}
   (( segid " 1SG" and resid 82   and name HN  ))
   (( segid " 1SG" and resid 82   and name HA  ))
      3.500     1.500     1.500 peak   953 spectrum    1 weight  0.10000E+01 volume  0.79989E-03 ppm1      8.017 ppm2      4.202 CV     1
 ASSI {  955}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 91   and name HB  ))
      3.900     1.900     1.900 peak   955 spectrum    1 weight  0.10000E+01 volume  0.79898E-03 ppm1      8.733 ppm2      1.128 CV     1
 ASSI {  958}
   (( segid " 1SG" and resid 18   and name HN  ))
   (( segid " 1SG" and resid 19   and name HN  ))
      4.300     2.300     1.700 peak   958 spectrum    1 weight  0.10000E+01 volume  0.79423E-03 ppm1      8.005 ppm2      9.828 CV     1
 ASSI {  963}
   (( segid " 1SG" and resid 72   and name HN  ))
   (( segid " 1SG" and resid 72   and name HA  ))
      3.200     1.300     1.300 peak   963 spectrum    1 weight  0.10000E+01 volume  0.79039E-03 ppm1      9.295 ppm2      5.368 CV     1
 ASSI {  964}
   (( segid " 1SG" and resid 87   and name HN  ))
   (( segid " 1SG" and resid 87   and name HA  ))
      3.300     1.400     1.400 peak   964 spectrum    1 weight  0.10000E+01 volume  0.78922E-03 ppm1      9.110 ppm2      4.975 CV     1
 ASSI {  967}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 17   and name HN  ))
      4.100     2.100     1.900 peak   967 spectrum    1 weight  0.10000E+01 volume  0.78622E-03 ppm1      8.592 ppm2      7.900 CV     1
 ASSI {  968}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 40   and name HN  ))
      3.900     1.900     1.900 peak   968 spectrum    1 weight  0.10000E+01 volume  0.78414E-03 ppm1      7.893 ppm2      8.706 CV     1
 ASSI {  971}
   (( segid " 1SG" and resid 33   and name HN  ))
   (  segid " 1SG" and resid 33   and name HD1%)
      4.100     2.100     1.900 peak   971 spectrum    1 weight  0.10000E+01 volume  0.78180E-03 ppm1      7.611 ppm2      0.876 CV     1
 OR {  971}
   (( segid " 1SG" and resid 33   and name HN  ))
   (  segid " 1SG" and resid 33   and name HD2%)
 ASSI {  972}
   (( segid " 1SG" and resid 72   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD2%)
      3.000     3.000     3.000 peak   972 spectrum    1 weight  0.10000E+01 volume  0.78160E-03 ppm1      9.295 ppm2      0.738 CV     1
 ASSI {  975}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 42   and name HN  ))
      3.400     1.400     1.400 peak   975 spectrum    1 weight  0.10000E+01 volume  0.77939E-03 ppm1      9.108 ppm2      9.450 CV     1
 ASSI {  976}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 74   and name HB2 ))
      4.200     2.200     1.800 peak   976 spectrum    1 weight  0.10000E+01 volume  0.77802E-03 ppm1      9.150 ppm2     -0.838 CV     1
 ASSI {  977}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 87   and name HB2 ))
      4.200     2.200     1.800 peak   977 spectrum    1 weight  0.10000E+01 volume  0.77398E-03 ppm1      9.107 ppm2      0.710 CV     1
 ASSI {  979}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 46   and name HB2 ))
      3.800     1.800     1.800 peak   979 spectrum    1 weight  0.10000E+01 volume  0.77027E-03 ppm1      7.292 ppm2      3.055 CV     1
 ASSI {  980}
   (( segid " 1SG" and resid 10   and name HN  ))
   (( segid " 1SG" and resid 9    and name HG2 ))
      4.000     2.000     2.000 peak   980 spectrum    1 weight  0.10000E+01 volume  0.77008E-03 ppm1      8.851 ppm2      2.507 CV     1
 ASSI {  984}
   (( segid " 1SG" and resid 107  and name HN  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      4.200     2.200     1.800 peak   984 spectrum    1 weight  0.10000E+01 volume  0.76429E-03 ppm1      8.820 ppm2      1.285 CV     1
 ASSI {  986}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 52   and name HG2 ))
      4.100     2.100     1.900 peak   986 spectrum    1 weight  0.10000E+01 volume  0.76188E-03 ppm1      6.765 ppm2      1.329 CV     1
 OR {  986}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 52   and name HG1 ))
 ASSI {  990}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 77   and name HN  ))
      4.000     2.000     2.000 peak   990 spectrum    1 weight  0.10000E+01 volume  0.75895E-03 ppm1      8.053 ppm2      8.718 CV     1
 ASSI {  991}
   (( segid " 1SG" and resid 97   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.800     1.800     1.800 peak   991 spectrum    1 weight  0.10000E+01 volume  0.75862E-03 ppm1      8.063 ppm2      0.474 CV     1
 ASSI {  992}
   (( segid " 1SG" and resid 90   and name HN  ))
   (( segid " 1SG" and resid 90   and name HB2 ))
      3.500     1.600     1.600 peak   992 spectrum    1 weight  0.10000E+01 volume  0.75836E-03 ppm1      9.489 ppm2      2.034 CV     1
 ASSI {  993}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 49   and name HG  ))
      4.100     2.100     1.900 peak   993 spectrum    1 weight  0.10000E+01 volume  0.75804E-03 ppm1      8.941 ppm2      0.789 CV     1
 ASSI {  994}
   (( segid " 1SG" and resid 22   and name HN  ))
   (  segid " 1SG" and resid 77   and name HG2%)
      4.000     2.000     2.000 peak   994 spectrum    1 weight  0.10000E+01 volume  0.75635E-03 ppm1      8.888 ppm2      1.018 CV     1
 ASSI {  996}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 43   and name HB2 ))
      3.500     1.600     1.600 peak   996 spectrum    1 weight  0.10000E+01 volume  0.75504E-03 ppm1      8.628 ppm2      1.216 CV     1
 ASSI {  997}
   (( segid " 1SG" and resid 20   and name HN  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      3.600     1.600     1.600 peak   997 spectrum    1 weight  0.10000E+01 volume  0.75426E-03 ppm1      8.825 ppm2      0.602 CV     1
 ASSI {  998}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 18   and name HA  ))
      4.100     2.100     1.900 peak   998 spectrum    1 weight  0.10000E+01 volume  0.74899E-03 ppm1      8.973 ppm2      3.481 CV     1
 ASSI { 1001}
   (( segid " 1SG" and resid 28   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG2%)
      3.900     1.900     1.900 peak  1001 spectrum    1 weight  0.10000E+01 volume  0.74632E-03 ppm1      9.673 ppm2      0.941 CV     1
 ASSI { 1002}
   (( segid " 1SG" and resid 4    and name HN  ))
   (( segid " 1SG" and resid 2    and name HA  ))
      3.700     1.700     1.700 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.74515E-03 ppm1      8.264 ppm2      4.901 CV     1
 ASSI { 1003}
   (( segid " 1SG" and resid 105  and name HN  ))
   (  segid " 1SG" and resid 104  and name HD2%)
      4.000     2.000     2.000 peak  1003 spectrum    1 weight  0.10000E+01 volume  0.73923E-03 ppm1      8.399 ppm2      0.818 CV     1
 ASSI { 1004}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 57   and name HG  ))
      3.600     1.700     1.700 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.73871E-03 ppm1      6.764 ppm2      0.753 CV     1
 ASSI { 1008}
   (( segid " 1SG" and resid 78   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      4.100     2.100     1.900 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.73656E-03 ppm1      8.053 ppm2      1.176 CV     1
 ASSI { 1009}
   (( segid " 1SG" and resid 27   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG1%)
      4.300     2.300     1.700 peak  1009 spectrum    1 weight  0.10000E+01 volume  0.73643E-03 ppm1      8.893 ppm2      0.948 CV     1
 OR { 1009}
   (( segid " 1SG" and resid 27   and name HN  ))
   (  segid " 1SG" and resid 8    and name HG2%)
 ASSI { 1010}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 61   and name HN  ))
      4.400     2.400     1.600 peak  1010 spectrum    1 weight  0.10000E+01 volume  0.73636E-03 ppm1      8.686 ppm2      8.184 CV     1
 ASSI { 1013}
   (( segid " 1SG" and resid 46   and name HN  ))
   (( segid " 1SG" and resid 46   and name HA  ))
      3.400     1.500     1.500 peak  1013 spectrum    1 weight  0.10000E+01 volume  0.73474E-03 ppm1      8.217 ppm2      4.976 CV     1
 ASSI { 1014}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 21   and name HN  ))
      4.100     2.100     1.900 peak  1014 spectrum    1 weight  0.10000E+01 volume  0.73434E-03 ppm1      8.891 ppm2      8.169 CV     1
 ASSI { 1015}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 74   and name HA  ))
      3.300     1.400     1.400 peak  1015 spectrum    1 weight  0.10000E+01 volume  0.73389E-03 ppm1      8.470 ppm2      4.333 CV     1
 ASSI { 1016}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (  segid " 1SG" and resid 47   and name HG1%)
      4.100     2.100     1.900 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.73272E-03 ppm1     10.115 ppm2      0.962 CV     1
 ASSI { 1017}
   (( segid " 1SG" and resid 38   and name HN  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      4.000     2.000     2.000 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.73031E-03 ppm1      8.375 ppm2      0.173 CV     1
 ASSI { 1018}
   (( segid " 1SG" and resid 98   and name HN  ))
   (  segid " 1SG" and resid 97   and name HD% )
      3.900     1.900     1.900 peak  1018 spectrum    1 weight  0.10000E+01 volume  0.72868E-03 ppm1      8.417 ppm2      7.087 CV     1
 ASSI { 1019}
   (( segid " 1SG" and resid 104  and name HN  ))
   (  segid " 1SG" and resid 104  and name HD2%)
      4.200     2.200     1.800 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.72653E-03 ppm1      8.795 ppm2      0.813 CV     1
 ASSI { 1020}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 57   and name HN  ))
      3.200     1.200     1.200 peak  1020 spectrum    1 weight  0.10000E+01 volume  0.72608E-03 ppm1      7.433 ppm2      7.207 CV     1
 ASSI { 1022}
   (( segid " 1SG" and resid 101  and name HN  ))
   (( segid " 1SG" and resid 101  and name HB2 ))
      4.000     2.000     2.000 peak  1022 spectrum    1 weight  0.10000E+01 volume  0.72465E-03 ppm1      9.044 ppm2      2.699 CV     1
 ASSI { 1026}
   (( segid " 1SG" and resid 91   and name HN  ))
   (( segid " 1SG" and resid 99   and name HA  ))
      3.900     1.900     1.900 peak  1026 spectrum    1 weight  0.10000E+01 volume  0.72074E-03 ppm1      8.474 ppm2      5.702 CV     1
 ASSI { 1027}
   (( segid " 1SG" and resid 18   and name HN  ))
   (( segid " 1SG" and resid 107  and name HB2 ))
      4.100     2.100     1.900 peak  1027 spectrum    1 weight  0.10000E+01 volume  0.72022E-03 ppm1      8.006 ppm2      3.075 CV     1
 OR { 1027}
   (( segid " 1SG" and resid 18   and name HN  ))
   (( segid " 1SG" and resid 107  and name HB1 ))
 ASSI { 1028}
   (( segid " 1SG" and resid 12   and name HN  ))
   (( segid " 1SG" and resid 11   and name HB2 ))
      4.000     2.000     2.000 peak  1028 spectrum    1 weight  0.10000E+01 volume  0.71885E-03 ppm1      8.345 ppm2      0.920 CV     1
 ASSI { 1029}
   (( segid " 1SG" and resid 42   and name HN  ))
   (( segid " 1SG" and resid 42   and name HB2 ))
      3.500     1.600     1.600 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.71879E-03 ppm1      9.448 ppm2      2.466 CV     1
 ASSI { 1031}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 70   and name HN  ))
      3.800     1.800     1.800 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.71775E-03 ppm1      6.898 ppm2      9.268 CV     1
 ASSI { 1035}
   (( segid " 1SG" and resid 84   and name HN  ))
   (( segid " 1SG" and resid 106  and name HN  ))
      3.700     1.700     1.700 peak  1035 spectrum    1 weight  0.10000E+01 volume  0.71352E-03 ppm1      7.865 ppm2      8.160 CV     1
 ASSI { 1036}
   (( segid " 1SG" and resid 51   and name HN  ))
   (( segid " 1SG" and resid 49   and name HA  ))
      3.700     1.700     1.700 peak  1036 spectrum    1 weight  0.10000E+01 volume  0.71137E-03 ppm1      7.877 ppm2      3.864 CV     1
 ASSI { 1039}
   (( segid " 1SG" and resid 65   and name HN  ))
   (  segid " 1SG" and resid 66   and name HB% )
      4.600     2.700     1.400 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.70824E-03 ppm1      8.306 ppm2      1.408 CV     1
 ASSI { 1040}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      4.300     2.300     1.700 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.70772E-03 ppm1      8.721 ppm2      2.808 CV     1
 ASSI { 1041}
   (( segid " 1SG" and resid 70   and name HN  ))
   (( segid " 1SG" and resid 69   and name HB  ))
      3.900     1.900     1.900 peak  1041 spectrum    1 weight  0.10000E+01 volume  0.70557E-03 ppm1      9.274 ppm2      1.751 CV     1
 ASSI { 1042}
   (( segid " 1SG" and resid 84   and name HN  ))
   (( segid " 1SG" and resid 83   and name HB2 ))
      4.100     2.100     1.900 peak  1042 spectrum    1 weight  0.10000E+01 volume  0.70525E-03 ppm1      7.868 ppm2      3.172 CV     1
 ASSI { 1043}
   (( segid " 1SG" and resid 30   and name HN  ))
   (  segid " 1SG" and resid 70   and name HD% )
      3.900     1.900     1.900 peak  1043 spectrum    1 weight  0.10000E+01 volume  0.70421E-03 ppm1      8.592 ppm2      7.062 CV     1
 ASSI { 1045}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 81   and name HA  ))
      3.600     1.600     1.600 peak  1045 spectrum    1 weight  0.10000E+01 volume  0.70043E-03 ppm1      8.255 ppm2      3.992 CV     1
 ASSI { 1046}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 99   and name HA  ))
      3.500     1.500     1.500 peak  1046 spectrum    1 weight  0.10000E+01 volume  0.69783E-03 ppm1      9.230 ppm2      5.702 CV     1
 ASSI { 1047}
   (( segid " 1SG" and resid 84   and name HN  ))
   (  segid " 1SG" and resid 104  and name HD2%)
      4.000     2.000     2.000 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.69757E-03 ppm1      7.867 ppm2      0.812 CV     1
 ASSI { 1049}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 54   and name HN  ))
      3.600     1.700     1.700 peak  1049 spectrum    1 weight  0.10000E+01 volume  0.69542E-03 ppm1      7.434 ppm2      9.012 CV     1
 ASSI { 1051}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 19   and name HA1 ))
      5.000     3.100     1.000 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.69392E-03 ppm1      8.051 ppm2      4.254 CV     1
 ASSI { 1052}
   (( segid " 1SG" and resid 46   and name HN  ))
   (( segid " 1SG" and resid 46   and name HB2 ))
      4.000     2.000     2.000 peak  1052 spectrum    1 weight  0.10000E+01 volume  0.69282E-03 ppm1      8.216 ppm2      3.056 CV     1
 ASSI { 1054}
   (( segid " 1SG" and resid 62   and name HN  ))
   (  segid " 1SG" and resid 72   and name HD% )
      4.200     2.200     1.800 peak  1054 spectrum    1 weight  0.10000E+01 volume  0.69060E-03 ppm1      8.848 ppm2      7.306 CV     1
 ASSI { 1055}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HD2 ))
      4.200     2.200     1.800 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.69028E-03 ppm1      8.305 ppm2      3.228 CV     1
 OR { 1055}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 65   and name HD1 ))
 ASSI { 1057}
   (( segid " 1SG" and resid 72   and name HN  ))
   (  segid " 1SG" and resid 26   and name HB% )
      3.600     1.600     1.600 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.68878E-03 ppm1      9.293 ppm2      1.455 CV     1
 ASSI { 1059}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 23   and name HB  ))
      4.300     2.300     1.700 peak  1059 spectrum    1 weight  0.10000E+01 volume  0.68598E-03 ppm1      9.239 ppm2      3.585 CV     1
 ASSI { 1060}
   (( segid " 1SG" and resid 70   and name HN  ))
   (( segid " 1SG" and resid 28   and name HN  ))
      3.500     1.500     1.500 peak  1060 spectrum    1 weight  0.10000E+01 volume  0.68559E-03 ppm1      9.269 ppm2      9.678 CV     1
 ASSI { 1061}
   (( segid " 1SG" and resid 46   and name HN  ))
   (( segid " 1SG" and resid 45   and name HB2 ))
      3.500     1.500     1.500 peak  1061 spectrum    1 weight  0.10000E+01 volume  0.68468E-03 ppm1      8.213 ppm2      0.596 CV     1
 OR { 1061}
   (( segid " 1SG" and resid 46   and name HN  ))
   (( segid " 1SG" and resid 45   and name HG2 ))
 ASSI { 1062}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 74   and name HA  ))
      3.900     1.900     1.900 peak  1062 spectrum    1 weight  0.10000E+01 volume  0.68370E-03 ppm1      8.687 ppm2      4.333 CV     1
 ASSI { 1065}
   (( segid " 1SG" and resid 85   and name HN  ))
   (( segid " 1SG" and resid 104  and name HG  ))
      3.800     1.800     1.800 peak  1065 spectrum    1 weight  0.10000E+01 volume  0.68006E-03 ppm1      9.407 ppm2      1.334 CV     1
 ASSI { 1071}
   (( segid " 1SG" and resid 7    and name HN  ))
   (( segid " 1SG" and resid 6    and name HA  ))
      3.700     1.700     1.700 peak  1071 spectrum    1 weight  0.10000E+01 volume  0.67453E-03 ppm1      8.878 ppm2      4.443 CV     1
 ASSI { 1077}
   (( segid " 1SG" and resid 62   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD2%)
      4.100     2.100     1.900 peak  1077 spectrum    1 weight  0.10000E+01 volume  0.66698E-03 ppm1      8.848 ppm2      0.735 CV     1
 ASSI { 1078}
   (( segid " 1SG" and resid 72   and name HN  ))
   (( segid " 1SG" and resid 27   and name HA  ))
      3.800     1.800     1.800 peak  1078 spectrum    1 weight  0.10000E+01 volume  0.66646E-03 ppm1      9.296 ppm2      5.831 CV     1
 ASSI { 1079}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 67   and name HB2 ))
      4.000     2.000     2.000 peak  1079 spectrum    1 weight  0.10000E+01 volume  0.66541E-03 ppm1      6.900 ppm2      3.732 CV     1
 OR { 1079}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 67   and name HB1 ))
 ASSI { 1080}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 55   and name HA  ))
      3.500     1.500     1.500 peak  1080 spectrum    1 weight  0.10000E+01 volume  0.66476E-03 ppm1      7.434 ppm2      3.988 CV     1
 ASSI { 1081}
   (( segid " 1SG" and resid 16   and name HN  ))
   (( segid " 1SG" and resid 105  and name HB  ))
      4.000     2.000     2.000 peak  1081 spectrum    1 weight  0.10000E+01 volume  0.66444E-03 ppm1      8.593 ppm2      3.930 CV     1
 ASSI { 1082}
   (( segid " 1SG" and resid 77   and name HN  ))
   (( segid " 1SG" and resid 76   and name HB  ))
      4.100     2.100     1.900 peak  1082 spectrum    1 weight  0.10000E+01 volume  0.66424E-03 ppm1      8.711 ppm2      1.910 CV     1
 ASSI { 1083}
   (( segid " 1SG" and resid 79   and name HN  ))
   (( segid " 1SG" and resid 21   and name HA  ))
      4.300     2.400     1.700 peak  1083 spectrum    1 weight  0.10000E+01 volume  0.66372E-03 ppm1      8.972 ppm2      5.495 CV     1
 ASSI { 1084}
   (( segid " 1SG" and resid 80   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      4.000     2.000     2.000 peak  1084 spectrum    1 weight  0.10000E+01 volume  0.66353E-03 ppm1      5.579 ppm2      1.174 CV     1
 ASSI { 1086}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 58   and name HA  ))
      3.600     1.600     1.600 peak  1086 spectrum    1 weight  0.10000E+01 volume  0.66268E-03 ppm1      9.017 ppm2      4.624 CV     1
 ASSI { 1088}
   (( segid " 1SG" and resid 85   and name HN  ))
   (  segid " 1SG" and resid 104  and name HD2%)
      3.800     1.800     1.800 peak  1088 spectrum    1 weight  0.10000E+01 volume  0.66112E-03 ppm1      9.407 ppm2      0.814 CV     1
 ASSI { 1092}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 72   and name HB2 ))
      4.300     2.300     1.700 peak  1092 spectrum    1 weight  0.10000E+01 volume  0.65741E-03 ppm1      9.451 ppm2      2.893 CV     1
 ASSI { 1095}
   (( segid " 1SG" and resid 90   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG1%)
      2.900     1.000     1.000 peak  1095 spectrum    1 weight  0.10000E+01 volume  0.30588E-02 ppm1      9.489 ppm2     -0.081 CV     1
 ASSI { 1099}
   (( segid " 1SG" and resid 47   and name HN  ))
   (( segid " 1SG" and resid 46   and name HD1 ))
      3.600     1.600     1.600 peak  1099 spectrum    1 weight  0.10000E+01 volume  0.64811E-03 ppm1      7.291 ppm2      7.129 CV     1
 ASSI { 1101}
   (( segid " 1SG" and resid 43   and name HN  ))
   (  segid " 1SG" and resid 42   and name HD% )
      3.700     1.700     1.700 peak  1101 spectrum    1 weight  0.10000E+01 volume  0.64688E-03 ppm1      8.628 ppm2      6.700 CV     1
 ASSI { 1102}
   (( segid " 1SG" and resid 93   and name HN  ))
   (( segid " 1SG" and resid 92   and name HN  ))
      4.100     2.100     1.900 peak  1102 spectrum    1 weight  0.10000E+01 volume  0.64647E-03 ppm1      8.556 ppm2      8.734 CV     1
 ASSI { 1103}
   (( segid " 1SG" and resid 76   and name HN  ))
   (( segid " 1SG" and resid 24   and name HN  ))
      4.500     2.500     1.500 peak  1103 spectrum    1 weight  0.10000E+01 volume  0.64078E-03 ppm1      8.925 ppm2      9.242 CV     1
 ASSI { 1105}
   (( segid " 1SG" and resid 48   and name HN  ))
   (  segid " 1SG" and resid 42   and name HD% )
      4.000     2.000     2.000 peak  1105 spectrum    1 weight  0.10000E+01 volume  0.64003E-03 ppm1      8.396 ppm2      6.693 CV     1
 ASSI { 1106}
   (( segid " 1SG" and resid 90   and name HN  ))
   (( segid " 1SG" and resid 89   and name HB2 ))
      3.900     1.900     1.900 peak  1106 spectrum    1 weight  0.10000E+01 volume  0.63995E-03 ppm1      9.488 ppm2      2.324 CV     1
 ASSI { 1107}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (( segid " 1SG" and resid 59   and name HB2 ))
      4.500     2.600     1.500 peak  1107 spectrum    1 weight  0.10000E+01 volume  0.63983E-03 ppm1     10.780 ppm2      1.690 CV     1
 OR { 1107}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (( segid " 1SG" and resid 59   and name HB1 ))
 ASSI { 1109}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 89   and name HB2 ))
      3.800     1.800     1.800 peak  1109 spectrum    1 weight  0.10000E+01 volume  0.63815E-03 ppm1      8.977 ppm2      2.309 CV     1
 ASSI { 1114}
   (( segid " 1SG" and resid 40   and name HN  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      4.800     2.800     1.200 peak  1114 spectrum    1 weight  0.10000E+01 volume  0.63233E-03 ppm1      8.695 ppm2      0.172 CV     1
 ASSI { 1115}
   (( segid " 1SG" and resid 96   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      4.000     2.000     2.000 peak  1115 spectrum    1 weight  0.10000E+01 volume  0.62937E-03 ppm1      7.545 ppm2      0.466 CV     1
 ASSI { 1116}
   (( segid " 1SG" and resid 78   and name HN  ))
   (  segid " 1SG" and resid 76   and name HG2%)
      3.900     1.900     1.900 peak  1116 spectrum    1 weight  0.10000E+01 volume  0.62645E-03 ppm1      8.055 ppm2      0.789 CV     1
 ASSI { 1117}
   (( segid " 1SG" and resid 64   and name HN  ))
   (( segid " 1SG" and resid 63   and name HB2 ))
      4.200     2.300     1.800 peak  1117 spectrum    1 weight  0.10000E+01 volume  0.62518E-03 ppm1      7.754 ppm2      2.540 CV     1
 ASSI { 1118}
   (( segid " 1SG" and resid 33   and name HN  ))
   (( segid " 1SG" and resid 32   and name HA  ))
      3.700     1.700     1.700 peak  1118 spectrum    1 weight  0.10000E+01 volume  0.62425E-03 ppm1      7.614 ppm2      4.515 CV     1
 ASSI { 1119}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 72   and name HN  ))
      4.100     2.200     1.900 peak  1119 spectrum    1 weight  0.10000E+01 volume  0.62356E-03 ppm1      9.450 ppm2      9.298 CV     1
 ASSI { 1120}
   (( segid " 1SG" and resid 50   and name HN  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      4.000     2.000     2.000 peak  1120 spectrum    1 weight  0.10000E+01 volume  0.62153E-03 ppm1      8.939 ppm2      1.056 CV     1
 ASSI { 1122}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 40   and name HD1 ))
      4.100     2.100     1.900 peak  1122 spectrum    1 weight  0.10000E+01 volume  0.61994E-03 ppm1      8.978 ppm2      1.704 CV     1
 OR { 1122}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 40   and name HD2 ))
 ASSI { 1124}
   (( segid " 1SG" and resid 84   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      4.200     2.200     1.800 peak  1124 spectrum    1 weight  0.10000E+01 volume  0.61927E-03 ppm1      7.861 ppm2      0.372 CV     1
 ASSI { 1127}
   (( segid " 1SG" and resid 30   and name HN  ))
   (  segid " 1SG" and resid 70   and name HE% )
      4.000     2.000     2.000 peak  1127 spectrum    1 weight  0.10000E+01 volume  0.61628E-03 ppm1      8.590 ppm2      6.626 CV     1
 ASSI { 1128}
   (( segid " 1SG" and resid 6    and name HN  ))
   (  segid " 1SG" and resid 6    and name HD1%)
      3.900     1.900     1.900 peak  1128 spectrum    1 weight  0.10000E+01 volume  0.61528E-03 ppm1      8.452 ppm2      0.650 CV     1
 ASSI { 1130}
   (( segid " 1SG" and resid 52   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD2%)
      4.300     2.300     1.700 peak  1130 spectrum    1 weight  0.10000E+01 volume  0.61433E-03 ppm1      7.782 ppm2      0.598 CV     1
 OR { 1130}
   (( segid " 1SG" and resid 52   and name HN  ))
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI { 1134}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 43   and name HA  ))
      3.400     1.500     1.500 peak  1134 spectrum    1 weight  0.10000E+01 volume  0.61254E-03 ppm1      8.628 ppm2      4.137 CV     1
 ASSI { 1135}
   (( segid " 1SG" and resid 102  and name HN  ))
   (  segid " 1SG" and resid 102  and name HD% )
      3.600     1.600     1.600 peak  1135 spectrum    1 weight  0.10000E+01 volume  0.61242E-03 ppm1      8.559 ppm2      6.774 CV     1
 ASSI { 1136}
   (( segid " 1SG" and resid 85   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG1%)
      4.300     2.300     1.700 peak  1136 spectrum    1 weight  0.10000E+01 volume  0.61166E-03 ppm1      9.402 ppm2      0.679 CV     1
 ASSI { 1139}
   (( segid " 1SG" and resid 97   and name HN  ))
   (  segid " 1SG" and resid 97   and name HD% )
      3.900     1.900     1.900 peak  1139 spectrum    1 weight  0.10000E+01 volume  0.61062E-03 ppm1      8.059 ppm2      7.095 CV     1
 ASSI { 1140}
   (( segid " 1SG" and resid 80   and name HN  ))
   (  segid " 1SG" and resid 83   and name HD% )
      3.800     1.800     1.800 peak  1140 spectrum    1 weight  0.10000E+01 volume  0.60965E-03 ppm1      5.578 ppm2      7.113 CV     1
 ASSI { 1147}
   (( segid " 1SG" and resid 6    and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      4.200     2.200     1.800 peak  1147 spectrum    1 weight  0.10000E+01 volume  0.60603E-03 ppm1      8.450 ppm2      0.473 CV     1
 ASSI { 1148}
   (( segid " 1SG" and resid 100  and name HN  ))
   (( segid " 1SG" and resid 100  and name HB2 ))
      3.900     1.900     1.900 peak  1148 spectrum    1 weight  0.10000E+01 volume  0.60539E-03 ppm1      8.896 ppm2      2.949 CV     1
 ASSI { 1149}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 94   and name HD1 ))
      3.400     3.400     2.600 peak  1149 spectrum    1 weight  0.10000E+01 volume  0.60426E-03 ppm1      7.966 ppm2      1.675 CV     1
 OR { 1149}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 94   and name HD2 ))
 ASSI { 1150}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 7    and name HB2 ))
      3.100     3.100     2.900 peak  1150 spectrum    1 weight  0.10000E+01 volume  0.60404E-03 ppm1      7.886 ppm2      2.575 CV     1
 ASSI { 1153}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 49   and name HB2 ))
      4.200     2.200     1.800 peak  1153 spectrum    1 weight  0.10000E+01 volume  0.60012E-03 ppm1      6.765 ppm2      1.541 CV     1
 ASSI { 1154}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 104  and name HG  ))
      4.300     2.400     1.700 peak  1154 spectrum    1 weight  0.10000E+01 volume  0.59969E-03 ppm1      8.795 ppm2      1.331 CV     1
 ASSI { 1155}
   (( segid " 1SG" and resid 17   and name HN  ))
   (( segid " 1SG" and resid 20   and name HA1 ))
      3.600     1.600     1.600 peak  1155 spectrum    1 weight  0.10000E+01 volume  0.59773E-03 ppm1      7.901 ppm2      3.729 CV     1
 ASSI { 1156}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 94   and name HA  ))
      4.600     2.600     1.400 peak  1156 spectrum    1 weight  0.10000E+01 volume  0.59768E-03 ppm1      7.545 ppm2      4.046 CV     1
 ASSI { 1159}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (  segid " 1SG" and resid 47   and name HG2%)
      4.200     2.200     1.800 peak  1159 spectrum    1 weight  0.10000E+01 volume  0.59695E-03 ppm1     10.119 ppm2      0.784 CV     1
 ASSI { 1160}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 29   and name HN  ))
      4.100     2.100     1.900 peak  1160 spectrum    1 weight  0.10000E+01 volume  0.59602E-03 ppm1      9.673 ppm2      8.869 CV     1
 ASSI { 1161}
   (( segid " 1SG" and resid 21   and name HN  ))
   (( segid " 1SG" and resid 77   and name HA  ))
      4.700     2.700     1.300 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.59555E-03 ppm1      8.164 ppm2      4.654 CV     1
 ASSI { 1162}
   (( segid " 1SG" and resid 64   and name HN  ))
   (( segid " 1SG" and resid 68   and name HN  ))
      4.100     2.100     1.900 peak  1162 spectrum    1 weight  0.10000E+01 volume  0.59496E-03 ppm1      7.762 ppm2      7.885 CV     1
 ASSI { 1163}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 48   and name HB2 ))
      4.400     2.400     1.600 peak  1163 spectrum    1 weight  0.10000E+01 volume  0.59462E-03 ppm1      9.289 ppm2      2.942 CV     1
 ASSI { 1166}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 104  and name HB2 ))
      4.800     2.800     1.200 peak  1166 spectrum    1 weight  0.10000E+01 volume  0.59292E-03 ppm1      8.397 ppm2      1.239 CV     1
 ASSI { 1167}
   (( segid " 1SG" and resid 8    and name HN  ))
   (  segid " 1SG" and resid 7    and name HD% )
      4.600     2.600     1.400 peak  1167 spectrum    1 weight  0.10000E+01 volume  0.59167E-03 ppm1      9.051 ppm2      7.309 CV     1
 ASSI { 1168}
   (( segid " 1SG" and resid 67   and name HN  ))
   (  segid " 1SG" and resid 69   and name HG1%)
      4.400     2.400     1.600 peak  1168 spectrum    1 weight  0.10000E+01 volume  0.59159E-03 ppm1      7.424 ppm2      0.850 CV     1
 OR { 1168}
   (( segid " 1SG" and resid 67   and name HN  ))
   (  segid " 1SG" and resid 69   and name HG2%)
 ASSI { 1170}
   (( segid " 1SG" and resid 12   and name HE21))
   (  segid " 1SG" and resid 102  and name HE% )
      4.200     2.300     1.800 peak  1170 spectrum    1 weight  0.10000E+01 volume  0.59102E-03 ppm1      7.462 ppm2      7.083 CV     1
 ASSI { 1172}
   (( segid " 1SG" and resid 86   and name HN  ))
   (( segid " 1SG" and resid 85   and name HN  ))
      4.300     2.300     1.700 peak  1172 spectrum    1 weight  0.10000E+01 volume  0.59086E-03 ppm1      7.948 ppm2      9.406 CV     1
 ASSI { 1173}
   (( segid " 1SG" and resid 90   and name HN  ))
   (( segid " 1SG" and resid 41   and name HA  ))
      4.200     2.200     1.800 peak  1173 spectrum    1 weight  0.10000E+01 volume  0.58925E-03 ppm1      9.490 ppm2      5.471 CV     1
 ASSI { 1174}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB2 ))
      4.800     2.800     1.200 peak  1174 spectrum    1 weight  0.10000E+01 volume  0.58918E-03 ppm1      7.198 ppm2      2.395 CV     1
 OR { 1174}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB1 ))
 ASSI { 1175}
   (( segid " 1SG" and resid 60   and name HN  ))
   (( segid " 1SG" and resid 73   and name HB2 ))
      3.700     1.700     1.700 peak  1175 spectrum    1 weight  0.10000E+01 volume  0.58917E-03 ppm1      8.688 ppm2      1.552 CV     1
 ASSI { 1177}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 43   and name HD1 ))
      4.700     2.700     1.300 peak  1177 spectrum    1 weight  0.10000E+01 volume  0.58856E-03 ppm1      8.632 ppm2      1.317 CV     1
 OR { 1177}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 43   and name HD2 ))
 ASSI { 1181}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 99   and name HB2 ))
      4.000     2.000     2.000 peak  1181 spectrum    1 weight  0.10000E+01 volume  0.58563E-03 ppm1      9.230 ppm2      2.737 CV     1
 ASSI { 1183}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HA  ))
      3.500     1.500     1.500 peak  1183 spectrum    1 weight  0.10000E+01 volume  0.58541E-03 ppm1      8.888 ppm2      5.828 CV     1
 ASSI { 1187}
   (( segid " 1SG" and resid 17   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      4.300     2.300     1.700 peak  1187 spectrum    1 weight  0.10000E+01 volume  0.58453E-03 ppm1      7.900 ppm2      1.179 CV     1
 ASSI { 1192}
   (( segid " 1SG" and resid 9    and name HN  ))
   (  segid " 1SG" and resid 7    and name HD% )
      4.100     2.100     1.900 peak  1192 spectrum    1 weight  0.10000E+01 volume  0.58263E-03 ppm1      7.892 ppm2      7.309 CV     1
 ASSI { 1193}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 96   and name HG1 ))
      4.100     2.100     1.900 peak  1193 spectrum    1 weight  0.10000E+01 volume  0.58031E-03 ppm1      7.973 ppm2      1.317 CV     1
 OR { 1193}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 96   and name HG2 ))
 ASSI { 1194}
   (( segid " 1SG" and resid 60   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD2%)
      4.300     2.400     1.700 peak  1194 spectrum    1 weight  0.10000E+01 volume  0.57860E-03 ppm1      8.688 ppm2      0.407 CV     1
 OR { 1194}
   (( segid " 1SG" and resid 60   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI { 1199}
   (( segid " 1SG" and resid 70   and name HN  ))
   (( segid " 1SG" and resid 29   and name HA  ))
      4.000     2.000     2.000 peak  1199 spectrum    1 weight  0.10000E+01 volume  0.57804E-03 ppm1      9.269 ppm2      4.385 CV     1
 ASSI { 1201}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 81   and name HA  ))
      4.700     2.800     1.300 peak  1201 spectrum    1 weight  0.10000E+01 volume  0.57686E-03 ppm1      8.150 ppm2      3.988 CV     1
 ASSI { 1205}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (  segid " 1SG" and resid 74   and name HD2%)
      4.000     2.000     2.000 peak  1205 spectrum    1 weight  0.10000E+01 volume  0.57582E-03 ppm1     10.782 ppm2      0.402 CV     1
 OR { 1205}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI { 1207}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 49   and name HB2 ))
      3.600     1.600     1.600 peak  1207 spectrum    1 weight  0.10000E+01 volume  0.57461E-03 ppm1      8.941 ppm2      1.554 CV     1
 ASSI { 1210}
   (( segid " 1SG" and resid 29   and name HN  ))
   (( segid " 1SG" and resid 28   and name HB  ))
      4.100     2.100     1.900 peak  1210 spectrum    1 weight  0.10000E+01 volume  0.57187E-03 ppm1      8.854 ppm2      1.961 CV     1
 ASSI { 1211}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 82   and name HN  ))
      3.500     1.500     1.500 peak  1211 spectrum    1 weight  0.10000E+01 volume  0.57172E-03 ppm1      8.254 ppm2      8.025 CV     1
 ASSI { 1214}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 15   and name HB1 ))
      4.600     2.700     1.400 peak  1214 spectrum    1 weight  0.10000E+01 volume  0.56840E-03 ppm1      8.404 ppm2      2.024 CV     1
 OR { 1214}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 15   and name HB2 ))
 ASSI { 1217}
   (( segid " 1SG" and resid 76   and name HN  ))
   (( segid " 1SG" and resid 77   and name HN  ))
      4.100     2.100     1.900 peak  1217 spectrum    1 weight  0.10000E+01 volume  0.56667E-03 ppm1      8.925 ppm2      8.720 CV     1
 ASSI { 1218}
   (( segid " 1SG" and resid 80   and name HE21))
   (( segid " 1SG" and resid 80   and name HA  ))
      4.700     2.800     1.300 peak  1218 spectrum    1 weight  0.10000E+01 volume  0.56566E-03 ppm1      6.979 ppm2      4.637 CV     1
 ASSI { 1219}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 26   and name HN  ))
      4.300     2.300     1.700 peak  1219 spectrum    1 weight  0.10000E+01 volume  0.56551E-03 ppm1      8.401 ppm2      9.500 CV     1
 ASSI { 1222}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 93   and name HB  ))
      3.600     1.600     1.600 peak  1222 spectrum    1 weight  0.10000E+01 volume  0.56339E-03 ppm1      7.972 ppm2      4.556 CV     1
 ASSI { 1223}
   (( segid " 1SG" and resid 98   and name HN  ))
   (( segid " 1SG" and resid 97   and name HB2 ))
      4.000     2.000     2.000 peak  1223 spectrum    1 weight  0.10000E+01 volume  0.56302E-03 ppm1      8.414 ppm2      2.674 CV     1
 ASSI { 1224}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 68   and name HG2 ))
      5.100     3.300     0.900 peak  1224 spectrum    1 weight  0.10000E+01 volume  0.56270E-03 ppm1      7.423 ppm2      1.256 CV     1
 OR { 1224}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 68   and name HG1 ))
 ASSI { 1225}
   (( segid " 1SG" and resid 96   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD1%)
      4.200     2.200     1.800 peak  1225 spectrum    1 weight  0.10000E+01 volume  0.56225E-03 ppm1      7.544 ppm2      0.653 CV     1
 ASSI { 1226}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 60   and name HB2 ))
      3.700     1.700     1.700 peak  1226 spectrum    1 weight  0.10000E+01 volume  0.56107E-03 ppm1      9.449 ppm2      2.977 CV     1
 ASSI { 1228}
   (( segid " 1SG" and resid 108  and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.100     1.200     1.200 peak  1228 spectrum    1 weight  0.10000E+01 volume  0.55876E-03 ppm1      8.564 ppm2      0.370 CV     1
 ASSI { 1230}
   (( segid " 1SG" and resid 30   and name HN  ))
   (( segid " 1SG" and resid 70   and name HN  ))
      3.900     1.900     1.900 peak  1230 spectrum    1 weight  0.10000E+01 volume  0.55632E-03 ppm1      8.593 ppm2      9.275 CV     1
 ASSI { 1231}
   (( segid " 1SG" and resid 25   and name HN  ))
   (( segid " 1SG" and resid 24   and name HN  ))
      4.300     2.300     1.700 peak  1231 spectrum    1 weight  0.10000E+01 volume  0.55621E-03 ppm1      8.400 ppm2      9.240 CV     1
 ASSI { 1232}
   (( segid " 1SG" and resid 83   and name HN  ))
   (  segid " 1SG" and resid 83   and name HE% )
      5.200     3.300     0.800 peak  1232 spectrum    1 weight  0.10000E+01 volume  0.55610E-03 ppm1      8.256 ppm2      7.263 CV     1
 ASSI { 1238}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 58   and name HG2 ))
      4.600     2.600     1.400 peak  1238 spectrum    1 weight  0.10000E+01 volume  0.55259E-03 ppm1      9.148 ppm2      1.803 CV     1
 ASSI { 1239}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 40   and name HD1 ))
      4.100     2.100     1.900 peak  1239 spectrum    1 weight  0.10000E+01 volume  0.55123E-03 ppm1      9.110 ppm2      1.698 CV     1
 OR { 1239}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 40   and name HD2 ))
 ASSI { 1241}
   (( segid " 1SG" and resid 108  and name HN  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      4.200     2.200     1.800 peak  1241 spectrum    1 weight  0.10000E+01 volume  0.55091E-03 ppm1      8.565 ppm2      1.285 CV     1
 ASSI { 1245}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 41   and name HD1 ))
      4.100     2.100     1.900 peak  1245 spectrum    1 weight  0.10000E+01 volume  0.54931E-03 ppm1      8.690 ppm2      7.122 CV     1
 ASSI { 1247}
   (( segid " 1SG" and resid 58   and name HE22))
   (( segid " 1SG" and resid 77   and name HB  ))
      4.400     2.400     1.600 peak  1247 spectrum    1 weight  0.10000E+01 volume  0.54870E-03 ppm1      6.686 ppm2      4.009 CV     1
 ASSI { 1249}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 7    and name HB2 ))
      3.200     3.200     2.800 peak  1249 spectrum    1 weight  0.10000E+01 volume  0.54806E-03 ppm1      9.229 ppm2      2.578 CV     1
 ASSI { 1250}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 77   and name HN  ))
      5.000     3.100     1.000 peak  1250 spectrum    1 weight  0.10000E+01 volume  0.54780E-03 ppm1      8.944 ppm2      8.717 CV     1
 ASSI { 1253}
   (( segid " 1SG" and resid 39   and name HN  ))
   (  segid " 1SG" and resid 72   and name HE% )
      4.000     2.000     2.000 peak  1253 spectrum    1 weight  0.10000E+01 volume  0.54670E-03 ppm1      7.893 ppm2      7.055 CV     1
 ASSI { 1258}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 74   and name HN  ))
      4.300     2.300     1.700 peak  1258 spectrum    1 weight  0.10000E+01 volume  0.54374E-03 ppm1      9.450 ppm2      8.472 CV     1
 ASSI { 1260}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 42   and name HB2 ))
      4.500     2.600     1.500 peak  1260 spectrum    1 weight  0.10000E+01 volume  0.54282E-03 ppm1      9.287 ppm2      2.479 CV     1
 ASSI { 1264}
   (( segid " 1SG" and resid 80   and name HE22))
   (( segid " 1SG" and resid 80   and name HA  ))
      6.000     4.700     0.000 peak  1264 spectrum    1 weight  0.10000E+01 volume  0.53950E-03 ppm1      6.643 ppm2      4.635 CV     1
 ASSI { 1268}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 89   and name HA  ))
      3.600     1.600     1.600 peak  1268 spectrum    1 weight  0.10000E+01 volume  0.53865E-03 ppm1      8.977 ppm2      4.944 CV     1
 ASSI { 1269}
   (( segid " 1SG" and resid 73   and name HN  ))
   (  segid " 1SG" and resid 71   and name HD1%)
      4.100     2.100     1.900 peak  1269 spectrum    1 weight  0.10000E+01 volume  0.53858E-03 ppm1      9.452 ppm2      0.839 CV     1
 ASSI { 1270}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 57   and name HG  ))
      4.200     2.200     1.800 peak  1270 spectrum    1 weight  0.10000E+01 volume  0.53839E-03 ppm1      9.018 ppm2      0.750 CV     1
 ASSI { 1272}
   (( segid " 1SG" and resid 53   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD1%)
      4.400     2.400     1.600 peak  1272 spectrum    1 weight  0.10000E+01 volume  0.53770E-03 ppm1      6.765 ppm2      0.861 CV     1
 ASSI { 1273}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 98   and name HB2 ))
      4.700     2.800     1.300 peak  1273 spectrum    1 weight  0.10000E+01 volume  0.53732E-03 ppm1      9.229 ppm2      2.289 CV     1
 ASSI { 1274}
   (( segid " 1SG" and resid 16   and name HN  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      4.400     2.400     1.600 peak  1274 spectrum    1 weight  0.10000E+01 volume  0.53702E-03 ppm1      8.594 ppm2      1.286 CV     1
 ASSI { 1276}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 71   and name HA  ))
      3.900     1.900     1.900 peak  1276 spectrum    1 weight  0.10000E+01 volume  0.53652E-03 ppm1      9.674 ppm2      5.062 CV     1
 ASSI { 1277}
   (( segid " 1SG" and resid 76   and name HN  ))
   (( segid " 1SG" and resid 75   and name HN  ))
      4.100     2.100     1.900 peak  1277 spectrum    1 weight  0.10000E+01 volume  0.53641E-03 ppm1      8.928 ppm2      9.150 CV     1
 ASSI { 1285}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 17   and name HN  ))
      3.800     1.800     1.800 peak  1285 spectrum    1 weight  0.10000E+01 volume  0.52935E-03 ppm1      8.829 ppm2      7.897 CV     1
 ASSI { 1286}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 65   and name HA  ))
      4.000     2.000     2.000 peak  1286 spectrum    1 weight  0.10000E+01 volume  0.52932E-03 ppm1      7.422 ppm2      3.445 CV     1
 ASSI { 1287}
   (( segid " 1SG" and resid 22   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      4.300     2.300     1.700 peak  1287 spectrum    1 weight  0.10000E+01 volume  0.52930E-03 ppm1      8.892 ppm2      1.182 CV     1
 ASSI { 1288}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 67   and name HA  ))
      4.900     3.000     1.100 peak  1288 spectrum    1 weight  0.10000E+01 volume  0.52898E-03 ppm1      8.107 ppm2      4.299 CV     1
 ASSI { 1290}
   (( segid " 1SG" and resid 70   and name HN  ))
   (( segid " 1SG" and resid 28   and name HB  ))
      3.700     1.700     1.700 peak  1290 spectrum    1 weight  0.10000E+01 volume  0.52881E-03 ppm1      9.273 ppm2      1.954 CV     1
 ASSI { 1292}
   (( segid " 1SG" and resid 101  and name HD22))
   (( segid " 1SG" and resid 101  and name HB2 ))
      4.600     2.700     1.400 peak  1292 spectrum    1 weight  0.10000E+01 volume  0.52703E-03 ppm1      6.724 ppm2      2.692 CV     1
 ASSI { 1295}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 83   and name HA  ))
      4.100     2.100     1.900 peak  1295 spectrum    1 weight  0.10000E+01 volume  0.52489E-03 ppm1     10.109 ppm2      4.613 CV     1
 ASSI { 1296}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB2 ))
      4.500     2.600     1.500 peak  1296 spectrum    1 weight  0.10000E+01 volume  0.52481E-03 ppm1      9.024 ppm2      2.399 CV     1
 OR { 1296}
   (( segid " 1SG" and resid 54   and name HN  ))
   (( segid " 1SG" and resid 58   and name HB1 ))
 ASSI { 1298}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 37   and name HB2 ))
      3.700     1.700     1.700 peak  1298 spectrum    1 weight  0.10000E+01 volume  0.52439E-03 ppm1      8.737 ppm2      1.365 CV     1
 ASSI { 1302}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 84   and name HA  ))
      4.000     2.000     2.000 peak  1302 spectrum    1 weight  0.10000E+01 volume  0.52304E-03 ppm1      8.799 ppm2      4.230 CV     1
 OR { 1302}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 84   and name HB  ))
 ASSI { 1306}
   (( segid " 1SG" and resid 40   and name HN  ))
   (  segid " 1SG" and resid 38   and name HG2%)
      4.600     2.600     1.400 peak  1306 spectrum    1 weight  0.10000E+01 volume  0.52005E-03 ppm1      8.688 ppm2      0.784 CV     1
 ASSI { 1309}
   (( segid " 1SG" and resid 48   and name HN  ))
   (( segid " 1SG" and resid 47   and name HN  ))
      4.300     2.300     1.700 peak  1309 spectrum    1 weight  0.10000E+01 volume  0.51838E-03 ppm1      8.396 ppm2      7.292 CV     1
 ASSI { 1310}
   (( segid " 1SG" and resid 93   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD1%)
      4.000     2.000     2.000 peak  1310 spectrum    1 weight  0.10000E+01 volume  0.51825E-03 ppm1      8.555 ppm2      0.652 CV     1
 ASSI { 1311}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 46   and name HB2 ))
      4.400     2.400     1.600 peak  1311 spectrum    1 weight  0.10000E+01 volume  0.51799E-03 ppm1     10.115 ppm2      3.057 CV     1
 ASSI { 1313}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 107  and name HN  ))
      4.600     2.600     1.400 peak  1313 spectrum    1 weight  0.10000E+01 volume  0.51686E-03 ppm1      8.148 ppm2      8.823 CV     1
 ASSI { 1314}
   (( segid " 1SG" and resid 42   and name HN  ))
   (( segid " 1SG" and resid 41   and name HN  ))
      4.600     2.600     1.400 peak  1314 spectrum    1 weight  0.10000E+01 volume  0.51567E-03 ppm1      9.445 ppm2      9.310 CV     1
 ASSI { 1315}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 101  and name HA  ))
      4.300     2.300     1.700 peak  1315 spectrum    1 weight  0.10000E+01 volume  0.51558E-03 ppm1      8.979 ppm2      5.507 CV     1
 ASSI { 1317}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 45   and name HA  ))
      3.200     3.200     2.800 peak  1317 spectrum    1 weight  0.10000E+01 volume  0.51370E-03 ppm1     10.118 ppm2      3.497 CV     1
 ASSI { 1319}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 57   and name HA  ))
      4.100     2.100     1.900 peak  1319 spectrum    1 weight  0.10000E+01 volume  0.51295E-03 ppm1      9.150 ppm2      5.401 CV     1
 ASSI { 1320}
   (( segid " 1SG" and resid 46   and name HE1 ))
   (( segid " 1SG" and resid 45   and name HE2 ))
      4.000     2.000     2.000 peak  1320 spectrum    1 weight  0.10000E+01 volume  0.51273E-03 ppm1     10.108 ppm2      2.594 CV     1
 ASSI { 1323}
   (( segid " 1SG" and resid 58   and name HE21))
   (( segid " 1SG" and resid 58   and name HA  ))
      3.800     1.800     1.800 peak  1323 spectrum    1 weight  0.10000E+01 volume  0.51135E-03 ppm1      7.436 ppm2      4.650 CV     1
 ASSI { 1325}
   (( segid " 1SG" and resid 10   and name HN  ))
   (( segid " 1SG" and resid 10   and name HA  ))
      3.600     1.600     1.600 peak  1325 spectrum    1 weight  0.10000E+01 volume  0.50980E-03 ppm1      8.852 ppm2      4.315 CV     1
 ASSI { 1332}
   (( segid " 1SG" and resid 80   and name HN  ))
   (( segid " 1SG" and resid 80   and name HG1 ))
      3.800     1.800     1.800 peak  1332 spectrum    1 weight  0.10000E+01 volume  0.50658E-03 ppm1      5.579 ppm2      2.159 CV     1
 OR { 1332}
   (( segid " 1SG" and resid 80   and name HN  ))
   (( segid " 1SG" and resid 80   and name HG2 ))
 ASSI { 1333}
   (( segid " 1SG" and resid 21   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      4.300     2.300     1.700 peak  1333 spectrum    1 weight  0.10000E+01 volume  0.50594E-03 ppm1      8.168 ppm2      1.177 CV     1
 ASSI { 1335}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 89   and name HA  ))
      4.400     2.400     1.600 peak  1335 spectrum    1 weight  0.10000E+01 volume  0.50471E-03 ppm1      8.689 ppm2      4.943 CV     1
 ASSI { 1341}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 88   and name HA  ))
      3.600     1.600     1.600 peak  1341 spectrum    1 weight  0.10000E+01 volume  0.49983E-03 ppm1      9.108 ppm2      5.308 CV     1
 ASSI { 1347}
   (( segid " 1SG" and resid 29   and name HN  ))
   (( segid " 1SG" and resid 30   and name HN  ))
      3.300     1.400     1.400 peak  1347 spectrum    1 weight  0.10000E+01 volume  0.30510E-02 ppm1      8.854 ppm2      8.595 CV     1
 ASSI { 1348}
   (( segid " 1SG" and resid 102  and name HN  ))
   (( segid " 1SG" and resid 103  and name HN  ))
      3.300     1.300     1.300 peak  1348 spectrum    1 weight  0.10000E+01 volume  0.30527E-02 ppm1      8.557 ppm2      9.245 CV     1
 ASSI { 1349}
   (( segid " 1SG" and resid 42   and name HN  ))
   (( segid " 1SG" and resid 42   and name HA  ))
      2.700     0.900     0.900 peak  1349 spectrum    1 weight  0.10000E+01 volume  0.30510E-02 ppm1      9.447 ppm2      5.780 CV     1
 ASSI { 1351}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 14   and name HN  ))
      3.200     1.300     1.300 peak  1351 spectrum    1 weight  0.10000E+01 volume  0.30510E-02 ppm1      8.317 ppm2      9.191 CV     1
 ASSI { 1352}
   (( segid " 1SG" and resid 94   and name HN  ))
   (( segid " 1SG" and resid 94   and name HB2 ))
      3.300     1.300     1.300 peak  1352 spectrum    1 weight  0.10000E+01 volume  0.30510E-02 ppm1      8.330 ppm2      1.778 CV     1
 ASSI { 1353}
   (( segid " 1SG" and resid 93   and name HN  ))
   (( segid " 1SG" and resid 93   and name HB  ))
      2.900     1.000     1.000 peak  1353 spectrum    1 weight  0.10000E+01 volume  0.30510E-02 ppm1      8.558 ppm2      4.550 CV     1
 ASSI { 1354}
   (( segid " 1SG" and resid 5    and name HN  ))
   (( segid " 1SG" and resid 5    and name HA2 ))
      2.700     0.900     0.900 peak  1354 spectrum    1 weight  0.10000E+01 volume  0.30510E-02 ppm1      8.141 ppm2      3.855 CV     1
 OR { 1354}
   (( segid " 1SG" and resid 5    and name HN  ))
   (( segid " 1SG" and resid 5    and name HA1 ))
 ASSI { 1356}
   (( segid " 1SG" and resid 56   and name HN  ))
   (( segid " 1SG" and resid 56   and name HA  ))
      2.800     1.000     1.000 peak  1356 spectrum    1 weight  0.10000E+01 volume  0.30510E-02 ppm1      8.385 ppm2      4.970 CV     1
 ASSI { 1358}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 8    and name HN  ))
      2.700     0.900     0.900 peak  1358 spectrum    1 weight  0.10000E+01 volume  0.30510E-02 ppm1      7.892 ppm2      9.052 CV     1
 ASSI { 1360}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 98   and name HN  ))
      3.400     1.400     1.400 peak  1360 spectrum    1 weight  0.10000E+01 volume  0.30510E-02 ppm1      8.056 ppm2      8.423 CV     1
 ASSI { 1361}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 104  and name HN  ))
      3.300     1.400     1.400 peak  1361 spectrum    1 weight  0.10000E+01 volume  0.30527E-02 ppm1      9.242 ppm2      8.788 CV     1
 ASSI { 1362}
   (( segid " 1SG" and resid 97   and name HN  ))
   (( segid " 1SG" and resid 96   and name HN  ))
      3.200     1.300     1.300 peak  1362 spectrum    1 weight  0.10000E+01 volume  0.30510E-02 ppm1      8.059 ppm2      7.543 CV     1
 ASSI { 1365}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 35   and name HB2 ))
      3.100     1.200     1.200 peak  1365 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      7.510 ppm2      1.779 CV     1
 OR { 1365}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 35   and name HB1 ))
 ASSI { 1366}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 35   and name HE2 ))
      3.600     1.600     1.600 peak  1366 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      7.510 ppm2      2.950 CV     1
 OR { 1366}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 35   and name HE1 ))
 ASSI { 1367}
   (( segid " 1SG" and resid 45   and name HN  ))
   (( segid " 1SG" and resid 45   and name HA  ))
      2.700     0.900     0.900 peak  1367 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      8.196 ppm2      3.486 CV     1
 ASSI { 1369}
   (( segid " 1SG" and resid 45   and name HN  ))
   (( segid " 1SG" and resid 45   and name HB2 ))
      2.500     0.800     0.800 peak  1369 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      8.195 ppm2      0.606 CV     1
 OR { 1369}
   (( segid " 1SG" and resid 45   and name HN  ))
   (( segid " 1SG" and resid 45   and name HG2 ))
 ASSI { 1371}
   (( segid " 1SG" and resid 94   and name HN  ))
   (( segid " 1SG" and resid 94   and name HA  ))
      2.700     0.900     0.900 peak  1371 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      8.337 ppm2      4.042 CV     1
 ASSI { 1373}
   (( segid " 1SG" and resid 18   and name HN  ))
   (  segid " 1SG" and resid 18   and name HG1%)
      3.000     1.100     1.100 peak  1373 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      8.005 ppm2      0.992 CV     1
 ASSI { 1374}
   (( segid " 1SG" and resid 53   and name HN  ))
   (  segid " 1SG" and resid 53   and name HG1%)
      3.100     1.200     1.200 peak  1374 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      6.764 ppm2      1.120 CV     1
 ASSI { 1376}
   (( segid " 1SG" and resid 78   and name HN  ))
   (( segid " 1SG" and resid 21   and name HB2 ))
      3.600     1.600     1.600 peak  1376 spectrum    1 weight  0.10000E+01 volume  0.30527E-02 ppm1      8.053 ppm2      3.751 CV     1
 ASSI { 1379}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 62   and name HN  ))
      3.500     1.600     1.600 peak  1379 spectrum    1 weight  0.10000E+01 volume  0.30510E-02 ppm1      9.447 ppm2      8.851 CV     1
 ASSI { 1380}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 64   and name HN  ))
      3.500     1.500     1.500 peak  1380 spectrum    1 weight  0.10000E+01 volume  0.30510E-02 ppm1      8.721 ppm2      7.751 CV     1
 ASSI { 1381}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 87   and name HN  ))
      3.200     1.300     1.300 peak  1381 spectrum    1 weight  0.10000E+01 volume  0.30510E-02 ppm1      8.792 ppm2      9.113 CV     1
 ASSI { 1384}
   (( segid " 1SG" and resid 98   and name HN  ))
   (( segid " 1SG" and resid 98   and name HA  ))
      2.800     1.000     1.000 peak  1384 spectrum    1 weight  0.10000E+01 volume  0.30510E-02 ppm1      8.417 ppm2      4.696 CV     1
 ASSI { 1385}
   (( segid " 1SG" and resid 80   and name HN  ))
   (( segid " 1SG" and resid 80   and name HA  ))
      2.700     0.900     0.900 peak  1385 spectrum    1 weight  0.10000E+01 volume  0.30510E-02 ppm1      5.581 ppm2      4.644 CV     1
 ASSI { 1386}
   (( segid " 1SG" and resid 12   and name HN  ))
   (( segid " 1SG" and resid 12   and name HA  ))
      2.700     0.900     0.900 peak  1386 spectrum    1 weight  0.10000E+01 volume  0.30510E-02 ppm1      8.345 ppm2      4.679 CV     1
 ASSI { 1391}
   (( segid " 1SG" and resid 101  and name HN  ))
   (( segid " 1SG" and resid 101  and name HA  ))
      2.700     0.900     0.900 peak  1391 spectrum    1 weight  0.10000E+01 volume  0.30510E-02 ppm1      9.044 ppm2      5.506 CV     1
 ASSI { 1393}
   (( segid " 1SG" and resid 91   and name HN  ))
   (( segid " 1SG" and resid 90   and name HA  ))
      2.600     0.800     0.800 peak  1393 spectrum    1 weight  0.10000E+01 volume  0.30510E-02 ppm1      8.474 ppm2      4.789 CV     1
 ASSI { 1395}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 49   and name HN  ))
      2.900     1.100     1.100 peak  1395 spectrum    1 weight  0.10000E+01 volume  0.30510E-02 ppm1      8.632 ppm2      9.291 CV     1
 ASSI { 1397}
   (( segid " 1SG" and resid 33   and name HN  ))
   (( segid " 1SG" and resid 33   and name HA  ))
      2.800     1.000     1.000 peak  1397 spectrum    1 weight  0.10000E+01 volume  0.30510E-02 ppm1      7.614 ppm2      4.456 CV     1
 ASSI { 1398}
   (( segid " 1SG" and resid 41   and name HN  ))
   (( segid " 1SG" and resid 40   and name HN  ))
      3.300     1.400     1.400 peak  1398 spectrum    1 weight  0.10000E+01 volume  0.30510E-02 ppm1      9.308 ppm2      8.696 CV     1
 ASSI { 1399}
   (( segid " 1SG" and resid 6    and name HN  ))
   (( segid " 1SG" and resid 5    and name HN  ))
      2.700     0.900     0.900 peak  1399 spectrum    1 weight  0.10000E+01 volume  0.30527E-02 ppm1      8.450 ppm2      8.143 CV     1
 ASSI { 1400}
   (( segid " 1SG" and resid 8    and name HN  ))
   (( segid " 1SG" and resid 29   and name HN  ))
      3.000     1.100     1.100 peak  1400 spectrum    1 weight  0.10000E+01 volume  0.30527E-02 ppm1      9.053 ppm2      8.853 CV     1
 ASSI { 1401}
   (( segid " 1SG" and resid 7    and name HN  ))
   (( segid " 1SG" and resid 8    and name HN  ))
      3.200     1.200     1.200 peak  1401 spectrum    1 weight  0.10000E+01 volume  0.30527E-02 ppm1      8.874 ppm2      9.052 CV     1
 ASSI { 1403}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 103  and name HN  ))
      3.000     1.100     1.100 peak  1403 spectrum    1 weight  0.10000E+01 volume  0.30527E-02 ppm1      8.312 ppm2      9.240 CV     1
 ASSI { 1406}
   (( segid " 1SG" and resid 49   and name HN  ))
   (( segid " 1SG" and resid 48   and name HN  ))
      3.200     1.300     1.300 peak  1406 spectrum    1 weight  0.10000E+01 volume  0.30527E-02 ppm1      9.290 ppm2      8.397 CV     1
 ASSI { 1407}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 50   and name HN  ))
      3.200     1.300     1.300 peak  1407 spectrum    1 weight  0.10000E+01 volume  0.30527E-02 ppm1      7.786 ppm2      8.941 CV     1
 ASSI { 1408}
   (( segid " 1SG" and resid 53   and name HN  ))
   (( segid " 1SG" and resid 51   and name HN  ))
      3.500     1.500     1.500 peak  1408 spectrum    1 weight  0.10000E+01 volume  0.30527E-02 ppm1      6.764 ppm2      7.881 CV     1
 ASSI { 1409}
   (( segid " 1SG" and resid 52   and name HN  ))
   (( segid " 1SG" and resid 51   and name HA  ))
      3.000     1.100     1.100 peak  1409 spectrum    1 weight  0.10000E+01 volume  0.30527E-02 ppm1      7.784 ppm2      4.557 CV     1
 ASSI { 1411}
   (( segid " 1SG" and resid 57   and name HN  ))
   (( segid " 1SG" and resid 58   and name HN  ))
      3.200     1.300     1.300 peak  1411 spectrum    1 weight  0.10000E+01 volume  0.30527E-02 ppm1      7.198 ppm2      8.954 CV     1
 ASSI { 1412}
   (( segid " 1SG" and resid 75   and name HN  ))
   (( segid " 1SG" and resid 60   and name HN  ))
      3.100     1.200     1.200 peak  1412 spectrum    1 weight  0.10000E+01 volume  0.30527E-02 ppm1      9.151 ppm2      8.693 CV     1
 ASSI { 1413}
   (( segid " 1SG" and resid 65   and name HN  ))
   (( segid " 1SG" and resid 64   and name HN  ))
      3.300     1.400     1.400 peak  1413 spectrum    1 weight  0.10000E+01 volume  0.30527E-02 ppm1      8.305 ppm2      7.754 CV     1
 ASSI { 1414}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 70   and name HN  ))
      3.400     1.400     1.400 peak  1414 spectrum    1 weight  0.10000E+01 volume  0.30527E-02 ppm1      8.724 ppm2      9.271 CV     1
 ASSI { 1417}
   (( segid " 1SG" and resid 72   and name HN  ))
   (( segid " 1SG" and resid 28   and name HN  ))
      3.300     1.400     1.400 peak  1417 spectrum    1 weight  0.10000E+01 volume  0.30527E-02 ppm1      9.295 ppm2      9.670 CV     1
 ASSI { 1419}
   (( segid " 1SG" and resid 76   and name HN  ))
   (( segid " 1SG" and resid 76   and name HA  ))
      2.500     0.800     0.800 peak  1419 spectrum    1 weight  0.10000E+01 volume  0.30527E-02 ppm1      8.925 ppm2      4.988 CV     1
 ASSI { 1420}
   (( segid " 1SG" and resid 84   and name HN  ))
   (( segid " 1SG" and resid 83   and name HA  ))
      2.700     0.900     0.900 peak  1420 spectrum    1 weight  0.10000E+01 volume  0.30527E-02 ppm1      7.866 ppm2      4.601 CV     1
 ASSI { 1422}
   (( segid " 1SG" and resid 89   and name HN  ))
   (( segid " 1SG" and resid 100  and name HN  ))
      2.700     0.900     0.900 peak  1422 spectrum    1 weight  0.10000E+01 volume  0.30527E-02 ppm1      8.979 ppm2      8.906 CV     1
 ASSI { 1423}
   (( segid " 1SG" and resid 91   and name HN  ))
   (( segid " 1SG" and resid 91   and name HA  ))
      2.600     0.900     0.900 peak  1423 spectrum    1 weight  0.10000E+01 volume  0.30527E-02 ppm1      8.474 ppm2      4.739 CV     1
 ASSI { 1426}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 15   and name HA  ))
      2.600     0.800     0.800 peak  1426 spectrum    1 weight  0.10000E+01 volume  0.30527E-02 ppm1      8.399 ppm2      5.489 CV     1
 ASSI { 1428}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 104  and name HN  ))
      3.200     1.300     1.300 peak  1428 spectrum    1 weight  0.10000E+01 volume  0.30527E-02 ppm1      8.400 ppm2      8.792 CV     1
 ASSI { 1429}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 105  and name HN  ))
      3.100     1.200     1.200 peak  1429 spectrum    1 weight  0.10000E+01 volume  0.30527E-02 ppm1      8.150 ppm2      8.402 CV     1
 ASSI { 1430}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 85   and name HN  ))
      3.400     1.400     1.400 peak  1430 spectrum    1 weight  0.10000E+01 volume  0.30527E-02 ppm1      8.149 ppm2      9.408 CV     1
 ASSI { 1433}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 106  and name HA  ))
      2.600     0.900     0.900 peak  1433 spectrum    1 weight  0.10000E+01 volume  0.30527E-02 ppm1      8.151 ppm2      4.725 CV     1
 ASSI { 1434}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 65   and name HA  ))
      2.900     1.100     1.100 peak  1434 spectrum    1 weight  0.10000E+01 volume  0.30527E-02 ppm1      6.900 ppm2      3.449 CV     1
 ASSI { 1435}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 78   and name HN  ))
      3.700     1.700     1.700 peak  1435 spectrum    1 weight  0.10000E+01 volume  0.30527E-02 ppm1      8.889 ppm2      8.054 CV     1
 ASSI { 1437}
   (( segid " 1SG" and resid 19   and name HN  ))
   (( segid " 1SG" and resid 20   and name HA1 ))
      3.700     1.700     1.700 peak  1437 spectrum    1 weight  0.10000E+01 volume  0.30527E-02 ppm1      9.827 ppm2      3.729 CV     1
 ASSI { 1438}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 37   and name HA  ))
      3.300     1.400     1.400 peak  1438 spectrum    1 weight  0.10000E+01 volume  0.30527E-02 ppm1      8.735 ppm2      4.487 CV     1
 ASSI { 1439}
   (( segid " 1SG" and resid 92   and name HN  ))
   (( segid " 1SG" and resid 39   and name HA  ))
      3.200     1.300     1.300 peak  1439 spectrum    1 weight  0.10000E+01 volume  0.30527E-02 ppm1      8.735 ppm2      4.801 CV     1
 ASSI { 1440}
   (( segid " 1SG" and resid 88   and name HN  ))
   (( segid " 1SG" and resid 43   and name HA  ))
      3.100     1.200     1.200 peak  1440 spectrum    1 weight  0.10000E+01 volume  0.30527E-02 ppm1      9.108 ppm2      4.132 CV     1
 ASSI { 1441}
   (( segid " 1SG" and resid 86   and name HN  ))
   (( segid " 1SG" and resid 103  and name HA  ))
      3.400     1.500     1.500 peak  1441 spectrum    1 weight  0.10000E+01 volume  0.30527E-02 ppm1      7.948 ppm2      5.544 CV     1
 ASSI { 1442}
   (( segid " 1SG" and resid 43   and name HN  ))
   (( segid " 1SG" and resid 48   and name HA  ))
      2.700     0.900     0.900 peak  1442 spectrum    1 weight  0.10000E+01 volume  0.30527E-02 ppm1      8.628 ppm2      4.192 CV     1
 ASSI { 1443}
   (( segid " 1SG" and resid 104  and name HN  ))
   (( segid " 1SG" and resid 86   and name HA2 ))
      3.000     1.100     1.100 peak  1443 spectrum    1 weight  0.10000E+01 volume  0.30527E-02 ppm1      8.796 ppm2      4.658 CV     1
 ASSI { 1444}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 14   and name HN  ))
      2.900     1.100     1.100 peak  1444 spectrum    1 weight  0.10000E+01 volume  0.30527E-02 ppm1      8.400 ppm2      9.191 CV     1
 ASSI { 1445}
   (( segid " 1SG" and resid 13   and name HN  ))
   (( segid " 1SG" and resid 102  and name HA  ))
      2.800     1.000     1.000 peak  1445 spectrum    1 weight  0.10000E+01 volume  0.30527E-02 ppm1      8.313 ppm2      4.987 CV     1
 ASSI { 1446}
   (( segid " 1SG" and resid 9    and name HN  ))
   (( segid " 1SG" and resid 9    and name HB2 ))
      2.800     1.000     1.000 peak  1446 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      7.887 ppm2      1.892 CV     1
 ASSI { 1447}
   (( segid " 1SG" and resid 80   and name HN  ))
   (( segid " 1SG" and resid 80   and name HB2 ))
      2.700     0.900     0.900 peak  1447 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      5.579 ppm2      1.960 CV     1
 OR { 1447}
   (( segid " 1SG" and resid 80   and name HN  ))
   (( segid " 1SG" and resid 80   and name HB1 ))
 ASSI { 1448}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 23   and name HN  ))
      3.300     1.400     1.400 peak  1448 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      9.239 ppm2      7.917 CV     1
 ASSI { 1449}
   (( segid " 1SG" and resid 42   and name HN  ))
   (( segid " 1SG" and resid 41   and name HD1 ))
      3.700     3.700     2.300 peak  1449 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      9.447 ppm2      7.131 CV     1
 ASSI { 1450}
   (( segid " 1SG" and resid 46   and name HN  ))
   (( segid " 1SG" and resid 46   and name HD1 ))
      2.600     0.900     0.900 peak  1450 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      8.216 ppm2      7.132 CV     1
 ASSI { 1452}
   (( segid " 1SG" and resid 56   and name HN  ))
   (( segid " 1SG" and resid 56   and name HB2 ))
      3.300     1.400     1.400 peak  1452 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      8.383 ppm2      3.101 CV     1
 ASSI { 1453}
   (( segid " 1SG" and resid 14   and name HN  ))
   (( segid " 1SG" and resid 103  and name HB2 ))
      2.800     2.800     3.200 peak  1453 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      9.184 ppm2      2.498 CV     1
 ASSI { 1455}
   (( segid " 1SG" and resid 86   and name HN  ))
   (  segid " 1SG" and resid 87   and name HD% )
      2.900     1.000     1.000 peak  1455 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      7.948 ppm2      6.794 CV     1
 ASSI { 1456}
   (( segid " 1SG" and resid 86   and name HN  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      3.200     3.200     2.800 peak  1456 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      7.946 ppm2      1.498 CV     1
 ASSI { 1458}
   (( segid " 1SG" and resid 5    and name HN  ))
   (( segid " 1SG" and resid 96   and name HB2 ))
      3.200     1.300     1.300 peak  1458 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      8.144 ppm2      1.572 CV     1
 ASSI { 1459}
   (( segid " 1SG" and resid 5    and name HN  ))
   (( segid " 1SG" and resid 4    and name HG12))
      3.700     1.700     1.700 peak  1459 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      8.143 ppm2      1.230 CV     1
 ASSI { 1460}
   (( segid " 1SG" and resid 67   and name HN  ))
   (( segid " 1SG" and resid 64   and name HB2 ))
      3.100     1.200     1.200 peak  1460 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      7.421 ppm2      2.339 CV     1
 ASSI { 1461}
   (( segid " 1SG" and resid 20   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.200     1.300     1.300 peak  1461 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      8.824 ppm2      0.376 CV     1
 ASSI { 1462}
   (( segid " 1SG" and resid 20   and name HN  ))
   (( segid " 1SG" and resid 18   and name HN  ))
      3.200     3.200     2.800 peak  1462 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      8.828 ppm2      8.005 CV     1
 ASSI { 1463}
   (( segid " 1SG" and resid 62   and name HN  ))
   (( segid " 1SG" and resid 63   and name HN  ))
      3.300     1.400     1.400 peak  1463 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      8.848 ppm2      8.521 CV     1
 ASSI { 1465}
   (( segid " 1SG" and resid 95   and name HN  ))
   (( segid " 1SG" and resid 95   and name HB2 ))
      2.500     0.800     0.800 peak  1465 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      7.971 ppm2      2.631 CV     1
 ASSI { 1466}
   (( segid " 1SG" and resid 95   and name HN  ))
   (  segid " 1SG" and resid 93   and name HG2%)
      3.400     1.500     1.500 peak  1466 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      7.969 ppm2      1.024 CV     1
 ASSI { 1468}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 80   and name HG2 ))
      2.800     1.000     1.000 peak  1468 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      8.254 ppm2      2.168 CV     1
 OR { 1468}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 80   and name HG1 ))
 ASSI { 1469}
   (( segid " 1SG" and resid 83   and name HN  ))
   (( segid " 1SG" and resid 106  and name HB  ))
      2.900     1.000     1.000 peak  1469 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      8.253 ppm2      1.861 CV     1
 ASSI { 1471}
   (( segid " 1SG" and resid 83   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.000     1.100     1.100 peak  1471 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      8.254 ppm2      0.372 CV     1
 ASSI { 1472}
   (( segid " 1SG" and resid 93   and name HN  ))
   (  segid " 1SG" and resid 97   and name HD% )
      3.100     3.100     2.900 peak  1472 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      8.557 ppm2      7.094 CV     1
 ASSI { 1473}
   (( segid " 1SG" and resid 93   and name HN  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      2.400     2.400     3.600 peak  1473 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      8.557 ppm2      0.177 CV     1
 ASSI { 1477}
   (( segid " 1SG" and resid 85   and name HN  ))
   (( segid " 1SG" and resid 103  and name HA  ))
      3.400     3.400     2.600 peak  1477 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      9.405 ppm2      5.536 CV     1
 ASSI { 1478}
   (( segid " 1SG" and resid 25   and name HN  ))
   (  segid " 1SG" and resid 23   and name HG2%)
      3.300     1.400     1.400 peak  1478 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      8.401 ppm2      0.771 CV     1
 ASSI { 1480}
   (( segid " 1SG" and resid 44   and name HN  ))
   (  segid " 1SG" and resid 87   and name HD% )
      2.600     0.900     0.900 peak  1480 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      8.211 ppm2      6.801 CV     1
 ASSI { 1482}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 43   and name HD1 ))
      3.500     1.500     1.500 peak  1482 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      8.212 ppm2      1.314 CV     1
 OR { 1482}
   (( segid " 1SG" and resid 44   and name HN  ))
   (( segid " 1SG" and resid 43   and name HD2 ))
 ASSI { 1484}
   (( segid " 1SG" and resid 51   and name HN  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      3.300     1.300     1.300 peak  1484 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      7.879 ppm2      1.071 CV     1
 ASSI { 1485}
   (( segid " 1SG" and resid 51   and name HN  ))
   (( segid " 1SG" and resid 52   and name HB2 ))
      3.500     1.500     1.500 peak  1485 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      7.881 ppm2      1.710 CV     1
 ASSI { 1486}
   (( segid " 1SG" and resid 7    and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.400     1.500     1.500 peak  1486 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      8.875 ppm2      0.469 CV     1
 ASSI { 1488}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 48   and name HB2 ))
      3.000     1.100     1.100 peak  1488 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      8.940 ppm2      2.935 CV     1
 ASSI { 1489}
   (( segid " 1SG" and resid 50   and name HN  ))
   (( segid " 1SG" and resid 51   and name HA  ))
      3.400     1.400     1.400 peak  1489 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      8.941 ppm2      4.555 CV     1
 ASSI { 1490}
   (( segid " 1SG" and resid 69   and name HN  ))
   (  segid " 1SG" and resid 63   and name HD% )
      2.400     2.400     3.600 peak  1490 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      6.899 ppm2      5.903 CV     1
 ASSI { 1491}
   (( segid " 1SG" and resid 69   and name HN  ))
   (( segid " 1SG" and resid 67   and name HA  ))
      3.500     1.500     1.500 peak  1491 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      6.897 ppm2      4.292 CV     1
 ASSI { 1494}
   (( segid " 1SG" and resid 83   and name HN  ))
   (  segid " 1SG" and resid 79   and name HB% )
      3.500     1.500     1.500 peak  1494 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      8.257 ppm2      1.183 CV     1
 ASSI { 1495}
   (( segid " 1SG" and resid 70   and name HN  ))
   (  segid " 1SG" and resid 28   and name HG2%)
      3.200     3.200     2.800 peak  1495 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      9.272 ppm2      0.629 CV     1
 ASSI { 1496}
   (( segid " 1SG" and resid 70   and name HN  ))
   (  segid " 1SG" and resid 29   and name HB% )
      2.400     2.400     3.600 peak  1496 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      9.273 ppm2      1.513 CV     1
 ASSI { 1497}
   (( segid " 1SG" and resid 70   and name HN  ))
   (  segid " 1SG" and resid 70   and name HE% )
      3.400     1.400     1.400 peak  1497 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      9.270 ppm2      6.632 CV     1
 ASSI { 1498}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 100  and name HN  ))
      3.300     1.400     1.400 peak  1498 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      9.228 ppm2      8.896 CV     1
 ASSI { 1499}
   (( segid " 1SG" and resid 99   and name HN  ))
   (( segid " 1SG" and resid 98   and name HN  ))
      3.300     1.400     1.400 peak  1499 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      9.228 ppm2      8.427 CV     1
 ASSI { 1501}
   (( segid " 1SG" and resid 80   and name HN  ))
   (  segid " 1SG" and resid 83   and name HE% )
      3.200     1.300     1.300 peak  1501 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      5.580 ppm2      7.264 CV     1
 ASSI { 1503}
   (( segid " 1SG" and resid 35   and name HN  ))
   (( segid " 1SG" and resid 34   and name HN  ))
      2.600     0.800     0.800 peak  1503 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      7.510 ppm2      8.687 CV     1
 ASSI { 1504}
   (( segid " 1SG" and resid 92   and name HN  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.000     1.100     1.100 peak  1504 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      8.734 ppm2      0.473 CV     1
 ASSI { 1505}
   (( segid " 1SG" and resid 92   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG1%)
      2.400     2.400     3.600 peak  1505 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      8.735 ppm2     -0.083 CV     1
 ASSI { 1506}
   (( segid " 1SG" and resid 19   and name HN  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      3.100     1.200     1.200 peak  1506 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      9.827 ppm2      0.599 CV     1
 ASSI { 1507}
   (( segid " 1SG" and resid 42   and name HN  ))
   (  segid " 1SG" and resid 49   and name HD2%)
      3.400     1.400     1.400 peak  1507 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      9.445 ppm2      1.011 CV     1
 ASSI { 1510}
   (( segid " 1SG" and resid 42   and name HN  ))
   (( segid " 1SG" and resid 41   and name HB2 ))
      3.400     1.500     1.500 peak  1510 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      9.448 ppm2      3.149 CV     1
 ASSI { 1511}
   (( segid " 1SG" and resid 103  and name HN  ))
   (( segid " 1SG" and resid 103  and name HD21))
      2.900     1.100     1.100 peak  1511 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      9.241 ppm2      7.722 CV     1
 ASSI { 1513}
   (( segid " 1SG" and resid 79   and name HN  ))
   (  segid " 1SG" and resid 83   and name HE% )
      3.400     3.400     2.600 peak  1513 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      8.973 ppm2      7.265 CV     1
 ASSI { 1514}
   (( segid " 1SG" and resid 79   and name HN  ))
   (  segid " 1SG" and resid 83   and name HD% )
      3.600     1.700     1.700 peak  1514 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      8.973 ppm2      7.109 CV     1
 ASSI { 1515}
   (( segid " 1SG" and resid 79   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.200     1.300     1.300 peak  1515 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      8.973 ppm2      0.382 CV     1
 ASSI { 1518}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HD2 ))
      3.500     1.500     1.500 peak  1518 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      8.896 ppm2      3.106 CV     1
 OR { 1518}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HD1 ))
 ASSI { 1519}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 9    and name HG2 ))
      3.200     1.300     1.300 peak  1519 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      8.892 ppm2      2.504 CV     1
 ASSI { 1520}
   (( segid " 1SG" and resid 100  and name HN  ))
   (( segid " 1SG" and resid 89   and name HB2 ))
      2.900     2.900     3.100 peak  1520 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      8.895 ppm2      2.307 CV     1
 ASSI { 1521}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HG2 ))
      2.700     0.900     0.900 peak  1521 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      8.890 ppm2      1.675 CV     1
 OR { 1521}
   (( segid " 1SG" and resid 27   and name HN  ))
   (( segid " 1SG" and resid 27   and name HG1 ))
 ASSI { 1522}
   (( segid " 1SG" and resid 27   and name HN  ))
   (  segid " 1SG" and resid 28   and name HG2%)
      2.900     2.900     3.100 peak  1522 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      8.891 ppm2      0.632 CV     1
 ASSI { 1523}
   (( segid " 1SG" and resid 94   and name HN  ))
   (( segid " 1SG" and resid 93   and name HB  ))
      2.500     0.800     0.800 peak  1523 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      8.338 ppm2      4.555 CV     1
 ASSI { 1526}
   (( segid " 1SG" and resid 17   and name HN  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      3.100     3.100     2.900 peak  1526 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      7.898 ppm2      0.371 CV     1
 ASSI { 1527}
   (( segid " 1SG" and resid 73   and name HN  ))
   (( segid " 1SG" and resid 61   and name HB2 ))
      2.400     2.400     3.600 peak  1527 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      9.450 ppm2      2.295 CV     1
 ASSI { 1534}
   (( segid " 1SG" and resid 15   and name HN  ))
   (( segid " 1SG" and resid 16   and name HB  ))
      3.000     3.000     3.000 peak  1534 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      8.502 ppm2      1.802 CV     1
 ASSI { 1535}
   (( segid " 1SG" and resid 38   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG2%)
      3.000     1.100     1.100 peak  1535 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      8.374 ppm2     -0.453 CV     1
 ASSI { 1537}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 68   and name HA  ))
      3.700     1.700     1.700 peak  1537 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      8.106 ppm2      3.600 CV     1
 ASSI { 1538}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 65   and name HD1 ))
      2.400     2.400     3.600 peak  1538 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      8.106 ppm2      3.228 CV     1
 OR { 1538}
   (( segid " 1SG" and resid 66   and name HN  ))
   (( segid " 1SG" and resid 65   and name HD2 ))
 ASSI { 1539}
   (( segid " 1SG" and resid 84   and name HN  ))
   (  segid " 1SG" and resid 83   and name HD% )
      3.600     1.600     1.600 peak  1539 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      7.866 ppm2      7.112 CV     1
 ASSI { 1540}
   (( segid " 1SG" and resid 58   and name HN  ))
   (( segid " 1SG" and resid 74   and name HA  ))
      3.300     1.400     1.400 peak  1540 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      8.940 ppm2      4.324 CV     1
 ASSI { 1542}
   (( segid " 1SG" and resid 22   and name HN  ))
   (( segid " 1SG" and resid 22   and name HG12))
      3.600     1.600     1.600 peak  1542 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      8.888 ppm2      0.075 CV     1
 ASSI { 1543}
   (( segid " 1SG" and resid 104  and name HN  ))
   (  segid " 1SG" and resid 106  and name HG1%)
      3.100     3.100     2.900 peak  1543 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      8.793 ppm2      0.667 CV     1
 ASSI { 1549}
   (( segid " 1SG" and resid 26   and name HN  ))
   (( segid " 1SG" and resid 27   and name HN  ))
      3.300     1.300     1.300 peak  1549 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      9.498 ppm2      8.892 CV     1
 ASSI { 1550}
   (( segid " 1SG" and resid 26   and name HN  ))
   (  segid " 1SG" and resid 72   and name HD% )
      3.300     3.300     2.700 peak  1550 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      9.498 ppm2      7.311 CV     1
 ASSI { 1552}
   (( segid " 1SG" and resid 41   and name HN  ))
   (  segid " 1SG" and resid 49   and name HD2%)
      3.400     3.400     2.600 peak  1552 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      9.306 ppm2      1.018 CV     1
 ASSI { 1553}
   (( segid " 1SG" and resid 41   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD1%)
      3.100     1.200     1.200 peak  1553 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      9.307 ppm2      0.856 CV     1
 ASSI { 1554}
   (( segid " 1SG" and resid 41   and name HN  ))
   (  segid " 1SG" and resid 59   and name HD2%)
      3.400     3.400     2.600 peak  1554 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      9.307 ppm2      0.688 CV     1
 ASSI { 1555}
   (( segid " 1SG" and resid 41   and name HN  ))
   (  segid " 1SG" and resid 39   and name HG1%)
      3.200     3.200     2.800 peak  1555 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      9.308 ppm2     -0.081 CV     1
 ASSI { 1557}
   (( segid " 1SG" and resid 24   and name HN  ))
   (( segid " 1SG" and resid 74   and name HB2 ))
      2.500     0.800     0.800 peak  1557 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      9.237 ppm2     -0.838 CV     1
 ASSI { 1560}
   (( segid " 1SG" and resid 76   and name HN  ))
   (  segid " 1SG" and resid 76   and name HD1%)
      3.100     1.200     1.200 peak  1560 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      8.926 ppm2      0.649 CV     1
 ASSI { 1561}
   (( segid " 1SG" and resid 76   and name HN  ))
   (  segid " 1SG" and resid 74   and name HD1%)
      3.300     3.300     2.700 peak  1561 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      8.926 ppm2      0.405 CV     1
 ASSI { 1563}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 90   and name HB2 ))
      3.300     1.300     1.300 peak  1563 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      8.696 ppm2      2.025 CV     1
 ASSI { 1564}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 40   and name HD2 ))
      3.000     1.100     1.100 peak  1564 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      8.694 ppm2      1.685 CV     1
 OR { 1564}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 40   and name HD1 ))
 ASSI { 1565}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 40   and name HG1 ))
      2.500     0.800     0.800 peak  1565 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      8.694 ppm2      1.238 CV     1
 OR { 1565}
   (( segid " 1SG" and resid 40   and name HN  ))
   (( segid " 1SG" and resid 40   and name HG2 ))
 ASSI { 1566}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 41   and name HH2 ))
      3.200     3.200     2.800 peak  1566 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      8.470 ppm2      6.611 CV     1
 ASSI { 1570}
   (( segid " 1SG" and resid 74   and name HN  ))
   (( segid " 1SG" and resid 75   and name HN  ))
      3.200     1.300     1.300 peak  1570 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      8.471 ppm2      9.160 CV     1
 ASSI { 1572}
   (( segid " 1SG" and resid 8    and name HN  ))
   (  segid " 1SG" and resid 28   and name HG1%)
      3.200     1.300     1.300 peak  1572 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      9.052 ppm2      0.818 CV     1
 ASSI { 1573}
   (( segid " 1SG" and resid 8    and name HN  ))
   (  segid " 1SG" and resid 29   and name HB% )
      3.600     1.600     1.600 peak  1573 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      9.052 ppm2      1.513 CV     1
 ASSI { 1574}
   (( segid " 1SG" and resid 8    and name HN  ))
   (( segid " 1SG" and resid 7    and name HB2 ))
      3.500     1.500     1.500 peak  1574 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      9.052 ppm2      2.577 CV     1
 ASSI { 1576}
   (( segid " 1SG" and resid 87   and name HN  ))
   (  segid " 1SG" and resid 87   and name HE% )
      3.700     1.700     1.700 peak  1576 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      9.114 ppm2      6.589 CV     1
 ASSI { 1577}
   (( segid " 1SG" and resid 31   and name HN  ))
   (( segid " 1SG" and resid 29   and name HA  ))
      3.100     3.100     2.900 peak  1577 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      8.417 ppm2      4.392 CV     1
 ASSI { 1578}
   (( segid " 1SG" and resid 31   and name HN  ))
   (( segid " 1SG" and resid 30   and name HA1 ))
      2.500     0.800     0.800 peak  1578 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      8.418 ppm2      3.945 CV     1
 ASSI { 1579}
   (( segid " 1SG" and resid 71   and name HN  ))
   (( segid " 1SG" and resid 62   and name HA  ))
      2.900     2.900     3.100 peak  1579 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      8.722 ppm2      4.598 CV     1
 ASSI { 1582}
   (( segid " 1SG" and resid 10   and name HN  ))
   (( segid " 1SG" and resid 9    and name HB2 ))
      3.400     1.400     1.400 peak  1582 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      8.852 ppm2      1.895 CV     1
 ASSI { 1584}
   (( segid " 1SG" and resid 41   and name HE1 ))
   (( segid " 1SG" and resid 41   and name HH2 ))
      3.500     1.600     1.600 peak  1584 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1     10.779 ppm2      6.612 CV     1
 ASSI { 1585}
   (( segid " 1SG" and resid 21   and name HN  ))
   (( segid " 1SG" and resid 21   and name HB2 ))
      3.000     1.100     1.100 peak  1585 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      8.170 ppm2      3.751 CV     1
 ASSI { 1587}
   (( segid " 1SG" and resid 23   and name HN  ))
   (  segid " 1SG" and resid 22   and name HG2%)
      3.600     1.600     1.600 peak  1587 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      7.913 ppm2      0.580 CV     1
 ASSI { 1588}
   (( segid " 1SG" and resid 28   and name HN  ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      2.700     2.700     3.300 peak  1588 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      9.673 ppm2      2.815 CV     1
 ASSI { 1589}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 37   and name HB2 ))
      2.900     2.900     3.100 peak  1589 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      7.892 ppm2      1.363 CV     1
 OR { 1589}
   (( segid " 1SG" and resid 39   and name HN  ))
   (( segid " 1SG" and resid 37   and name HG2 ))
 ASSI { 1590}
   (( segid " 1SG" and resid 39   and name HN  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      3.500     1.500     1.500 peak  1590 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      7.893 ppm2      0.175 CV     1
 ASSI { 1592}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 93   and name HB  ))
      2.600     0.900     0.900 peak  1592 spectrum    1 weight  0.10000E+01 volume  0.30588E-02 ppm1      7.547 ppm2      4.555 CV     1
 ASSI { 1593}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 95   and name HB2 ))
      3.400     1.400     1.400 peak  1593 spectrum    1 weight  0.10000E+01 volume  0.30588E-02 ppm1      7.546 ppm2      2.632 CV     1
 ASSI { 1595}
   (( segid " 1SG" and resid 96   and name HN  ))
   (( segid " 1SG" and resid 95   and name HA  ))
      3.000     1.100     1.100 peak  1595 spectrum    1 weight  0.10000E+01 volume  0.30588E-02 ppm1      7.548 ppm2      4.750 CV     1
 ASSI { 1597}
   (( segid " 1SG" and resid 101  and name HN  ))
   (( segid " 1SG" and resid 100  and name HB2 ))
      3.500     1.500     1.500 peak  1597 spectrum    1 weight  0.10000E+01 volume  0.30588E-02 ppm1      9.044 ppm2      2.950 CV     1
 ASSI { 1598}
   (( segid " 1SG" and resid 105  and name HN  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      3.300     1.400     1.400 peak  1598 spectrum    1 weight  0.10000E+01 volume  0.30588E-02 ppm1      8.401 ppm2      1.492 CV     1
 ASSI { 1599}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 15   and name HG2 ))
      3.100     1.200     1.200 peak  1599 spectrum    1 weight  0.10000E+01 volume  0.30588E-02 ppm1      8.404 ppm2      2.261 CV     1
 OR { 1599}
   (( segid " 1SG" and resid 105  and name HN  ))
   (( segid " 1SG" and resid 15   and name HG1 ))
 ASSI { 1600}
   (( segid " 1SG" and resid 98   and name HN  ))
   (( segid " 1SG" and resid 91   and name HA  ))
      2.400     2.400     3.600 peak  1600 spectrum    1 weight  0.10000E+01 volume  0.30588E-02 ppm1      8.399 ppm2      4.758 CV     1
 ASSI { 1602}
   (( segid " 1SG" and resid 106  and name HN  ))
   (( segid " 1SG" and resid 105  and name HB  ))
      3.200     1.300     1.300 peak  1602 spectrum    1 weight  0.10000E+01 volume  0.30588E-02 ppm1      8.150 ppm2      3.935 CV     1
 ASSI { 1603}
   (( segid " 1SG" and resid 107  and name HN  ))
   (( segid " 1SG" and resid 106  and name HB  ))
      3.500     1.500     1.500 peak  1603 spectrum    1 weight  0.10000E+01 volume  0.30588E-02 ppm1      8.820 ppm2      1.850 CV     1
 ASSI { 1605}
   (( segid " 1SG" and resid 38   and name HN  ))
   (  segid " 1SG" and resid 38   and name HG2%)
      2.700     0.900     0.900 peak  1605 spectrum    1 weight  0.10000E+01 volume  0.30588E-02 ppm1      8.373 ppm2      0.790 CV     1
 ASSI { 1606}
   (( segid " 1SG" and resid 19   and name HN  ))
   (( segid " 1SG" and resid 19   and name HA2 ))
      2.600     0.800     0.800 peak  1606 spectrum    1 weight  0.10000E+01 volume  0.30588E-02 ppm1      9.828 ppm2      4.311 CV     1
 ASSI { 1608}
   (( segid " 1SG" and resid 85   and name HN  ))
   (  segid " 1SG" and resid 87   and name HD% )
      3.200     3.200     2.800 peak  1608 spectrum    1 weight  0.10000E+01 volume  0.30588E-02 ppm1      9.409 ppm2      6.792 CV     1
 ASSI { 1609}
   (( segid " 1SG" and resid 101  and name HD21))
   (( segid " 1SG" and resid 101  and name HB2 ))
      2.800     1.000     1.000 peak  1609 spectrum    1 weight  0.10000E+01 volume  0.30588E-02 ppm1      7.436 ppm2      2.696 CV     1
 ASSI { 1613}
   (( segid " 1SG" and resid 28   and name HN  ))
   (  segid " 1SG" and resid 72   and name HD% )
      3.000     1.200     1.200 peak  1613 spectrum    1 weight  0.10000E+01 volume  0.30604E-02 ppm1      9.673 ppm2      7.309 CV     1
 ASSI { 1614}
   (( segid " 1SG" and resid 68   and name HN  ))
   (( segid " 1SG" and resid 66   and name HA  ))
      3.400     1.400     1.400 peak  1614 spectrum    1 weight  0.10000E+01 volume  0.30588E-02 ppm1      7.876 ppm2      4.125 CV     1
 ASSI {    1}
   (( segid " 1SG" and resid 43   and name HD1 ))
   (( segid " 1SG" and resid 43   and name HG2 ))
      2.100     0.600     0.600 peak     1 spectrum    1 weight  0.10000E+01 volume  0.84955E-02 ppm1      1.317 ppm2      0.086 CV     1
 OR {    1}
   (( segid " 1SG" and resid 43   and name HD2 ))
   (( segid " 1SG" and resid 43   and name HG2 ))
 ASSI {    2}
   (( segid " 1SG" and resid 41   and name HA  ))
   (( segid " 1SG" and resid 89   and name HA  ))
      2.100     0.500     0.500 peak     2 spectrum    1 weight  0.10000E+01 volume  0.84981E-02 ppm1      5.478 ppm2      4.971 CV     1
 ASSI {   16}
   (( segid " 1SG" and resid 65   and name HG1 ))
   (( segid " 1SG" and resid 65   and name HB2 ))
      2.200     0.600     0.600 peak    16 spectrum    1 weight  0.10000E+01 volume  0.85020E-02 ppm1      1.688 ppm2      1.765 CV     1
 OR {   16}
   (( segid " 1SG" and resid 65   and name HG1 ))
   (( segid " 1SG" and resid 65   and name HB1 ))
 OR {   16}
   (( segid " 1SG" and resid 65   and name HG2 ))
   (( segid " 1SG" and resid 65   and name HB2 ))
 OR {   16}
   (( segid " 1SG" and resid 65   and name HG2 ))
   (( segid " 1SG" and resid 65   and name HB1 ))
 ASSI {   40}
   (( segid " 1SG" and resid 15   and name HA  ))
   (( segid " 1SG" and resid 15   and name HB1 ))
      2.100     0.600     0.600 peak    40 spectrum    1 weight  0.10000E+01 volume  0.84981E-02 ppm1      5.471 ppm2      1.987 CV     1
 OR {   40}
   (( segid " 1SG" and resid 15   and name HA  ))
   (( segid " 1SG" and resid 15   and name HB2 ))
 ASSI {   41}
   (( segid " 1SG" and resid 41   and name HA  ))
   (( segid " 1SG" and resid 90   and name HB2 ))
      2.500     2.500     3.500 peak    41 spectrum    1 weight  0.10000E+01 volume  0.83823E-02 ppm1      5.495 ppm2      2.057 CV     1
 ASSI {   98}
   (( segid " 1SG" and resid 87   and name HA  ))
   (( segid " 1SG" and resid 43   and name HA  ))
      2.000     0.500     0.500 peak    98 spectrum    1 weight  0.10000E+01 volume  0.83823E-02 ppm1      4.980 ppm2      4.145 CV     1
 ASSI {  134}
   (( segid " 1SG" and resid 1    and name HA  ))
   (( segid " 1SG" and resid 1    and name HB2 ))
      2.300     0.700     0.700 peak   134 spectrum    1 weight  0.10000E+01 volume  0.83960E-02 ppm1      4.624 ppm2      2.609 CV     1
 ASSI {  159}
   (  segid " 1SG" and resid 93   and name HG2%)
   (( segid " 1SG" and resid 37   and name HA  ))
      2.200     0.600     0.600 peak   159 spectrum    1 weight  0.10000E+01 volume  0.84819E-02 ppm1      1.041 ppm2      4.505 CV     1
 ASSI {  167}
   (( segid " 1SG" and resid 40   and name HA  ))
   (( segid " 1SG" and resid 40   and name HG1 ))
      2.500     0.800     0.800 peak   167 spectrum    1 weight  0.10000E+01 volume  0.83960E-02 ppm1      4.550 ppm2      1.286 CV     1
 OR {  167}
   (( segid " 1SG" and resid 40   and name HA  ))
   (( segid " 1SG" and resid 40   and name HG2 ))
 ASSI {  173}
   (( segid " 1SG" and resid 92   and name HB1 ))
   (( segid " 1SG" and resid 38   and name HA  ))
      1.600     1.600     4.400 peak   173 spectrum    1 weight  0.10000E+01 volume  0.23748E-01 ppm1      3.883 ppm2      3.881 CV     1
 OR {  173}
   (( segid " 1SG" and resid 92   and name HB2 ))
   (( segid " 1SG" and resid 38   and name HA  ))
 ASSI {  174}
   (( segid " 1SG" and resid 72   and name HB2 ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      2.000     2.000     4.000 peak   174 spectrum    1 weight  0.10000E+01 volume  0.23292E-01 ppm1      2.926 ppm2      2.791 CV     1
 ASSI {  175}
   (( segid " 1SG" and resid 32   and name HA  ))
   (( segid " 1SG" and resid 32   and name HB1 ))
      2.200     0.600     0.600 peak   175 spectrum    1 weight  0.10000E+01 volume  0.83960E-02 ppm1      4.518 ppm2      3.914 CV     1
 OR {  175}
   (( segid " 1SG" and resid 32   and name HA  ))
   (( segid " 1SG" and resid 32   and name HB2 ))
 ASSI {  183}
   (( segid " 1SG" and resid 74   and name HA  ))
   (( segid " 1SG" and resid 59   and name HA  ))
      2.000     0.500     0.500 peak   183 spectrum    1 weight  0.10000E+01 volume  0.83960E-02 ppm1      4.344 ppm2      5.189 CV     1
 ASSI {  185}
   (( segid " 1SG" and resid 74   and name HA  ))
   (  segid " 1SG" and resid 74   and name HD2%)
      2.100     0.600     0.600 peak   185 spectrum    1 weight  0.10000E+01 volume  0.83960E-02 ppm1      4.326 ppm2      0.405 CV     1
 OR {  185}
   (( segid " 1SG" and resid 74   and name HA  ))
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI {  218}
   (( segid " 1SG" and resid 94   and name HD2 ))
   (( segid " 1SG" and resid 94   and name HG2 ))
      1.800     0.400     0.400 peak   218 spectrum    1 weight  0.10000E+01 volume  0.19690E-01 ppm1      1.680 ppm2      1.415 CV     1
 OR {  218}
   (( segid " 1SG" and resid 94   and name HD1 ))
   (( segid " 1SG" and resid 94   and name HG1 ))
 OR {  218}
   (( segid " 1SG" and resid 94   and name HD2 ))
   (( segid " 1SG" and resid 94   and name HG1 ))
 OR {  218}
   (( segid " 1SG" and resid 94   and name HD1 ))
   (( segid " 1SG" and resid 94   and name HG2 ))
 ASSI {  219}
   (( segid " 1SG" and resid 55   and name HB2 ))
   (( segid " 1SG" and resid 55   and name HG2 ))
      1.900     0.500     0.500 peak   219 spectrum    1 weight  0.10000E+01 volume  0.19640E-01 ppm1      1.784 ppm2      1.983 CV     1
 OR {  219}
   (( segid " 1SG" and resid 55   and name HB2 ))
   (( segid " 1SG" and resid 55   and name HG1 ))
 ASSI {  275}
   (( segid " 1SG" and resid 81   and name HB2 ))
   (( segid " 1SG" and resid 81   and name HA  ))
      2.300     0.700     0.700 peak   275 spectrum    1 weight  0.10000E+01 volume  0.84109E-02 ppm1      1.927 ppm2      4.000 CV     1
 ASSI {  282}
   (  segid " 1SG" and resid 84   and name HG2%)
   (( segid " 1SG" and resid 84   and name HB  ))
      2.000     0.500     0.500 peak   282 spectrum    1 weight  0.10000E+01 volume  0.13874E-01 ppm1      1.497 ppm2      4.224 CV     1
 OR {  282}
   (  segid " 1SG" and resid 84   and name HG2%)
   (( segid " 1SG" and resid 84   and name HA  ))
 ASSI {  302}
   (  segid " 1SG" and resid 4    and name HD1%)
   (( segid " 1SG" and resid 4    and name HB  ))
      2.100     0.600     0.600 peak   302 spectrum    1 weight  0.10000E+01 volume  0.84135E-02 ppm1      0.966 ppm2      2.051 CV     1
 ASSI {  313}
   (  segid " 1SG" and resid 66   and name HB% )
   (( segid " 1SG" and resid 66   and name HA  ))
      2.100     0.500     0.500 peak   313 spectrum    1 weight  0.10000E+01 volume  0.11692E-01 ppm1      1.419 ppm2      4.132 CV     1
 ASSI {  316}
   (( segid " 1SG" and resid 35   and name HG1 ))
   (( segid " 1SG" and resid 35   and name HB2 ))
      2.100     0.500     0.500 peak   316 spectrum    1 weight  0.10000E+01 volume  0.84285E-02 ppm1      1.346 ppm2      1.779 CV     1
 OR {  316}
   (( segid " 1SG" and resid 35   and name HG1 ))
   (( segid " 1SG" and resid 35   and name HB1 ))
 OR {  316}
   (( segid " 1SG" and resid 35   and name HG2 ))
   (( segid " 1SG" and resid 35   and name HB2 ))
 OR {  316}
   (( segid " 1SG" and resid 35   and name HG2 ))
   (( segid " 1SG" and resid 35   and name HB1 ))
 ASSI {  318}
   (( segid " 1SG" and resid 52   and name HG1 ))
   (( segid " 1SG" and resid 52   and name HB2 ))
      2.100     0.600     0.600 peak   318 spectrum    1 weight  0.10000E+01 volume  0.84285E-02 ppm1      1.347 ppm2      1.689 CV     1
 OR {  318}
   (( segid " 1SG" and resid 52   and name HG2 ))
   (( segid " 1SG" and resid 52   and name HB2 ))
 ASSI {  323}
   (( segid " 1SG" and resid 94   and name HG2 ))
   (( segid " 1SG" and resid 94   and name HB2 ))
      2.100     0.600     0.600 peak   323 spectrum    1 weight  0.10000E+01 volume  0.84285E-02 ppm1      1.415 ppm2      1.794 CV     1
 OR {  323}
   (( segid " 1SG" and resid 94   and name HG1 ))
   (( segid " 1SG" and resid 94   and name HB2 ))
 ASSI {  328}
   (( segid " 1SG" and resid 34   and name HG  ))
   (  segid " 1SG" and resid 34   and name HD2%)
      2.200     0.600     0.600 peak   328 spectrum    1 weight  0.10000E+01 volume  0.84285E-02 ppm1      0.934 ppm2      0.862 CV     1
 OR {  328}
   (( segid " 1SG" and resid 34   and name HG  ))
   (  segid " 1SG" and resid 34   and name HD1%)
 ASSI {  335}
   (( segid " 1SG" and resid 3    and name HB1 ))
   (( segid " 1SG" and resid 4    and name HB  ))
      2.500     2.500     3.500 peak   335 spectrum    1 weight  0.10000E+01 volume  0.10649E-01 ppm1      2.299 ppm2      2.004 CV     1
 OR {  335}
   (( segid " 1SG" and resid 3    and name HB2 ))
   (( segid " 1SG" and resid 4    and name HB  ))
 ASSI {  339}
   (  segid " 1SG" and resid 16   and name HG2%)
   (  segid " 1SG" and resid 16   and name HG1%)
      2.100     0.600     0.600 peak   339 spectrum    1 weight  0.10000E+01 volume  0.10602E-01 ppm1      0.630 ppm2      0.981 CV     1
 ASSI {  342}
   (( segid " 1SG" and resid 36   and name HB2 ))
   (( segid " 1SG" and resid 36   and name HD2 ))
      2.200     2.200     3.800 peak   342 spectrum    1 weight  0.10000E+01 volume  0.84285E-02 ppm1      1.641 ppm2      3.510 CV     1
 ASSI {  349}
   (  segid " 1SG" and resid 82   and name HB% )
   (( segid " 1SG" and resid 82   and name HA  ))
      2.100     0.600     0.600 peak   349 spectrum    1 weight  0.10000E+01 volume  0.10192E-01 ppm1      1.321 ppm2      4.210 CV     1
 ASSI {  354}
   (( segid " 1SG" and resid 21   and name HB2 ))
   (( segid " 1SG" and resid 23   and name HB  ))
      2.200     2.200     3.800 peak   354 spectrum    1 weight  0.10000E+01 volume  0.10068E-01 ppm1      3.720 ppm2      3.604 CV     1
 ASSI {  356}
   (( segid " 1SG" and resid 104  and name HG  ))
   (( segid " 1SG" and resid 104  and name HB2 ))
      2.100     0.500     0.500 peak   356 spectrum    1 weight  0.10000E+01 volume  0.84285E-02 ppm1      1.339 ppm2      1.226 CV     1
 ASSI {  357}
   (( segid " 1SG" and resid 104  and name HG  ))
   (  segid " 1SG" and resid 104  and name HD1%)
      2.100     0.600     0.600 peak   357 spectrum    1 weight  0.10000E+01 volume  0.84285E-02 ppm1      1.341 ppm2      0.980 CV     1
 ASSI {  358}
   (( segid " 1SG" and resid 65   and name HD2 ))
   (( segid " 1SG" and resid 65   and name HG2 ))
      2.100     0.500     0.500 peak   358 spectrum    1 weight  0.10000E+01 volume  0.99588E-02 ppm1      3.238 ppm2      1.683 CV     1
 OR {  358}
   (( segid " 1SG" and resid 65   and name HD1 ))
   (( segid " 1SG" and resid 65   and name HG1 ))
 OR {  358}
   (( segid " 1SG" and resid 65   and name HD1 ))
   (( segid " 1SG" and resid 65   and name HG2 ))
 OR {  358}
   (( segid " 1SG" and resid 65   and name HD2 ))
   (( segid " 1SG" and resid 65   and name HG1 ))
 ASSI {  359}
   (( segid " 1SG" and resid 104  and name HG  ))
   (  segid " 1SG" and resid 104  and name HD2%)
      2.100     0.600     0.600 peak   359 spectrum    1 weight  0.10000E+01 volume  0.84285E-02 ppm1      1.342 ppm2      0.832 CV     1
 ASSI {  364}
   (( segid " 1SG" and resid 59   and name HG  ))
   (  segid " 1SG" and resid 59   and name HD2%)
      2.100     0.600     0.600 peak   364 spectrum    1 weight  0.10000E+01 volume  0.84285E-02 ppm1      1.424 ppm2      0.682 CV     1
 ASSI {  375}
   (( segid " 1SG" and resid 4    and name HG12))
   (  segid " 1SG" and resid 4    and name HD1%)
      2.100     0.600     0.600 peak   375 spectrum    1 weight  0.10000E+01 volume  0.84285E-02 ppm1      1.245 ppm2      0.917 CV     1
 OR {  375}
   (( segid " 1SG" and resid 4    and name HG12))
   (  segid " 1SG" and resid 4    and name HG2%)
 ASSI {  377}
   (  segid " 1SG" and resid 71   and name HD2%)
   (  segid " 1SG" and resid 71   and name HD1%)
      2.200     0.600     0.600 peak   377 spectrum    1 weight  0.10000E+01 volume  0.95370E-02 ppm1      0.746 ppm2      0.857 CV     1
 ASSI {  384}
   (( segid " 1SG" and resid 81   and name HD2 ))
   (  segid " 1SG" and resid 18   and name HG1%)
      2.600     0.800     0.800 peak   384 spectrum    1 weight  0.10000E+01 volume  0.84311E-02 ppm1      3.587 ppm2      0.967 CV     1
 OR {  384}
   (( segid " 1SG" and resid 81   and name HD2 ))
   (  segid " 1SG" and resid 18   and name HG2%)
 ASSI {  388}
   (( segid " 1SG" and resid 34   and name HG  ))
   (( segid " 1SG" and resid 34   and name HB1 ))
      2.100     0.600     0.600 peak   388 spectrum    1 weight  0.10000E+01 volume  0.92454E-02 ppm1      0.935 ppm2      1.675 CV     1
 OR {  388}
   (( segid " 1SG" and resid 34   and name HG  ))
   (( segid " 1SG" and resid 34   and name HB2 ))
 ASSI {  405}
   (( segid " 1SG" and resid 96   and name HB2 ))
   (  segid " 1SG" and resid 6    and name HD2%)
      2.100     0.500     0.500 peak   405 spectrum    1 weight  0.10000E+01 volume  0.84311E-02 ppm1      1.583 ppm2      0.481 CV     1
 ASSI {  406}
   (( segid " 1SG" and resid 35   and name HB1 ))
   (( segid " 1SG" and resid 35   and name HD1 ))
      2.100     0.600     0.600 peak   406 spectrum    1 weight  0.10000E+01 volume  0.89258E-02 ppm1      1.791 ppm2      1.632 CV     1
 OR {  406}
   (( segid " 1SG" and resid 35   and name HB1 ))
   (( segid " 1SG" and resid 35   and name HD2 ))
 OR {  406}
   (( segid " 1SG" and resid 35   and name HB2 ))
   (( segid " 1SG" and resid 35   and name HD1 ))
 OR {  406}
   (( segid " 1SG" and resid 35   and name HB2 ))
   (( segid " 1SG" and resid 35   and name HD2 ))
 ASSI {  414}
   (( segid " 1SG" and resid 33   and name HB2 ))
   (( segid " 1SG" and resid 33   and name HG  ))
      2.200     0.600     0.600 peak   414 spectrum    1 weight  0.10000E+01 volume  0.84428E-02 ppm1      1.739 ppm2      0.923 CV     1
 ASSI {  415}
   (  segid " 1SG" and resid 31   and name HB% )
   (( segid " 1SG" and resid 31   and name HA  ))
      2.100     0.600     0.600 peak   415 spectrum    1 weight  0.10000E+01 volume  0.88028E-02 ppm1      1.537 ppm2      4.174 CV     1
 ASSI {  420}
   (  segid " 1SG" and resid 105  and name HG2%)
   (( segid " 1SG" and resid 105  and name HB  ))
      2.100     0.600     0.600 peak   420 spectrum    1 weight  0.10000E+01 volume  0.86876E-02 ppm1      0.923 ppm2      3.904 CV     1
 ASSI {  425}
   (  segid " 1SG" and resid 76   and name HD1%)
   (  segid " 1SG" and resid 76   and name HG2%)
      2.100     0.600     0.600 peak   425 spectrum    1 weight  0.10000E+01 volume  0.85561E-02 ppm1      0.678 ppm2      0.829 CV     1
 ASSI {  427}
   (  segid " 1SG" and resid 59   and name HD1%)
   (  segid " 1SG" and resid 59   and name HD2%)
      2.200     0.600     0.600 peak   427 spectrum    1 weight  0.10000E+01 volume  0.84903E-02 ppm1      0.863 ppm2      0.716 CV     1
 ASSI {  435}
   (( segid " 1SG" and resid 94   and name HE2 ))
   (( segid " 1SG" and resid 94   and name HD1 ))
      2.100     0.600     0.600 peak   435 spectrum    1 weight  0.10000E+01 volume  0.83283E-02 ppm1      2.967 ppm2      1.689 CV     1
 OR {  435}
   (( segid " 1SG" and resid 94   and name HE2 ))
   (( segid " 1SG" and resid 94   and name HD2 ))
 OR {  435}
   (( segid " 1SG" and resid 94   and name HE1 ))
   (( segid " 1SG" and resid 94   and name HD1 ))
 OR {  435}
   (( segid " 1SG" and resid 94   and name HE1 ))
   (( segid " 1SG" and resid 94   and name HD2 ))
 ASSI {  438}
   (( segid " 1SG" and resid 108  and name HG2 ))
   (  segid " 1SG" and resid 18   and name HG2%)
      2.100     0.500     0.500 peak   438 spectrum    1 weight  0.10000E+01 volume  0.84565E-02 ppm1      2.209 ppm2      0.961 CV     1
 OR {  438}
   (( segid " 1SG" and resid 108  and name HG1 ))
   (  segid " 1SG" and resid 18   and name HG2%)
 OR {  438}
   (( segid " 1SG" and resid 108  and name HG1 ))
   (  segid " 1SG" and resid 18   and name HG1%)
 ASSI {  443}
   (  segid " 1SG" and resid 106  and name HG2%)
   (  segid " 1SG" and resid 106  and name HG1%)
      2.200     0.600     0.600 peak   443 spectrum    1 weight  0.10000E+01 volume  0.81115E-02 ppm1      0.390 ppm2      0.692 CV     1
 ASSI {  449}
   (  segid " 1SG" and resid 71   and name HD1%)
   (( segid " 1SG" and resid 71   and name HB2 ))
      2.100     0.600     0.600 peak   449 spectrum    1 weight  0.10000E+01 volume  0.84565E-02 ppm1      0.863 ppm2      1.307 CV     1
 ASSI {  456}
   (( segid " 1SG" and resid 69   and name HB  ))
   (  segid " 1SG" and resid 69   and name HG2%)
      2.200     0.600     0.600 peak   456 spectrum    1 weight  0.10000E+01 volume  0.78869E-02 ppm1      1.767 ppm2      0.861 CV     1
 OR {  456}
   (( segid " 1SG" and resid 69   and name HB  ))
   (  segid " 1SG" and resid 69   and name HG1%)
 ASSI {  458}
   (  segid " 1SG" and resid 23   and name HG2%)
   (( segid " 1SG" and resid 23   and name HB  ))
      2.200     0.600     0.600 peak   458 spectrum    1 weight  0.10000E+01 volume  0.78596E-02 ppm1      0.783 ppm2      3.578 CV     1
 ASSI {  463}
   (( segid " 1SG" and resid 35   and name HE2 ))
   (( segid " 1SG" and resid 35   and name HD2 ))
      2.100     0.600     0.600 peak   463 spectrum    1 weight  0.10000E+01 volume  0.76735E-02 ppm1      2.950 ppm2      1.649 CV     1
 OR {  463}
   (( segid " 1SG" and resid 35   and name HE1 ))
   (( segid " 1SG" and resid 35   and name HD1 ))
 OR {  463}
   (( segid " 1SG" and resid 35   and name HE1 ))
   (( segid " 1SG" and resid 35   and name HD2 ))
 OR {  463}
   (( segid " 1SG" and resid 35   and name HE2 ))
   (( segid " 1SG" and resid 35   and name HD1 ))
 ASSI {  464}
   (( segid " 1SG" and resid 4    and name HA  ))
   (  segid " 1SG" and resid 4    and name HG2%)
      2.200     0.600     0.600 peak   464 spectrum    1 weight  0.10000E+01 volume  0.84565E-02 ppm1      4.027 ppm2      0.915 CV     1
 ASSI {  478}
   (  segid " 1SG" and resid 84   and name HG2%)
   (( segid " 1SG" and resid 105  and name HA  ))
      2.200     0.600     0.600 peak   478 spectrum    1 weight  0.10000E+01 volume  0.73910E-02 ppm1      1.498 ppm2      4.518 CV     1
 ASSI {  480}
   (( segid " 1SG" and resid 17   and name HB  ))
   (  segid " 1SG" and resid 17   and name HG2%)
      2.200     0.600     0.600 peak   480 spectrum    1 weight  0.10000E+01 volume  0.73649E-02 ppm1      4.089 ppm2      1.298 CV     1
 ASSI {  482}
   (  segid " 1SG" and resid 34   and name HD2%)
   (( segid " 1SG" and resid 34   and name HA  ))
      2.300     0.700     0.700 peak   482 spectrum    1 weight  0.10000E+01 volume  0.73161E-02 ppm1      0.863 ppm2      4.298 CV     1
 OR {  482}
   (  segid " 1SG" and resid 34   and name HD1%)
   (( segid " 1SG" and resid 34   and name HA  ))
 ASSI {  485}
   (  segid " 1SG" and resid 6    and name HD1%)
   (  segid " 1SG" and resid 6    and name HD2%)
      2.200     0.600     0.600 peak   485 spectrum    1 weight  0.10000E+01 volume  0.72491E-02 ppm1      0.674 ppm2      0.488 CV     1
 ASSI {  500}
   (( segid " 1SG" and resid 49   and name HG  ))
   (  segid " 1SG" and resid 49   and name HD1%)
      2.000     0.500     0.500 peak   500 spectrum    1 weight  0.10000E+01 volume  0.84981E-02 ppm1      0.799 ppm2      1.765 CV     1
 ASSI {  501}
   (  segid " 1SG" and resid 91   and name HG2%)
   (( segid " 1SG" and resid 37   and name HB2 ))
      2.100     0.600     0.600 peak   501 spectrum    1 weight  0.10000E+01 volume  0.84597E-02 ppm1      0.184 ppm2      1.380 CV     1
 OR {  501}
   (  segid " 1SG" and resid 91   and name HG1%)
   (( segid " 1SG" and resid 37   and name HB2 ))
 ASSI {  504}
   (  segid " 1SG" and resid 69   and name HG2%)
   (( segid " 1SG" and resid 69   and name HA  ))
      2.200     0.600     0.600 peak   504 spectrum    1 weight  0.10000E+01 volume  0.70160E-02 ppm1      0.862 ppm2      4.593 CV     1
 OR {  504}
   (  segid " 1SG" and resid 69   and name HG1%)
   (( segid " 1SG" and resid 69   and name HA  ))
 ASSI {  507}
   (  segid " 1SG" and resid 38   and name HG2%)
   (( segid " 1SG" and resid 38   and name HB  ))
      2.200     0.600     0.600 peak   507 spectrum    1 weight  0.10000E+01 volume  0.69822E-02 ppm1      0.828 ppm2      1.896 CV     1
 OR {  507}
   (  segid " 1SG" and resid 38   and name HG1%)
   (( segid " 1SG" and resid 38   and name HB  ))
 ASSI {  511}
   (( segid " 1SG" and resid 77   and name HB  ))
   (  segid " 1SG" and resid 77   and name HG2%)
      2.200     0.600     0.600 peak   511 spectrum    1 weight  0.10000E+01 volume  0.69594E-02 ppm1      4.025 ppm2      1.045 CV     1
 ASSI {  515}
   (  segid " 1SG" and resid 47   and name HG2%)
   (  segid " 1SG" and resid 47   and name HG1%)
      2.300     0.700     0.700 peak   515 spectrum    1 weight  0.10000E+01 volume  0.69295E-02 ppm1      0.794 ppm2      0.992 CV     1
 ASSI {  520}
   (  segid " 1SG" and resid 23   and name HG2%)
   (( segid " 1SG" and resid 75   and name HB1 ))
      2.500     2.500     3.500 peak   520 spectrum    1 weight  0.10000E+01 volume  0.84623E-02 ppm1      0.799 ppm2      2.893 CV     1
 OR {  520}
   (  segid " 1SG" and resid 23   and name HG2%)
   (( segid " 1SG" and resid 75   and name HB2 ))
 ASSI {  522}
   (  segid " 1SG" and resid 39   and name HG1%)
   (  segid " 1SG" and resid 39   and name HG2%)
      2.300     0.700     0.700 peak   522 spectrum    1 weight  0.10000E+01 volume  0.68357E-02 ppm1     -0.062 ppm2     -0.447 CV     1
 ASSI {  524}
   (( segid " 1SG" and resid 52   and name HD1 ))
   (( segid " 1SG" and resid 52   and name HG2 ))
      2.200     0.600     0.600 peak   524 spectrum    1 weight  0.10000E+01 volume  0.68110E-02 ppm1      1.579 ppm2      1.341 CV     1
 OR {  524}
   (( segid " 1SG" and resid 52   and name HD2 ))
   (( segid " 1SG" and resid 52   and name HG1 ))
 OR {  524}
   (( segid " 1SG" and resid 52   and name HD2 ))
   (( segid " 1SG" and resid 52   and name HG2 ))
 OR {  524}
   (( segid " 1SG" and resid 52   and name HD1 ))
   (( segid " 1SG" and resid 52   and name HG1 ))
 ASSI {  527}
   (( segid " 1SG" and resid 49   and name HG  ))
   (  segid " 1SG" and resid 59   and name HD1%)
      2.500     2.500     3.500 peak   527 spectrum    1 weight  0.10000E+01 volume  0.84623E-02 ppm1      0.848 ppm2      0.850 CV     1
 ASSI {  541}
   (  segid " 1SG" and resid 59   and name HD2%)
   (  segid " 1SG" and resid 74   and name HD2%)
      2.400     0.700     0.700 peak   541 spectrum    1 weight  0.10000E+01 volume  0.67095E-02 ppm1      0.714 ppm2      0.412 CV     1
 OR {  541}
   (  segid " 1SG" and resid 59   and name HD2%)
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI {  544}
   (( segid " 1SG" and resid 54   and name HA1 ))
   (( segid " 1SG" and resid 54   and name HA2 ))
      2.000     0.500     0.500 peak   544 spectrum    1 weight  0.10000E+01 volume  0.66971E-02 ppm1      3.915 ppm2      4.302 CV     1
 ASSI {  558}
   (  segid " 1SG" and resid 29   and name HB% )
   (( segid " 1SG" and resid 29   and name HA  ))
      2.200     0.600     0.600 peak   558 spectrum    1 weight  0.10000E+01 volume  0.65086E-02 ppm1      1.520 ppm2      4.393 CV     1
 ASSI {  561}
   (( segid " 1SG" and resid 52   and name HD1 ))
   (( segid " 1SG" and resid 43   and name HB2 ))
      2.000     2.000     4.000 peak   561 spectrum    1 weight  0.10000E+01 volume  0.64125E-02 ppm1      1.588 ppm2      1.244 CV     1
 OR {  561}
   (( segid " 1SG" and resid 52   and name HD2 ))
   (( segid " 1SG" and resid 43   and name HB2 ))
 ASSI {  566}
   (  segid " 1SG" and resid 28   and name HG2%)
   (  segid " 1SG" and resid 28   and name HG1%)
      2.300     0.700     0.700 peak   566 spectrum    1 weight  0.10000E+01 volume  0.63778E-02 ppm1      0.653 ppm2      0.826 CV     1
 ASSI {  571}
   (  segid " 1SG" and resid 93   and name HG2%)
   (( segid " 1SG" and resid 93   and name HB  ))
      2.200     0.600     0.600 peak   571 spectrum    1 weight  0.10000E+01 volume  0.63383E-02 ppm1      1.040 ppm2      4.557 CV     1
 ASSI {  572}
   (  segid " 1SG" and resid 104  and name HD2%)
   (  segid " 1SG" and resid 104  and name HD1%)
      2.300     0.700     0.700 peak   572 spectrum    1 weight  0.10000E+01 volume  0.63137E-02 ppm1      0.836 ppm2      0.981 CV     1
 ASSI {  574}
   (  segid " 1SG" and resid 53   and name HG1%)
   (( segid " 1SG" and resid 53   and name HB  ))
      2.200     0.600     0.600 peak   574 spectrum    1 weight  0.10000E+01 volume  0.62826E-02 ppm1      1.080 ppm2      2.129 CV     1
 OR {  574}
   (  segid " 1SG" and resid 53   and name HG2%)
   (( segid " 1SG" and resid 53   and name HB  ))
 ASSI {  580}
   (  segid " 1SG" and resid 79   and name HB% )
   (  segid " 1SG" and resid 16   and name HG2%)
      2.200     0.600     0.600 peak   580 spectrum    1 weight  0.10000E+01 volume  0.84623E-02 ppm1      1.195 ppm2      0.629 CV     1
 ASSI {  581}
   (( segid " 1SG" and resid 67   and name HB2 ))
   (( segid " 1SG" and resid 67   and name HA  ))
      2.300     0.700     0.700 peak   581 spectrum    1 weight  0.10000E+01 volume  0.62026E-02 ppm1      3.729 ppm2      4.301 CV     1
 OR {  581}
   (( segid " 1SG" and resid 67   and name HB1 ))
   (( segid " 1SG" and resid 67   and name HA  ))
 ASSI {  582}
   (( segid " 1SG" and resid 53   and name HB  ))
   (  segid " 1SG" and resid 53   and name HG1%)
      2.300     0.600     0.600 peak   582 spectrum    1 weight  0.10000E+01 volume  0.61977E-02 ppm1      2.134 ppm2      1.116 CV     1
 ASSI {  590}
   (( segid " 1SG" and resid 55   and name HA  ))
   (( segid " 1SG" and resid 55   and name HG1 ))
      2.300     0.700     0.700 peak   590 spectrum    1 weight  0.10000E+01 volume  0.61065E-02 ppm1      4.000 ppm2      1.983 CV     1
 OR {  590}
   (( segid " 1SG" and resid 55   and name HA  ))
   (( segid " 1SG" and resid 55   and name HG2 ))
 ASSI {  594}
   (  segid " 1SG" and resid 76   and name HD1%)
   (  segid " 1SG" and resid 74   and name HD1%)
      2.100     0.600     0.600 peak   594 spectrum    1 weight  0.10000E+01 volume  0.84682E-02 ppm1      0.676 ppm2      0.417 CV     1
 ASSI {  604}
   (( segid " 1SG" and resid 85   and name HA1 ))
   (( segid " 1SG" and resid 85   and name HA2 ))
      2.000     0.500     0.500 peak   604 spectrum    1 weight  0.10000E+01 volume  0.60153E-02 ppm1      3.939 ppm2      4.518 CV     1
 ASSI {  606}
   (( segid " 1SG" and resid 102  and name HA  ))
   (( segid " 1SG" and resid 102  and name HB2 ))
      2.100     0.600     0.600 peak   606 spectrum    1 weight  0.10000E+01 volume  0.84682E-02 ppm1      4.981 ppm2      2.748 CV     1
 ASSI {  611}
   (( segid " 1SG" and resid 20   and name HA2 ))
   (( segid " 1SG" and resid 20   and name HA1 ))
      2.000     0.500     0.500 peak   611 spectrum    1 weight  0.10000E+01 volume  0.59264E-02 ppm1      4.387 ppm2      3.737 CV     1
 ASSI {  613}
   (( segid " 1SG" and resid 3    and name HD2 ))
   (( segid " 1SG" and resid 2    and name HA  ))
      2.300     0.700     0.700 peak   613 spectrum    1 weight  0.10000E+01 volume  0.59020E-02 ppm1      3.854 ppm2      4.913 CV     1
 OR {  613}
   (( segid " 1SG" and resid 3    and name HD1 ))
   (( segid " 1SG" and resid 2    and name HA  ))
 ASSI {  617}
   (( segid " 1SG" and resid 84   and name HB  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      2.300     0.700     0.700 peak   617 spectrum    1 weight  0.10000E+01 volume  0.58505E-02 ppm1      4.220 ppm2      1.497 CV     1
 ASSI {  623}
   (( segid " 1SG" and resid 38   and name HB  ))
   (  segid " 1SG" and resid 38   and name HG2%)
      2.300     0.600     0.600 peak   623 spectrum    1 weight  0.10000E+01 volume  0.57968E-02 ppm1      1.893 ppm2      0.790 CV     1
 ASSI {  625}
   (( segid " 1SG" and resid 49   and name HG  ))
   (  segid " 1SG" and resid 49   and name HD2%)
      2.200     0.600     0.600 peak   625 spectrum    1 weight  0.10000E+01 volume  0.57539E-02 ppm1      0.805 ppm2      1.028 CV     1
 ASSI {  628}
   (  segid " 1SG" and resid 91   and name HG1%)
   (  segid " 1SG" and resid 39   and name HG2%)
      2.300     0.700     0.700 peak   628 spectrum    1 weight  0.10000E+01 volume  0.56995E-02 ppm1      0.172 ppm2     -0.446 CV     1
 OR {  628}
   (  segid " 1SG" and resid 91   and name HG2%)
   (  segid " 1SG" and resid 39   and name HG2%)
 ASSI {  630}
   (  segid " 1SG" and resid 79   and name HB% )
   (( segid " 1SG" and resid 79   and name HA  ))
      2.300     0.600     0.600 peak   630 spectrum    1 weight  0.10000E+01 volume  0.56108E-02 ppm1      1.196 ppm2      3.690 CV     1
 ASSI {  645}
   (( segid " 1SG" and resid 8    and name HB  ))
   (  segid " 1SG" and resid 8    and name HG2%)
      2.300     0.600     0.600 peak   645 spectrum    1 weight  0.10000E+01 volume  0.54454E-02 ppm1      1.825 ppm2      0.967 CV     1
 OR {  645}
   (( segid " 1SG" and resid 8    and name HB  ))
   (  segid " 1SG" and resid 8    and name HG1%)
 ASSI {  647}
   (( segid " 1SG" and resid 15   and name HB1 ))
   (( segid " 1SG" and resid 15   and name HG2 ))
      2.300     0.700     0.700 peak   647 spectrum    1 weight  0.10000E+01 volume  0.54329E-02 ppm1      2.041 ppm2      2.277 CV     1
 OR {  647}
   (( segid " 1SG" and resid 15   and name HB2 ))
   (( segid " 1SG" and resid 15   and name HG1 ))
 OR {  647}
   (( segid " 1SG" and resid 15   and name HB1 ))
   (( segid " 1SG" and resid 15   and name HG1 ))
 OR {  647}
   (( segid " 1SG" and resid 15   and name HB2 ))
   (( segid " 1SG" and resid 15   and name HG2 ))
 ASSI {  649}
   (  segid " 1SG" and resid 105  and name HG2%)
   (( segid " 1SG" and resid 105  and name HA  ))
      2.300     0.700     0.700 peak   649 spectrum    1 weight  0.10000E+01 volume  0.54142E-02 ppm1      0.923 ppm2      4.518 CV     1
 ASSI {  650}
   (( segid " 1SG" and resid 4    and name HG12))
   (( segid " 1SG" and resid 96   and name HB2 ))
      2.500     2.500     3.500 peak   650 spectrum    1 weight  0.10000E+01 volume  0.54141E-02 ppm1      1.248 ppm2      1.588 CV     1
 ASSI {  651}
   (  segid " 1SG" and resid 8    and name HG1%)
   (( segid " 1SG" and resid 8    and name HA  ))
      2.400     0.700     0.700 peak   651 spectrum    1 weight  0.10000E+01 volume  0.53919E-02 ppm1      0.964 ppm2      4.174 CV     1
 OR {  651}
   (  segid " 1SG" and resid 8    and name HG2%)
   (( segid " 1SG" and resid 8    and name HA  ))
 ASSI {  653}
   (  segid " 1SG" and resid 57   and name HD1%)
   (  segid " 1SG" and resid 74   and name HD1%)
      2.400     0.700     0.700 peak   653 spectrum    1 weight  0.10000E+01 volume  0.53765E-02 ppm1      0.612 ppm2      0.416 CV     1
 OR {  653}
   (  segid " 1SG" and resid 57   and name HD2%)
   (  segid " 1SG" and resid 74   and name HD1%)
 OR {  653}
   (  segid " 1SG" and resid 57   and name HD2%)
   (  segid " 1SG" and resid 74   and name HD2%)
 ASSI {  655}
   (( segid " 1SG" and resid 92   and name HB2 ))
   (( segid " 1SG" and resid 92   and name HA  ))
      2.300     0.700     0.700 peak   655 spectrum    1 weight  0.10000E+01 volume  0.53629E-02 ppm1      3.943 ppm2      5.264 CV     1
 OR {  655}
   (( segid " 1SG" and resid 92   and name HB1 ))
   (( segid " 1SG" and resid 92   and name HA  ))
 ASSI {  656}
   (( segid " 1SG" and resid 38   and name HB  ))
   (  segid " 1SG" and resid 38   and name HG1%)
      2.300     0.700     0.700 peak   656 spectrum    1 weight  0.10000E+01 volume  0.53525E-02 ppm1      1.893 ppm2      0.842 CV     1
 ASSI {  660}
   (( segid " 1SG" and resid 18   and name HB  ))
   (  segid " 1SG" and resid 18   and name HG1%)
      2.300     0.700     0.700 peak   660 spectrum    1 weight  0.10000E+01 volume  0.52774E-02 ppm1      1.940 ppm2      1.009 CV     1
 ASSI {  662}
   (  segid " 1SG" and resid 6    and name HD1%)
   (( segid " 1SG" and resid 6    and name HG  ))
      2.300     0.700     0.700 peak   662 spectrum    1 weight  0.10000E+01 volume  0.52394E-02 ppm1      0.671 ppm2      1.331 CV     1
 ASSI {  667}
   (( segid " 1SG" and resid 94   and name HE1 ))
   (( segid " 1SG" and resid 94   and name HG1 ))
      2.400     0.700     0.700 peak   667 spectrum    1 weight  0.10000E+01 volume  0.51872E-02 ppm1      2.982 ppm2      1.410 CV     1
 OR {  667}
   (( segid " 1SG" and resid 94   and name HE1 ))
   (( segid " 1SG" and resid 94   and name HG2 ))
 OR {  667}
   (( segid " 1SG" and resid 94   and name HE2 ))
   (( segid " 1SG" and resid 94   and name HG1 ))
 OR {  667}
   (( segid " 1SG" and resid 94   and name HE2 ))
   (( segid " 1SG" and resid 94   and name HG2 ))
 ASSI {  669}
   (( segid " 1SG" and resid 18   and name HB  ))
   (  segid " 1SG" and resid 18   and name HG1%)
      2.300     0.700     0.700 peak   669 spectrum    1 weight  0.10000E+01 volume  0.51733E-02 ppm1      1.940 ppm2      0.968 CV     1
 OR {  669}
   (( segid " 1SG" and resid 18   and name HB  ))
   (  segid " 1SG" and resid 18   and name HG2%)
 ASSI {  676}
   (( segid " 1SG" and resid 32   and name HB2 ))
   (( segid " 1SG" and resid 33   and name HA  ))
      2.500     2.500     3.500 peak   676 spectrum    1 weight  0.10000E+01 volume  0.51179E-02 ppm1      3.910 ppm2      4.466 CV     1
 OR {  676}
   (( segid " 1SG" and resid 32   and name HB1 ))
   (( segid " 1SG" and resid 33   and name HA  ))
 ASSI {  677}
   (  segid " 1SG" and resid 104  and name HD1%)
   (  segid " 1SG" and resid 22   and name HG2%)
      2.300     0.700     0.700 peak   677 spectrum    1 weight  0.10000E+01 volume  0.51178E-02 ppm1      0.982 ppm2      0.547 CV     1
 ASSI {  680}
   (( segid " 1SG" and resid 33   and name HA  ))
   (  segid " 1SG" and resid 33   and name HD2%)
      2.500     0.800     0.800 peak   680 spectrum    1 weight  0.10000E+01 volume  0.51082E-02 ppm1      4.455 ppm2      0.875 CV     1
 OR {  680}
   (( segid " 1SG" and resid 33   and name HA  ))
   (( segid " 1SG" and resid 33   and name HG  ))
 OR {  680}
   (( segid " 1SG" and resid 33   and name HA  ))
   (  segid " 1SG" and resid 33   and name HD1%)
 ASSI {  681}
   (( segid " 1SG" and resid 68   and name HG1 ))
   (( segid " 1SG" and resid 68   and name HD1 ))
      2.300     0.600     0.600 peak   681 spectrum    1 weight  0.10000E+01 volume  0.51075E-02 ppm1      1.326 ppm2      1.682 CV     1
 OR {  681}
   (( segid " 1SG" and resid 68   and name HG2 ))
   (( segid " 1SG" and resid 68   and name HD2 ))
 OR {  681}
   (( segid " 1SG" and resid 68   and name HG2 ))
   (( segid " 1SG" and resid 68   and name HD1 ))
 OR {  681}
   (( segid " 1SG" and resid 68   and name HG1 ))
   (( segid " 1SG" and resid 68   and name HD2 ))
 ASSI {  682}
   (  segid " 1SG" and resid 57   and name HD1%)
   (( segid " 1SG" and resid 57   and name HB2 ))
      2.300     0.700     0.700 peak   682 spectrum    1 weight  0.10000E+01 volume  0.51062E-02 ppm1      0.614 ppm2      1.465 CV     1
 OR {  682}
   (  segid " 1SG" and resid 57   and name HD2%)
   (( segid " 1SG" and resid 57   and name HB2 ))
 ASSI {  684}
   (  segid " 1SG" and resid 53   and name HG1%)
   (( segid " 1SG" and resid 53   and name HA  ))
      2.100     0.600     0.600 peak   684 spectrum    1 weight  0.10000E+01 volume  0.84682E-02 ppm1      1.079 ppm2      4.054 CV     1
 OR {  684}
   (  segid " 1SG" and resid 53   and name HG2%)
   (( segid " 1SG" and resid 53   and name HA  ))
 ASSI {  685}
   (( segid " 1SG" and resid 44   and name HA1 ))
   (( segid " 1SG" and resid 44   and name HA2 ))
      2.000     0.500     0.500 peak   685 spectrum    1 weight  0.10000E+01 volume  0.50887E-02 ppm1      3.476 ppm2      3.825 CV     1
 ASSI {  689}
   (  segid " 1SG" and resid 57   and name HD2%)
   (( segid " 1SG" and resid 57   and name HG  ))
      2.200     0.600     0.600 peak   689 spectrum    1 weight  0.10000E+01 volume  0.50613E-02 ppm1      0.618 ppm2      0.749 CV     1
 OR {  689}
   (  segid " 1SG" and resid 57   and name HD1%)
   (( segid " 1SG" and resid 57   and name HG  ))
 ASSI {  690}
   (  segid " 1SG" and resid 53   and name HG1%)
   (  segid " 1SG" and resid 59   and name HD1%)
      2.400     0.700     0.700 peak   690 spectrum    1 weight  0.10000E+01 volume  0.84682E-02 ppm1      1.118 ppm2      0.869 CV     1
 ASSI {  691}
   (  segid " 1SG" and resid 53   and name HG1%)
   (  segid " 1SG" and resid 57   and name HD2%)
      2.500     0.800     0.800 peak   691 spectrum    1 weight  0.10000E+01 volume  0.84682E-02 ppm1      1.118 ppm2      0.614 CV     1
 OR {  691}
   (  segid " 1SG" and resid 53   and name HG1%)
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI {  692}
   (  segid " 1SG" and resid 53   and name HG1%)
   (  segid " 1SG" and resid 53   and name HG2%)
      2.200     0.600     0.600 peak   692 spectrum    1 weight  0.10000E+01 volume  0.84682E-02 ppm1      1.122 ppm2      1.070 CV     1
 ASSI {  695}
   (  segid " 1SG" and resid 53   and name HG1%)
   (  segid " 1SG" and resid 57   and name HD1%)
      2.400     0.700     0.700 peak   695 spectrum    1 weight  0.10000E+01 volume  0.50002E-02 ppm1      1.077 ppm2      0.618 CV     1
 OR {  695}
   (  segid " 1SG" and resid 53   and name HG2%)
   (  segid " 1SG" and resid 57   and name HD2%)
 OR {  695}
   (  segid " 1SG" and resid 53   and name HG2%)
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI {  699}
   (  segid " 1SG" and resid 53   and name HG1%)
   (( segid " 1SG" and resid 53   and name HA  ))
      2.300     0.600     0.600 peak   699 spectrum    1 weight  0.10000E+01 volume  0.84682E-02 ppm1      1.119 ppm2      4.050 CV     1
 ASSI {  712}
   (( segid " 1SG" and resid 27   and name HD1 ))
   (( segid " 1SG" and resid 27   and name HB1 ))
      2.300     0.700     0.700 peak   712 spectrum    1 weight  0.10000E+01 volume  0.48605E-02 ppm1      3.128 ppm2      1.583 CV     1
 OR {  712}
   (( segid " 1SG" and resid 27   and name HD2 ))
   (( segid " 1SG" and resid 27   and name HB2 ))
 OR {  712}
   (( segid " 1SG" and resid 27   and name HD1 ))
   (( segid " 1SG" and resid 27   and name HB2 ))
 OR {  712}
   (( segid " 1SG" and resid 27   and name HD2 ))
   (( segid " 1SG" and resid 27   and name HB1 ))
 ASSI {  731}
   (  segid " 1SG" and resid 91   and name HG2%)
   (( segid " 1SG" and resid 91   and name HB  ))
      2.300     0.700     0.700 peak   731 spectrum    1 weight  0.10000E+01 volume  0.47633E-02 ppm1      0.175 ppm2      1.130 CV     1
 OR {  731}
   (  segid " 1SG" and resid 91   and name HG1%)
   (( segid " 1SG" and resid 91   and name HB  ))
 ASSI {  736}
   (  segid " 1SG" and resid 71   and name HD1%)
   (( segid " 1SG" and resid 8    and name HB  ))
      1.900     1.900     4.100 peak   736 spectrum    1 weight  0.10000E+01 volume  0.84845E-02 ppm1      0.874 ppm2      1.822 CV     1
 ASSI {  739}
   (( segid " 1SG" and resid 14   and name HA2 ))
   (( segid " 1SG" and resid 14   and name HA1 ))
      2.100     0.500     0.500 peak   739 spectrum    1 weight  0.10000E+01 volume  0.47241E-02 ppm1      4.937 ppm2      3.749 CV     1
 ASSI {  742}
   (( segid " 1SG" and resid 4    and name HG12))
   (  segid " 1SG" and resid 4    and name HD1%)
      2.400     0.700     0.700 peak   742 spectrum    1 weight  0.10000E+01 volume  0.47095E-02 ppm1      1.241 ppm2      0.966 CV     1
 ASSI {  743}
   (  segid " 1SG" and resid 16   and name HG1%)
   (  segid " 1SG" and resid 22   and name HG2%)
      2.500     0.800     0.800 peak   743 spectrum    1 weight  0.10000E+01 volume  0.47045E-02 ppm1      0.989 ppm2      0.551 CV     1
 OR {  743}
   (  segid " 1SG" and resid 16   and name HG1%)
   (  segid " 1SG" and resid 22   and name HD1%)
 ASSI {  745}
   (( segid " 1SG" and resid 43   and name HE2 ))
   (( segid " 1SG" and resid 43   and name HG2 ))
      2.100     0.500     0.500 peak   745 spectrum    1 weight  0.10000E+01 volume  0.84955E-02 ppm1      2.518 ppm2      0.081 CV     1
 ASSI {  751}
   (  segid " 1SG" and resid 93   and name HG2%)
   (  segid " 1SG" and resid 6    and name HD1%)
      2.400     0.700     0.700 peak   751 spectrum    1 weight  0.10000E+01 volume  0.46592E-02 ppm1      1.039 ppm2      0.675 CV     1
 ASSI {  760}
   (( segid " 1SG" and resid 68   and name HD1 ))
   (( segid " 1SG" and resid 68   and name HE1 ))
      2.400     0.700     0.700 peak   760 spectrum    1 weight  0.10000E+01 volume  0.45924E-02 ppm1      1.678 ppm2      3.029 CV     1
 OR {  760}
   (( segid " 1SG" and resid 68   and name HD2 ))
   (( segid " 1SG" and resid 68   and name HE2 ))
 OR {  760}
   (( segid " 1SG" and resid 68   and name HD2 ))
   (( segid " 1SG" and resid 68   and name HE1 ))
 OR {  760}
   (( segid " 1SG" and resid 68   and name HD1 ))
   (( segid " 1SG" and resid 68   and name HE2 ))
 ASSI {  761}
   (  segid " 1SG" and resid 6    and name HD1%)
   (( segid " 1SG" and resid 6    and name HA  ))
      2.400     0.700     0.700 peak   761 spectrum    1 weight  0.10000E+01 volume  0.45751E-02 ppm1      0.673 ppm2      4.461 CV     1
 ASSI {  765}
   (  segid " 1SG" and resid 79   and name HB% )
   (  segid " 1SG" and resid 106  and name HG1%)
      2.500     0.800     0.800 peak   765 spectrum    1 weight  0.10000E+01 volume  0.45520E-02 ppm1      1.194 ppm2      0.689 CV     1
 ASSI {  772}
   (  segid " 1SG" and resid 6    and name HD2%)
   (( segid " 1SG" and resid 6    and name HG  ))
      2.300     0.700     0.700 peak   772 spectrum    1 weight  0.10000E+01 volume  0.45085E-02 ppm1      0.496 ppm2      1.330 CV     1
 ASSI {  773}
   (( segid " 1SG" and resid 93   and name HB  ))
   (( segid " 1SG" and resid 93   and name HA  ))
      2.400     0.700     0.700 peak   773 spectrum    1 weight  0.10000E+01 volume  0.44981E-02 ppm1      4.558 ppm2      4.791 CV     1
 ASSI {  776}
   (( segid " 1SG" and resid 108  and name HG2 ))
   (( segid " 1SG" and resid 108  and name HB2 ))
      2.400     0.700     0.700 peak   776 spectrum    1 weight  0.10000E+01 volume  0.44856E-02 ppm1      2.213 ppm2      1.913 CV     1
 OR {  776}
   (( segid " 1SG" and resid 108  and name HG1 ))
   (( segid " 1SG" and resid 108  and name HB2 ))
 ASSI {  777}
   (( segid " 1SG" and resid 65   and name HD2 ))
   (( segid " 1SG" and resid 65   and name HB1 ))
      2.600     0.800     0.800 peak   777 spectrum    1 weight  0.10000E+01 volume  0.44837E-02 ppm1      3.235 ppm2      1.762 CV     1
 OR {  777}
   (( segid " 1SG" and resid 65   and name HD1 ))
   (( segid " 1SG" and resid 65   and name HB1 ))
 OR {  777}
   (( segid " 1SG" and resid 65   and name HD2 ))
   (( segid " 1SG" and resid 65   and name HB2 ))
 OR {  777}
   (( segid " 1SG" and resid 65   and name HD1 ))
   (( segid " 1SG" and resid 65   and name HB2 ))
 ASSI {  781}
   (  segid " 1SG" and resid 18   and name HG2%)
   (( segid " 1SG" and resid 18   and name HA  ))
      2.400     0.700     0.700 peak   781 spectrum    1 weight  0.10000E+01 volume  0.44714E-02 ppm1      0.966 ppm2      3.511 CV     1
 ASSI {  785}
   (( segid " 1SG" and resid 16   and name HA  ))
   (  segid " 1SG" and resid 16   and name HG1%)
      2.600     0.800     0.800 peak   785 spectrum    1 weight  0.10000E+01 volume  0.44580E-02 ppm1      4.604 ppm2      0.981 CV     1
 ASSI {  787}
   (( segid " 1SG" and resid 61   and name HB2 ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      2.800     2.800     3.200 peak   787 spectrum    1 weight  0.10000E+01 volume  0.44453E-02 ppm1      2.304 ppm2      2.785 CV     1
 ASSI {  794}
   (( segid " 1SG" and resid 38   and name HA  ))
   (  segid " 1SG" and resid 38   and name HG1%)
      2.400     0.700     0.700 peak   794 spectrum    1 weight  0.10000E+01 volume  0.44020E-02 ppm1      3.904 ppm2      0.841 CV     1
 ASSI {  795}
   (( segid " 1SG" and resid 30   and name HA1 ))
   (( segid " 1SG" and resid 30   and name HA2 ))
      2.100     0.600     0.600 peak   795 spectrum    1 weight  0.10000E+01 volume  0.44018E-02 ppm1      3.952 ppm2      4.673 CV     1
 ASSI {  798}
   (( segid " 1SG" and resid 35   and name HE1 ))
   (  segid " 1SG" and resid 38   and name HG2%)
      2.400     0.700     0.700 peak   798 spectrum    1 weight  0.10000E+01 volume  0.43961E-02 ppm1      2.906 ppm2      0.791 CV     1
 OR {  798}
   (( segid " 1SG" and resid 35   and name HE2 ))
   (  segid " 1SG" and resid 38   and name HG2%)
 ASSI {  801}
   (  segid " 1SG" and resid 28   and name HG2%)
   (  segid " 1SG" and resid 91   and name HG1%)
      2.500     0.800     0.800 peak   801 spectrum    1 weight  0.10000E+01 volume  0.43781E-02 ppm1      0.651 ppm2      0.165 CV     1
 OR {  801}
   (  segid " 1SG" and resid 28   and name HG2%)
   (  segid " 1SG" and resid 91   and name HG2%)
 ASSI {  804}
   (  segid " 1SG" and resid 91   and name HG2%)
   (  segid " 1SG" and resid 6    and name HD2%)
      2.400     0.700     0.700 peak   804 spectrum    1 weight  0.10000E+01 volume  0.43691E-02 ppm1      0.186 ppm2      0.489 CV     1
 OR {  804}
   (  segid " 1SG" and resid 91   and name HG1%)
   (  segid " 1SG" and resid 6    and name HD2%)
 ASSI {  808}
   (( segid " 1SG" and resid 57   and name HG  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      2.300     0.700     0.700 peak   808 spectrum    1 weight  0.10000E+01 volume  0.43418E-02 ppm1      0.750 ppm2      1.460 CV     1
 ASSI {  814}
   (( segid " 1SG" and resid 34   and name HA  ))
   (( segid " 1SG" and resid 34   and name HB2 ))
      2.400     0.700     0.700 peak   814 spectrum    1 weight  0.10000E+01 volume  0.43224E-02 ppm1      4.298 ppm2      1.673 CV     1
 OR {  814}
   (( segid " 1SG" and resid 34   and name HA  ))
   (( segid " 1SG" and resid 34   and name HB1 ))
 ASSI {  818}
   (( segid " 1SG" and resid 12   and name HG2 ))
   (( segid " 1SG" and resid 12   and name HB2 ))
      2.400     0.700     0.700 peak   818 spectrum    1 weight  0.10000E+01 volume  0.43039E-02 ppm1      2.482 ppm2      1.977 CV     1
 OR {  818}
   (( segid " 1SG" and resid 12   and name HG1 ))
   (( segid " 1SG" and resid 12   and name HB2 ))
 ASSI {  826}
   (  segid " 1SG" and resid 26   and name HB% )
   (( segid " 1SG" and resid 26   and name HA  ))
      2.300     0.700     0.700 peak   826 spectrum    1 weight  0.10000E+01 volume  0.42513E-02 ppm1      1.469 ppm2      4.924 CV     1
 ASSI {  828}
   (( segid " 1SG" and resid 80   and name HG1 ))
   (( segid " 1SG" and resid 80   and name HB2 ))
      2.400     0.700     0.700 peak   828 spectrum    1 weight  0.10000E+01 volume  0.42197E-02 ppm1      2.181 ppm2      1.949 CV     1
 OR {  828}
   (( segid " 1SG" and resid 80   and name HG2 ))
   (( segid " 1SG" and resid 80   and name HB1 ))
 OR {  828}
   (( segid " 1SG" and resid 80   and name HG1 ))
   (( segid " 1SG" and resid 80   and name HB1 ))
 OR {  828}
   (( segid " 1SG" and resid 80   and name HG2 ))
   (( segid " 1SG" and resid 80   and name HB2 ))
 ASSI {  833}
   (  segid " 1SG" and resid 47   and name HG2%)
   (( segid " 1SG" and resid 47   and name HB  ))
      2.400     0.700     0.700 peak   833 spectrum    1 weight  0.10000E+01 volume  0.41220E-02 ppm1      0.794 ppm2      2.534 CV     1
 ASSI {  836}
   (  segid " 1SG" and resid 4    and name HG2%)
   (( segid " 1SG" and resid 4    and name HB  ))
      2.300     0.700     0.700 peak   836 spectrum    1 weight  0.10000E+01 volume  0.40846E-02 ppm1      0.914 ppm2      2.051 CV     1
 ASSI {  837}
   (  segid " 1SG" and resid 33   and name HD2%)
   (  segid " 1SG" and resid 93   and name HG2%)
      2.400     0.700     0.700 peak   837 spectrum    1 weight  0.10000E+01 volume  0.40835E-02 ppm1      0.872 ppm2      1.036 CV     1
 OR {  837}
   (  segid " 1SG" and resid 33   and name HD1%)
   (  segid " 1SG" and resid 93   and name HG2%)
 ASSI {  852}
   (( segid " 1SG" and resid 45   and name HD2 ))
   (( segid " 1SG" and resid 45   and name HG2 ))
      2.400     0.700     0.700 peak   852 spectrum    1 weight  0.10000E+01 volume  0.40167E-02 ppm1      1.241 ppm2      0.603 CV     1
 OR {  852}
   (( segid " 1SG" and resid 45   and name HD1 ))
   (( segid " 1SG" and resid 45   and name HG2 ))
 OR {  852}
   (( segid " 1SG" and resid 45   and name HD1 ))
   (( segid " 1SG" and resid 45   and name HB2 ))
 OR {  852}
   (( segid " 1SG" and resid 45   and name HD2 ))
   (( segid " 1SG" and resid 45   and name HB2 ))
 ASSI {  854}
   (  segid " 1SG" and resid 39   and name HG2%)
   (( segid " 1SG" and resid 39   and name HB  ))
      2.400     0.700     0.700 peak   854 spectrum    1 weight  0.10000E+01 volume  0.39941E-02 ppm1     -0.446 ppm2      0.589 CV     1
 ASSI {  857}
   (  segid " 1SG" and resid 47   and name HG1%)
   (( segid " 1SG" and resid 47   and name HB  ))
      2.400     0.700     0.700 peak   857 spectrum    1 weight  0.10000E+01 volume  0.39555E-02 ppm1      0.995 ppm2      2.528 CV     1
 ASSI {  867}
   (  segid " 1SG" and resid 59   and name HD2%)
   (( segid " 1SG" and resid 59   and name HA  ))
      2.500     0.800     0.800 peak   867 spectrum    1 weight  0.10000E+01 volume  0.38908E-02 ppm1      0.713 ppm2      5.190 CV     1
 ASSI {  871}
   (  segid " 1SG" and resid 74   and name HD1%)
   (  segid " 1SG" and resid 57   and name HD1%)
      2.500     0.800     0.800 peak   871 spectrum    1 weight  0.10000E+01 volume  0.38758E-02 ppm1      0.412 ppm2      0.618 CV     1
 OR {  871}
   (  segid " 1SG" and resid 74   and name HD1%)
   (  segid " 1SG" and resid 57   and name HD2%)
 ASSI {  874}
   (( segid " 1SG" and resid 4    and name HB  ))
   (  segid " 1SG" and resid 4    and name HG2%)
      2.300     0.700     0.700 peak   874 spectrum    1 weight  0.10000E+01 volume  0.38609E-02 ppm1      2.054 ppm2      0.917 CV     1
 OR {  874}
   (( segid " 1SG" and resid 4    and name HB  ))
   (  segid " 1SG" and resid 4    and name HD1%)
 ASSI {  877}
   (( segid " 1SG" and resid 58   and name HG2 ))
   (( segid " 1SG" and resid 55   and name HG2 ))
      2.200     2.200     3.800 peak   877 spectrum    1 weight  0.10000E+01 volume  0.38415E-02 ppm1      1.820 ppm2      2.047 CV     1
 OR {  877}
   (( segid " 1SG" and resid 58   and name HG2 ))
   (( segid " 1SG" and resid 55   and name HG1 ))
 ASSI {  880}
   (  segid " 1SG" and resid 18   and name HG1%)
   (( segid " 1SG" and resid 18   and name HA  ))
      2.500     0.800     0.800 peak   880 spectrum    1 weight  0.10000E+01 volume  0.38183E-02 ppm1      1.011 ppm2      3.517 CV     1
 ASSI {  882}
   (( segid " 1SG" and resid 38   and name HA  ))
   (  segid " 1SG" and resid 38   and name HG2%)
      2.500     0.800     0.800 peak   882 spectrum    1 weight  0.10000E+01 volume  0.38109E-02 ppm1      3.900 ppm2      0.791 CV     1
 ASSI {  885}
   (( segid " 1SG" and resid 62   and name HB2 ))
   (( segid " 1SG" and resid 62   and name HA  ))
      2.600     0.900     0.900 peak   885 spectrum    1 weight  0.10000E+01 volume  0.37981E-02 ppm1      3.814 ppm2      4.609 CV     1
 ASSI {  887}
   (  segid " 1SG" and resid 93   and name HG2%)
   (( segid " 1SG" and resid 93   and name HA  ))
      2.400     0.700     0.700 peak   887 spectrum    1 weight  0.10000E+01 volume  0.37961E-02 ppm1      1.040 ppm2      4.794 CV     1
 ASSI {  892}
   (( segid " 1SG" and resid 18   and name HB  ))
   (( segid " 1SG" and resid 17   and name HB  ))
      2.700     2.700     3.300 peak   892 spectrum    1 weight  0.10000E+01 volume  0.37774E-02 ppm1      1.932 ppm2      4.041 CV     1
 ASSI {  894}
   (( segid " 1SG" and resid 52   and name HD2 ))
   (  segid " 1SG" and resid 47   and name HG1%)
      2.500     2.500     3.500 peak   894 spectrum    1 weight  0.10000E+01 volume  0.37627E-02 ppm1      1.585 ppm2      0.965 CV     1
 OR {  894}
   (( segid " 1SG" and resid 52   and name HD1 ))
   (  segid " 1SG" and resid 47   and name HG1%)
 ASSI {  895}
   (( segid " 1SG" and resid 49   and name HG  ))
   (( segid " 1SG" and resid 49   and name HB2 ))
      2.400     0.700     0.700 peak   895 spectrum    1 weight  0.10000E+01 volume  0.37589E-02 ppm1      0.800 ppm2      1.561 CV     1
 ASSI {  896}
   (  segid " 1SG" and resid 106  and name HG2%)
   (( segid " 1SG" and resid 106  and name HB  ))
      2.400     0.700     0.700 peak   896 spectrum    1 weight  0.10000E+01 volume  0.37571E-02 ppm1      0.392 ppm2      1.861 CV     1
 ASSI {  897}
   (  segid " 1SG" and resid 4    and name HD1%)
   (( segid " 1SG" and resid 96   and name HB2 ))
      2.700     2.700     3.300 peak   897 spectrum    1 weight  0.10000E+01 volume  0.37529E-02 ppm1      0.965 ppm2      1.581 CV     1
 ASSI {  898}
   (  segid " 1SG" and resid 106  and name HG1%)
   (  segid " 1SG" and resid 104  and name HD2%)
      2.200     0.600     0.600 peak   898 spectrum    1 weight  0.10000E+01 volume  0.37497E-02 ppm1      0.694 ppm2      0.836 CV     1
 ASSI {  902}
   (( segid " 1SG" and resid 96   and name HB2 ))
   (( segid " 1SG" and resid 94   and name HD1 ))
      2.400     2.400     3.600 peak   902 spectrum    1 weight  0.10000E+01 volume  0.37332E-02 ppm1      1.580 ppm2      1.690 CV     1
 OR {  902}
   (( segid " 1SG" and resid 96   and name HB2 ))
   (( segid " 1SG" and resid 94   and name HD2 ))
 ASSI {  908}
   (  segid " 1SG" and resid 106  and name HG1%)
   (( segid " 1SG" and resid 106  and name HB  ))
      2.400     0.700     0.700 peak   908 spectrum    1 weight  0.10000E+01 volume  0.36816E-02 ppm1      0.695 ppm2      1.859 CV     1
 ASSI {  910}
   (( segid " 1SG" and resid 96   and name HB2 ))
   (( segid " 1SG" and resid 96   and name HG2 ))
      2.300     0.700     0.700 peak   910 spectrum    1 weight  0.10000E+01 volume  0.36518E-02 ppm1      1.587 ppm2      1.335 CV     1
 OR {  910}
   (( segid " 1SG" and resid 96   and name HB2 ))
   (( segid " 1SG" and resid 96   and name HG1 ))
 ASSI {  913}
   (  segid " 1SG" and resid 59   and name HD1%)
   (( segid " 1SG" and resid 59   and name HG  ))
      2.400     0.700     0.700 peak   913 spectrum    1 weight  0.10000E+01 volume  0.36305E-02 ppm1      0.866 ppm2      1.440 CV     1
 ASSI {  924}
   (( segid " 1SG" and resid 47   and name HA  ))
   (  segid " 1SG" and resid 47   and name HG1%)
      2.600     0.800     0.800 peak   924 spectrum    1 weight  0.10000E+01 volume  0.35663E-02 ppm1      4.069 ppm2      0.995 CV     1
 ASSI {  931}
   (( segid " 1SG" and resid 65   and name HB1 ))
   (( segid " 1SG" and resid 65   and name HA  ))
      2.500     0.800     0.800 peak   931 spectrum    1 weight  0.10000E+01 volume  0.35523E-02 ppm1      1.768 ppm2      3.458 CV     1
 OR {  931}
   (( segid " 1SG" and resid 65   and name HB2 ))
   (( segid " 1SG" and resid 65   and name HA  ))
 ASSI {  932}
   (  segid " 1SG" and resid 71   and name HD1%)
   (( segid " 1SG" and resid 71   and name HA  ))
      2.400     0.700     0.700 peak   932 spectrum    1 weight  0.10000E+01 volume  0.35522E-02 ppm1      0.861 ppm2      5.068 CV     1
 ASSI {  934}
   (  segid " 1SG" and resid 39   and name HG1%)
   (( segid " 1SG" and resid 39   and name HB  ))
      2.500     0.800     0.800 peak   934 spectrum    1 weight  0.10000E+01 volume  0.35460E-02 ppm1     -0.065 ppm2      0.591 CV     1
 ASSI {  935}
   (( segid " 1SG" and resid 49   and name HG  ))
   (( segid " 1SG" and resid 49   and name HA  ))
      2.400     0.700     0.700 peak   935 spectrum    1 weight  0.10000E+01 volume  0.35428E-02 ppm1      0.803 ppm2      3.862 CV     1
 ASSI {  937}
   (( segid " 1SG" and resid 86   and name HA1 ))
   (( segid " 1SG" and resid 86   and name HA2 ))
      2.100     0.600     0.600 peak   937 spectrum    1 weight  0.10000E+01 volume  0.35117E-02 ppm1      3.487 ppm2      4.665 CV     1
 ASSI {  940}
   (  segid " 1SG" and resid 77   and name HG2%)
   (( segid " 1SG" and resid 78   and name HA  ))
      3.200     3.200     2.800 peak   940 spectrum    1 weight  0.10000E+01 volume  0.34987E-02 ppm1      1.079 ppm2      4.117 CV     1
 ASSI {  944}
   (( segid " 1SG" and resid 51   and name HA  ))
   (( segid " 1SG" and resid 51   and name HB2 ))
      2.600     0.800     0.800 peak   944 spectrum    1 weight  0.10000E+01 volume  0.34642E-02 ppm1      4.566 ppm2      4.025 CV     1
 ASSI {  947}
   (( segid " 1SG" and resid 16   and name HB  ))
   (  segid " 1SG" and resid 16   and name HG1%)
      2.500     0.800     0.800 peak   947 spectrum    1 weight  0.10000E+01 volume  0.34435E-02 ppm1      1.819 ppm2      0.980 CV     1
 ASSI {  949}
   (( segid " 1SG" and resid 16   and name HB  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      2.500     0.800     0.800 peak   949 spectrum    1 weight  0.10000E+01 volume  0.34366E-02 ppm1      1.824 ppm2      0.622 CV     1
 ASSI {  952}
   (( segid " 1SG" and resid 95   and name HA  ))
   (( segid " 1SG" and resid 95   and name HB2 ))
      2.600     0.800     0.800 peak   952 spectrum    1 weight  0.10000E+01 volume  0.34329E-02 ppm1      4.737 ppm2      2.633 CV     1
 ASSI {  953}
   (( segid " 1SG" and resid 77   and name HB  ))
   (( segid " 1SG" and resid 77   and name HA  ))
      2.300     0.700     0.700 peak   953 spectrum    1 weight  0.10000E+01 volume  0.34302E-02 ppm1      4.029 ppm2      4.666 CV     1
 ASSI {  955}
   (( segid " 1SG" and resid 53   and name HA  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      2.400     0.700     0.700 peak   955 spectrum    1 weight  0.10000E+01 volume  0.34250E-02 ppm1      4.054 ppm2      1.080 CV     1
 ASSI {  963}
   (  segid " 1SG" and resid 74   and name HD1%)
   (  segid " 1SG" and resid 49   and name HD2%)
      2.400     0.700     0.700 peak   963 spectrum    1 weight  0.10000E+01 volume  0.33808E-02 ppm1      0.410 ppm2      1.032 CV     1
 OR {  963}
   (  segid " 1SG" and resid 74   and name HD2%)
   (  segid " 1SG" and resid 49   and name HD2%)
 ASSI {  965}
   (( segid " 1SG" and resid 3    and name HD1 ))
   (( segid " 1SG" and resid 4    and name HB  ))
      2.200     2.200     3.800 peak   965 spectrum    1 weight  0.10000E+01 volume  0.33758E-02 ppm1      3.857 ppm2      2.022 CV     1
 OR {  965}
   (( segid " 1SG" and resid 3    and name HD2 ))
   (( segid " 1SG" and resid 4    and name HB  ))
 ASSI {  966}
   (( segid " 1SG" and resid 61   and name HA  ))
   (( segid " 1SG" and resid 72   and name HA  ))
      2.300     0.700     0.700 peak   966 spectrum    1 weight  0.10000E+01 volume  0.33700E-02 ppm1      5.559 ppm2      5.379 CV     1
 ASSI {  969}
   (  segid " 1SG" and resid 47   and name HG2%)
   (( segid " 1SG" and resid 47   and name HA  ))
      2.600     0.800     0.800 peak   969 spectrum    1 weight  0.10000E+01 volume  0.33567E-02 ppm1      0.793 ppm2      4.074 CV     1
 ASSI {  972}
   (  segid " 1SG" and resid 106  and name HG1%)
   (( segid " 1SG" and resid 106  and name HA  ))
      2.600     0.800     0.800 peak   972 spectrum    1 weight  0.10000E+01 volume  0.33342E-02 ppm1      0.694 ppm2      4.732 CV     1
 ASSI {  977}
   (  segid " 1SG" and resid 106  and name HG2%)
   (  segid " 1SG" and resid 16   and name HG2%)
      2.200     0.600     0.600 peak   977 spectrum    1 weight  0.10000E+01 volume  0.33181E-02 ppm1      0.389 ppm2      0.626 CV     1
 ASSI {  978}
   (  segid " 1SG" and resid 104  and name HD1%)
   (( segid " 1SG" and resid 104  and name HA  ))
      2.600     0.900     0.900 peak   978 spectrum    1 weight  0.10000E+01 volume  0.33174E-02 ppm1      0.981 ppm2      5.437 CV     1
 ASSI {  984}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 104  and name HB2 ))
      2.600     0.800     0.800 peak   984 spectrum    1 weight  0.10000E+01 volume  0.32799E-02 ppm1      0.549 ppm2      1.243 CV     1
 OR {  984}
   (  segid " 1SG" and resid 22   and name HD1%)
   (( segid " 1SG" and resid 104  and name HB2 ))
 ASSI {  986}
   (  segid " 1SG" and resid 74   and name HD2%)
   (( segid " 1SG" and resid 74   and name HG  ))
      2.400     0.700     0.700 peak   986 spectrum    1 weight  0.10000E+01 volume  0.32699E-02 ppm1      0.409 ppm2      1.098 CV     1
 OR {  986}
   (  segid " 1SG" and resid 74   and name HD1%)
   (( segid " 1SG" and resid 74   and name HG  ))
 ASSI {  990}
   (  segid " 1SG" and resid 18   and name HG2%)
   (( segid " 1SG" and resid 108  and name HA  ))
      2.500     0.800     0.800 peak   990 spectrum    1 weight  0.10000E+01 volume  0.32654E-02 ppm1      0.965 ppm2      4.151 CV     1
 ASSI {  991}
   (( segid " 1SG" and resid 55   and name HB2 ))
   (( segid " 1SG" and resid 55   and name HA  ))
      2.600     0.800     0.800 peak   991 spectrum    1 weight  0.10000E+01 volume  0.32622E-02 ppm1      1.787 ppm2      4.002 CV     1
 ASSI {  992}
   (( segid " 1SG" and resid 106  and name HA  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      2.500     0.800     0.800 peak   992 spectrum    1 weight  0.10000E+01 volume  0.32600E-02 ppm1      4.730 ppm2      0.388 CV     1
 ASSI {  993}
   (  segid " 1SG" and resid 4    and name HG2%)
   (( segid " 1SG" and resid 96   and name HB2 ))
      2.500     0.800     0.800 peak   993 spectrum    1 weight  0.10000E+01 volume  0.32516E-02 ppm1      0.918 ppm2      1.588 CV     1
 ASSI { 1004}
   (( segid " 1SG" and resid 33   and name HA  ))
   (( segid " 1SG" and resid 33   and name HB2 ))
      2.400     0.700     0.700 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.31950E-02 ppm1      4.459 ppm2      1.732 CV     1
 ASSI { 1008}
   (( segid " 1SG" and resid 77   and name HA  ))
   (( segid " 1SG" and resid 21   and name HA  ))
      2.200     0.600     0.600 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.31859E-02 ppm1      4.665 ppm2      5.519 CV     1
 ASSI { 1009}
   (( segid " 1SG" and resid 84   and name HA  ))
   (  segid " 1SG" and resid 84   and name HG2%)
      2.500     0.800     0.800 peak  1009 spectrum    1 weight  0.10000E+01 volume  0.31821E-02 ppm1      4.230 ppm2      1.496 CV     1
 ASSI { 1019}
   (( segid " 1SG" and resid 35   and name HA  ))
   (( segid " 1SG" and resid 36   and name HD2 ))
      2.600     0.800     0.800 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.31451E-02 ppm1      4.673 ppm2      3.509 CV     1
 ASSI { 1021}
   (  segid " 1SG" and resid 22   and name HD1%)
   (( segid " 1SG" and resid 22   and name HG12))
      2.500     0.800     0.800 peak  1021 spectrum    1 weight  0.10000E+01 volume  0.31390E-02 ppm1      0.548 ppm2      0.108 CV     1
 OR { 1021}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 22   and name HG12))
 ASSI { 1023}
   (( segid " 1SG" and resid 108  and name HA  ))
   (  segid " 1SG" and resid 18   and name HG2%)
      2.600     0.800     0.800 peak  1023 spectrum    1 weight  0.10000E+01 volume  0.31339E-02 ppm1      4.150 ppm2      0.966 CV     1
 OR { 1023}
   (( segid " 1SG" and resid 108  and name HA  ))
   (  segid " 1SG" and resid 18   and name HG1%)
 ASSI { 1031}
   (  segid " 1SG" and resid 76   and name HG2%)
   (( segid " 1SG" and resid 76   and name HB  ))
      2.400     0.700     0.700 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.31107E-02 ppm1      0.825 ppm2      1.940 CV     1
 ASSI { 1035}
   (( segid " 1SG" and resid 6    and name HB2 ))
   (( segid " 1SG" and resid 6    and name HG  ))
      2.600     0.900     0.900 peak  1035 spectrum    1 weight  0.10000E+01 volume  0.30823E-02 ppm1      0.962 ppm2      1.328 CV     1
 ASSI { 1047}
   (( segid " 1SG" and resid 16   and name HB  ))
   (( segid " 1SG" and resid 16   and name HA  ))
      2.500     0.800     0.800 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.30438E-02 ppm1      1.820 ppm2      4.604 CV     1
 ASSI { 1055}
   (( segid " 1SG" and resid 71   and name HB2 ))
   (( segid " 1SG" and resid 69   and name HB  ))
      2.300     2.300     3.700 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.30205E-02 ppm1      1.264 ppm2      1.770 CV     1
 ASSI { 1057}
   (  segid " 1SG" and resid 79   and name HB% )
   (  segid " 1SG" and resid 106  and name HG2%)
      2.600     0.800     0.800 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.30169E-02 ppm1      1.196 ppm2      0.392 CV     1
 ASSI { 1077}
   (  segid " 1SG" and resid 69   and name HG2%)
   (( segid " 1SG" and resid 29   and name HA  ))
      2.700     0.900     0.900 peak  1077 spectrum    1 weight  0.10000E+01 volume  0.29281E-02 ppm1      0.863 ppm2      4.391 CV     1
 OR { 1077}
   (  segid " 1SG" and resid 69   and name HG1%)
   (( segid " 1SG" and resid 29   and name HA  ))
 ASSI { 1080}
   (( segid " 1SG" and resid 58   and name HB2 ))
   (( segid " 1SG" and resid 58   and name HG2 ))
      2.500     0.800     0.800 peak  1080 spectrum    1 weight  0.10000E+01 volume  0.29031E-02 ppm1      2.406 ppm2      1.814 CV     1
 OR { 1080}
   (( segid " 1SG" and resid 58   and name HB1 ))
   (( segid " 1SG" and resid 58   and name HG2 ))
 ASSI { 1081}
   (( segid " 1SG" and resid 76   and name HB  ))
   (  segid " 1SG" and resid 22   and name HG2%)
      2.400     0.700     0.700 peak  1081 spectrum    1 weight  0.10000E+01 volume  0.29014E-02 ppm1      1.938 ppm2      0.610 CV     1
 ASSI { 1082}
   (( segid " 1SG" and resid 57   and name HG  ))
   (  segid " 1SG" and resid 74   and name HD1%)
      2.800     1.000     1.000 peak  1082 spectrum    1 weight  0.10000E+01 volume  0.28975E-02 ppm1      0.751 ppm2      0.415 CV     1
 OR { 1082}
   (( segid " 1SG" and resid 57   and name HG  ))
   (  segid " 1SG" and resid 74   and name HD2%)
 ASSI { 1083}
   (( segid " 1SG" and resid 22   and name HG12))
   (( segid " 1SG" and resid 104  and name HB2 ))
      2.300     0.700     0.700 peak  1083 spectrum    1 weight  0.10000E+01 volume  0.28967E-02 ppm1      0.106 ppm2      1.251 CV     1
 ASSI { 1088}
   (  segid " 1SG" and resid 39   and name HG2%)
   (( segid " 1SG" and resid 39   and name HA  ))
      2.600     0.800     0.800 peak  1088 spectrum    1 weight  0.10000E+01 volume  0.28930E-02 ppm1     -0.447 ppm2      4.803 CV     1
 ASSI { 1089}
   (( segid " 1SG" and resid 77   and name HA  ))
   (  segid " 1SG" and resid 77   and name HG2%)
      2.500     0.800     0.800 peak  1089 spectrum    1 weight  0.10000E+01 volume  0.28893E-02 ppm1      4.662 ppm2      1.045 CV     1
 ASSI { 1092}
   (( segid " 1SG" and resid 18   and name HA  ))
   (  segid " 1SG" and resid 18   and name HG1%)
      2.600     0.800     0.800 peak  1092 spectrum    1 weight  0.10000E+01 volume  0.28696E-02 ppm1      3.510 ppm2      0.968 CV     1
 OR { 1092}
   (( segid " 1SG" and resid 18   and name HA  ))
   (  segid " 1SG" and resid 18   and name HG2%)
 ASSI { 1095}
   (( segid " 1SG" and resid 9    and name HG2 ))
   (( segid " 1SG" and resid 9    and name HB2 ))
      2.600     0.800     0.800 peak  1095 spectrum    1 weight  0.10000E+01 volume  0.28611E-02 ppm1      2.524 ppm2      1.911 CV     1
 ASSI { 1097}
   (( segid " 1SG" and resid 18   and name HA  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      2.500     0.800     0.800 peak  1097 spectrum    1 weight  0.10000E+01 volume  0.28521E-02 ppm1      3.516 ppm2      0.390 CV     1
 ASSI { 1101}
   (  segid " 1SG" and resid 28   and name HG1%)
   (  segid " 1SG" and resid 91   and name HG1%)
      2.600     0.900     0.900 peak  1101 spectrum    1 weight  0.10000E+01 volume  0.28272E-02 ppm1      0.830 ppm2      0.179 CV     1
 OR { 1101}
   (  segid " 1SG" and resid 28   and name HG1%)
   (  segid " 1SG" and resid 91   and name HG2%)
 ASSI { 1102}
   (( segid " 1SG" and resid 27   and name HD2 ))
   (( segid " 1SG" and resid 27   and name HG2 ))
      2.500     0.800     0.800 peak  1102 spectrum    1 weight  0.10000E+01 volume  0.28233E-02 ppm1      3.131 ppm2      1.704 CV     1
 OR { 1102}
   (( segid " 1SG" and resid 27   and name HD1 ))
   (( segid " 1SG" and resid 27   and name HG1 ))
 OR { 1102}
   (( segid " 1SG" and resid 27   and name HD2 ))
   (( segid " 1SG" and resid 27   and name HG1 ))
 OR { 1102}
   (( segid " 1SG" and resid 27   and name HD1 ))
   (( segid " 1SG" and resid 27   and name HG2 ))
 ASSI { 1105}
   (  segid " 1SG" and resid 28   and name HG2%)
   (( segid " 1SG" and resid 28   and name HA  ))
      2.600     0.900     0.900 peak  1105 spectrum    1 weight  0.10000E+01 volume  0.28022E-02 ppm1      0.652 ppm2      4.910 CV     1
 ASSI { 1109}
   (( segid " 1SG" and resid 3    and name HB2 ))
   (( segid " 1SG" and resid 3    and name HA  ))
      2.600     0.800     0.800 peak  1109 spectrum    1 weight  0.10000E+01 volume  0.27940E-02 ppm1      2.293 ppm2      4.452 CV     1
 OR { 1109}
   (( segid " 1SG" and resid 3    and name HB1 ))
   (( segid " 1SG" and resid 3    and name HA  ))
 ASSI { 1113}
   (  segid " 1SG" and resid 71   and name HD1%)
   (( segid " 1SG" and resid 27   and name HB1 ))
      2.900     1.000     1.000 peak  1113 spectrum    1 weight  0.10000E+01 volume  0.27890E-02 ppm1      0.856 ppm2      1.581 CV     1
 OR { 1113}
   (  segid " 1SG" and resid 71   and name HD1%)
   (( segid " 1SG" and resid 27   and name HB2 ))
 ASSI { 1115}
   (( segid " 1SG" and resid 52   and name HD2 ))
   (( segid " 1SG" and resid 52   and name HA  ))
      3.000     1.100     1.100 peak  1115 spectrum    1 weight  0.10000E+01 volume  0.27877E-02 ppm1      1.579 ppm2      4.625 CV     1
 OR { 1115}
   (( segid " 1SG" and resid 52   and name HD1 ))
   (( segid " 1SG" and resid 52   and name HA  ))
 ASSI { 1120}
   (( segid " 1SG" and resid 21   and name HB2 ))
   (( segid " 1SG" and resid 21   and name HA  ))
      2.500     0.800     0.800 peak  1120 spectrum    1 weight  0.10000E+01 volume  0.27660E-02 ppm1      3.759 ppm2      5.523 CV     1
 ASSI { 1127}
   (( segid " 1SG" and resid 107  and name HA  ))
   (( segid " 1SG" and resid 107  and name HB1 ))
      2.600     0.800     0.800 peak  1127 spectrum    1 weight  0.10000E+01 volume  0.27394E-02 ppm1      4.805 ppm2      3.085 CV     1
 OR { 1127}
   (( segid " 1SG" and resid 107  and name HA  ))
   (( segid " 1SG" and resid 107  and name HB2 ))
 ASSI { 1129}
   (( segid " 1SG" and resid 96   and name HA  ))
   (( segid " 1SG" and resid 96   and name HG1 ))
      2.600     0.900     0.900 peak  1129 spectrum    1 weight  0.10000E+01 volume  0.27327E-02 ppm1      4.790 ppm2      1.336 CV     1
 OR { 1129}
   (( segid " 1SG" and resid 96   and name HA  ))
   (( segid " 1SG" and resid 96   and name HG2 ))
 ASSI { 1131}
   (( segid " 1SG" and resid 1    and name HA  ))
   (( segid " 1SG" and resid 2    and name HB2 ))
      3.100     1.200     1.200 peak  1131 spectrum    1 weight  0.10000E+01 volume  0.27324E-02 ppm1      4.623 ppm2      2.692 CV     1
 ASSI { 1135}
   (  segid " 1SG" and resid 59   and name HD2%)
   (( segid " 1SG" and resid 74   and name HA  ))
      2.900     1.100     1.100 peak  1135 spectrum    1 weight  0.10000E+01 volume  0.27196E-02 ppm1      0.717 ppm2      4.346 CV     1
 ASSI { 1145}
   (  segid " 1SG" and resid 18   and name HG2%)
   (( segid " 1SG" and resid 108  and name HG2 ))
      2.700     0.900     0.900 peak  1145 spectrum    1 weight  0.10000E+01 volume  0.26944E-02 ppm1      0.973 ppm2      2.203 CV     1
 OR { 1145}
   (  segid " 1SG" and resid 18   and name HG2%)
   (( segid " 1SG" and resid 108  and name HG1 ))
 ASSI { 1152}
   (  segid " 1SG" and resid 69   and name HG1%)
   (( segid " 1SG" and resid 27   and name HD1 ))
      2.500     2.500     3.500 peak  1152 spectrum    1 weight  0.10000E+01 volume  0.26788E-02 ppm1      0.852 ppm2      3.126 CV     1
 OR { 1152}
   (  segid " 1SG" and resid 69   and name HG1%)
   (( segid " 1SG" and resid 27   and name HD2 ))
 ASSI { 1156}
   (  segid " 1SG" and resid 59   and name HD2%)
   (( segid " 1SG" and resid 59   and name HB2 ))
      2.600     0.900     0.900 peak  1156 spectrum    1 weight  0.10000E+01 volume  0.26721E-02 ppm1      0.714 ppm2      1.697 CV     1
 OR { 1156}
   (  segid " 1SG" and resid 59   and name HD2%)
   (( segid " 1SG" and resid 59   and name HB1 ))
 ASSI { 1161}
   (( segid " 1SG" and resid 59   and name HB1 ))
   (  segid " 1SG" and resid 59   and name HD1%)
      2.600     0.800     0.800 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.26484E-02 ppm1      1.712 ppm2      0.868 CV     1
 OR { 1161}
   (( segid " 1SG" and resid 59   and name HB2 ))
   (  segid " 1SG" and resid 59   and name HD1%)
 ASSI { 1176}
   (  segid " 1SG" and resid 4    and name HG2%)
   (  segid " 1SG" and resid 6    and name HD2%)
      2.700     0.900     0.900 peak  1176 spectrum    1 weight  0.10000E+01 volume  0.25942E-02 ppm1      0.914 ppm2      0.491 CV     1
 ASSI { 1183}
   (( segid " 1SG" and resid 45   and name HA  ))
   (( segid " 1SG" and resid 45   and name HB2 ))
      2.600     0.800     0.800 peak  1183 spectrum    1 weight  0.10000E+01 volume  0.25761E-02 ppm1      3.497 ppm2      0.609 CV     1
 OR { 1183}
   (( segid " 1SG" and resid 45   and name HA  ))
   (( segid " 1SG" and resid 45   and name HG2 ))
 ASSI { 1189}
   (( segid " 1SG" and resid 94   and name HA  ))
   (( segid " 1SG" and resid 94   and name HB2 ))
      2.600     0.800     0.800 peak  1189 spectrum    1 weight  0.10000E+01 volume  0.25666E-02 ppm1      4.042 ppm2      1.799 CV     1
 ASSI { 1191}
   (  segid " 1SG" and resid 76   and name HD1%)
   (( segid " 1SG" and resid 59   and name HG  ))
      2.300     2.300     3.700 peak  1191 spectrum    1 weight  0.10000E+01 volume  0.25626E-02 ppm1      0.677 ppm2      1.411 CV     1
 ASSI { 1193}
   (( segid " 1SG" and resid 43   and name HE2 ))
   (( segid " 1SG" and resid 43   and name HD1 ))
      2.600     0.800     0.800 peak  1193 spectrum    1 weight  0.10000E+01 volume  0.25586E-02 ppm1      2.518 ppm2      1.326 CV     1
 OR { 1193}
   (( segid " 1SG" and resid 43   and name HE2 ))
   (( segid " 1SG" and resid 43   and name HD2 ))
 ASSI { 1202}
   (( segid " 1SG" and resid 2    and name HB2 ))
   (( segid " 1SG" and resid 96   and name HE1 ))
      3.000     3.000     3.000 peak  1202 spectrum    1 weight  0.10000E+01 volume  0.25022E-02 ppm1      2.692 ppm2      2.944 CV     1
 OR { 1202}
   (( segid " 1SG" and resid 2    and name HB2 ))
   (( segid " 1SG" and resid 96   and name HE2 ))
 ASSI { 1203}
   (( segid " 1SG" and resid 81   and name HA  ))
   (( segid " 1SG" and resid 106  and name HB  ))
      2.800     1.000     1.000 peak  1203 spectrum    1 weight  0.10000E+01 volume  0.25015E-02 ppm1      4.003 ppm2      1.861 CV     1
 ASSI { 1205}
   (  segid " 1SG" and resid 28   and name HG2%)
   (( segid " 1SG" and resid 28   and name HB  ))
      2.600     0.800     0.800 peak  1205 spectrum    1 weight  0.10000E+01 volume  0.24963E-02 ppm1      0.652 ppm2      1.978 CV     1
 ASSI { 1215}
   (( segid " 1SG" and resid 25   and name HB2 ))
   (  segid " 1SG" and resid 71   and name HD1%)
      2.600     0.800     0.800 peak  1215 spectrum    1 weight  0.10000E+01 volume  0.24581E-02 ppm1      3.603 ppm2      0.862 CV     1
 ASSI { 1219}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 22   and name HB  ))
      2.500     0.800     0.800 peak  1219 spectrum    1 weight  0.10000E+01 volume  0.24486E-02 ppm1      0.612 ppm2      1.535 CV     1
 ASSI { 1220}
   (  segid " 1SG" and resid 28   and name HG1%)
   (( segid " 1SG" and resid 28   and name HB  ))
      2.600     0.900     0.900 peak  1220 spectrum    1 weight  0.10000E+01 volume  0.24405E-02 ppm1      0.816 ppm2      1.976 CV     1
 ASSI { 1223}
   (( segid " 1SG" and resid 53   and name HB  ))
   (( segid " 1SG" and resid 53   and name HA  ))
      2.600     0.800     0.800 peak  1223 spectrum    1 weight  0.10000E+01 volume  0.24303E-02 ppm1      2.132 ppm2      4.051 CV     1
 ASSI { 1230}
   (( segid " 1SG" and resid 61   and name HA  ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      3.200     3.200     2.800 peak  1230 spectrum    1 weight  0.10000E+01 volume  0.24150E-02 ppm1      5.567 ppm2      2.787 CV     1
 ASSI { 1236}
   (( segid " 1SG" and resid 59   and name HA  ))
   (( segid " 1SG" and resid 59   and name HB1 ))
      2.500     0.800     0.800 peak  1236 spectrum    1 weight  0.10000E+01 volume  0.23991E-02 ppm1      5.198 ppm2      1.702 CV     1
 OR { 1236}
   (( segid " 1SG" and resid 59   and name HA  ))
   (( segid " 1SG" and resid 59   and name HB2 ))
 ASSI { 1239}
   (( segid " 1SG" and resid 64   and name HA  ))
   (( segid " 1SG" and resid 64   and name HB2 ))
      2.700     0.900     0.900 peak  1239 spectrum    1 weight  0.10000E+01 volume  0.23947E-02 ppm1      4.580 ppm2      2.354 CV     1
 ASSI { 1244}
   (( segid " 1SG" and resid 52   and name HE2 ))
   (( segid " 1SG" and resid 52   and name HD2 ))
      2.600     0.900     0.900 peak  1244 spectrum    1 weight  0.10000E+01 volume  0.23824E-02 ppm1      2.788 ppm2      1.574 CV     1
 OR { 1244}
   (( segid " 1SG" and resid 52   and name HE2 ))
   (( segid " 1SG" and resid 52   and name HD1 ))
 ASSI { 1246}
   (  segid " 1SG" and resid 104  and name HD1%)
   (( segid " 1SG" and resid 104  and name HB2 ))
      2.600     0.900     0.900 peak  1246 spectrum    1 weight  0.10000E+01 volume  0.23786E-02 ppm1      0.976 ppm2      1.219 CV     1
 ASSI { 1251}
   (( segid " 1SG" and resid 80   and name HA  ))
   (( segid " 1SG" and resid 81   and name HD2 ))
      2.900     1.000     1.000 peak  1251 spectrum    1 weight  0.10000E+01 volume  0.23648E-02 ppm1      4.639 ppm2      3.592 CV     1
 ASSI { 1254}
   (( segid " 1SG" and resid 57   and name HA  ))
   (( segid " 1SG" and resid 76   and name HA  ))
      2.400     0.700     0.700 peak  1254 spectrum    1 weight  0.10000E+01 volume  0.23587E-02 ppm1      5.425 ppm2      5.012 CV     1
 ASSI { 1259}
   (( segid " 1SG" and resid 22   and name HA  ))
   (( segid " 1SG" and resid 22   and name HB  ))
      2.500     0.800     0.800 peak  1259 spectrum    1 weight  0.10000E+01 volume  0.23512E-02 ppm1      4.352 ppm2      1.534 CV     1
 ASSI { 1267}
   (( segid " 1SG" and resid 59   and name HG  ))
   (( segid " 1SG" and resid 57   and name HG  ))
      3.000     3.000     3.000 peak  1267 spectrum    1 weight  0.10000E+01 volume  0.23278E-02 ppm1      1.460 ppm2      0.749 CV     1
 ASSI { 1272}
   (( segid " 1SG" and resid 58   and name HA  ))
   (( segid " 1SG" and resid 58   and name HB2 ))
      2.600     0.800     0.800 peak  1272 spectrum    1 weight  0.10000E+01 volume  0.23148E-02 ppm1      4.626 ppm2      2.405 CV     1
 OR { 1272}
   (( segid " 1SG" and resid 58   and name HA  ))
   (( segid " 1SG" and resid 58   and name HB1 ))
 ASSI { 1274}
   (( segid " 1SG" and resid 65   and name HA  ))
   (( segid " 1SG" and resid 65   and name HG2 ))
      2.800     1.000     1.000 peak  1274 spectrum    1 weight  0.10000E+01 volume  0.23052E-02 ppm1      3.458 ppm2      1.692 CV     1
 OR { 1274}
   (( segid " 1SG" and resid 65   and name HA  ))
   (( segid " 1SG" and resid 65   and name HG1 ))
 ASSI { 1281}
   (( segid " 1SG" and resid 49   and name HG  ))
   (( segid " 1SG" and resid 43   and name HD2 ))
      2.600     0.900     0.900 peak  1281 spectrum    1 weight  0.10000E+01 volume  0.22929E-02 ppm1      0.802 ppm2      1.337 CV     1
 OR { 1281}
   (( segid " 1SG" and resid 49   and name HG  ))
   (( segid " 1SG" and resid 43   and name HD1 ))
 ASSI { 1282}
   (( segid " 1SG" and resid 78   and name HA  ))
   (( segid " 1SG" and resid 78   and name HB2 ))
      2.600     0.800     0.800 peak  1282 spectrum    1 weight  0.10000E+01 volume  0.22906E-02 ppm1      4.117 ppm2      2.383 CV     1
 ASSI { 1286}
   (  segid " 1SG" and resid 8    and name HG2%)
   (  segid " 1SG" and resid 6    and name HD2%)
      2.900     2.900     3.100 peak  1286 spectrum    1 weight  0.10000E+01 volume  0.22853E-02 ppm1      0.928 ppm2      0.476 CV     1
 ASSI { 1288}
   (( segid " 1SG" and resid 96   and name HA  ))
   (( segid " 1SG" and resid 94   and name HE1 ))
      2.900     2.900     3.100 peak  1288 spectrum    1 weight  0.10000E+01 volume  0.22705E-02 ppm1      4.809 ppm2      3.001 CV     1
 OR { 1288}
   (( segid " 1SG" and resid 96   and name HA  ))
   (( segid " 1SG" and resid 94   and name HE2 ))
 ASSI { 1297}
   (( segid " 1SG" and resid 52   and name HE2 ))
   (( segid " 1SG" and resid 52   and name HG1 ))
      2.800     1.000     1.000 peak  1297 spectrum    1 weight  0.10000E+01 volume  0.22559E-02 ppm1      2.788 ppm2      1.344 CV     1
 OR { 1297}
   (( segid " 1SG" and resid 52   and name HE2 ))
   (( segid " 1SG" and resid 52   and name HG2 ))
 ASSI { 1298}
   (( segid " 1SG" and resid 49   and name HG  ))
   (( segid " 1SG" and resid 43   and name HB2 ))
      2.500     0.800     0.800 peak  1298 spectrum    1 weight  0.10000E+01 volume  0.22537E-02 ppm1      0.801 ppm2      1.228 CV     1
 ASSI { 1302}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 22   and name HG12))
      2.600     0.800     0.800 peak  1302 spectrum    1 weight  0.10000E+01 volume  0.22458E-02 ppm1      0.611 ppm2      0.097 CV     1
 ASSI { 1303}
   (( segid " 1SG" and resid 94   and name HG1 ))
   (( segid " 1SG" and resid 94   and name HA  ))
      3.000     1.100     1.100 peak  1303 spectrum    1 weight  0.10000E+01 volume  0.22455E-02 ppm1      1.416 ppm2      4.044 CV     1
 OR { 1303}
   (( segid " 1SG" and resid 94   and name HG2 ))
   (( segid " 1SG" and resid 94   and name HA  ))
 ASSI { 1309}
   (( segid " 1SG" and resid 96   and name HA  ))
   (( segid " 1SG" and resid 96   and name HB2 ))
      2.800     1.000     1.000 peak  1309 spectrum    1 weight  0.10000E+01 volume  0.22389E-02 ppm1      4.786 ppm2      1.579 CV     1
 ASSI { 1319}
   (  segid " 1SG" and resid 76   and name HG2%)
   (( segid " 1SG" and resid 76   and name HA  ))
      2.500     0.800     0.800 peak  1319 spectrum    1 weight  0.10000E+01 volume  0.22185E-02 ppm1      0.823 ppm2      5.012 CV     1
 ASSI { 1323}
   (( segid " 1SG" and resid 9    and name HG2 ))
   (( segid " 1SG" and resid 9    and name HA  ))
      2.800     1.000     1.000 peak  1323 spectrum    1 weight  0.10000E+01 volume  0.22109E-02 ppm1      2.535 ppm2      4.651 CV     1
 ASSI { 1333}
   (( segid " 1SG" and resid 3    and name HA  ))
   (( segid " 1SG" and resid 4    and name HB  ))
      3.400     1.500     1.500 peak  1333 spectrum    1 weight  0.10000E+01 volume  0.21844E-02 ppm1      4.450 ppm2      2.008 CV     1
 ASSI { 1335}
   (( segid " 1SG" and resid 27   and name HA  ))
   (( segid " 1SG" and resid 27   and name HB1 ))
      2.600     0.800     0.800 peak  1335 spectrum    1 weight  0.10000E+01 volume  0.21754E-02 ppm1      5.836 ppm2      1.599 CV     1
 OR { 1335}
   (( segid " 1SG" and resid 27   and name HA  ))
   (( segid " 1SG" and resid 27   and name HB2 ))
 ASSI { 1338}
   (( segid " 1SG" and resid 19   and name HA1 ))
   (( segid " 1SG" and resid 78   and name HA  ))
      2.700     0.900     0.900 peak  1338 spectrum    1 weight  0.10000E+01 volume  0.21694E-02 ppm1      4.274 ppm2      4.121 CV     1
 OR { 1338}
   (( segid " 1SG" and resid 19   and name HA2 ))
   (( segid " 1SG" and resid 78   and name HA  ))
 ASSI { 1346}
   (  segid " 1SG" and resid 69   and name HG1%)
   (( segid " 1SG" and resid 67   and name HB1 ))
      2.800     1.000     1.000 peak  1346 spectrum    1 weight  0.10000E+01 volume  0.21573E-02 ppm1      0.868 ppm2      3.737 CV     1
 OR { 1346}
   (  segid " 1SG" and resid 69   and name HG2%)
   (( segid " 1SG" and resid 67   and name HB2 ))
 OR { 1346}
   (  segid " 1SG" and resid 69   and name HG2%)
   (( segid " 1SG" and resid 67   and name HB1 ))
 ASSI { 1351}
   (( segid " 1SG" and resid 59   and name HB1 ))
   (( segid " 1SG" and resid 59   and name HG  ))
      2.600     0.900     0.900 peak  1351 spectrum    1 weight  0.10000E+01 volume  0.21459E-02 ppm1      1.699 ppm2      1.439 CV     1
 OR { 1351}
   (( segid " 1SG" and resid 59   and name HB2 ))
   (( segid " 1SG" and resid 59   and name HG  ))
 ASSI { 1356}
   (  segid " 1SG" and resid 91   and name HG1%)
   (  segid " 1SG" and resid 39   and name HG1%)
      2.800     1.000     1.000 peak  1356 spectrum    1 weight  0.10000E+01 volume  0.21303E-02 ppm1      0.170 ppm2     -0.067 CV     1
 OR { 1356}
   (  segid " 1SG" and resid 91   and name HG2%)
   (  segid " 1SG" and resid 39   and name HG1%)
 ASSI { 1360}
   (( segid " 1SG" and resid 23   and name HA  ))
   (  segid " 1SG" and resid 23   and name HG2%)
      2.700     0.900     0.900 peak  1360 spectrum    1 weight  0.10000E+01 volume  0.21241E-02 ppm1      5.129 ppm2      0.782 CV     1
 ASSI { 1365}
   (( segid " 1SG" and resid 34   and name HG  ))
   (( segid " 1SG" and resid 35   and name HG2 ))
      2.800     0.900     0.900 peak  1365 spectrum    1 weight  0.10000E+01 volume  0.21165E-02 ppm1      0.938 ppm2      1.372 CV     1
 OR { 1365}
   (( segid " 1SG" and resid 34   and name HG  ))
   (( segid " 1SG" and resid 35   and name HG1 ))
 ASSI { 1367}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 22   and name HB  ))
      2.600     0.900     0.900 peak  1367 spectrum    1 weight  0.10000E+01 volume  0.21120E-02 ppm1      0.558 ppm2      1.537 CV     1
 OR { 1367}
   (  segid " 1SG" and resid 22   and name HD1%)
   (( segid " 1SG" and resid 22   and name HB  ))
 ASSI { 1368}
   (  segid " 1SG" and resid 106  and name HG2%)
   (( segid " 1SG" and resid 81   and name HA  ))
      2.700     0.900     0.900 peak  1368 spectrum    1 weight  0.10000E+01 volume  0.21114E-02 ppm1      0.389 ppm2      4.015 CV     1
 ASSI { 1375}
   (  segid " 1SG" and resid 4    and name HG2%)
   (  segid " 1SG" and resid 6    and name HD1%)
      2.700     0.900     0.900 peak  1375 spectrum    1 weight  0.10000E+01 volume  0.20891E-02 ppm1      0.911 ppm2      0.677 CV     1
 ASSI { 1377}
   (  segid " 1SG" and resid 4    and name HG2%)
   (( segid " 1SG" and resid 4    and name HG12))
      2.600     0.800     0.800 peak  1377 spectrum    1 weight  0.10000E+01 volume  0.20884E-02 ppm1      0.918 ppm2      1.237 CV     1
 ASSI { 1378}
   (( segid " 1SG" and resid 68   and name HG2 ))
   (( segid " 1SG" and resid 68   and name HA  ))
      2.700     0.900     0.900 peak  1378 spectrum    1 weight  0.10000E+01 volume  0.20874E-02 ppm1      1.279 ppm2      3.604 CV     1
 OR { 1378}
   (( segid " 1SG" and resid 68   and name HG1 ))
   (( segid " 1SG" and resid 68   and name HA  ))
 ASSI { 1381}
   (  segid " 1SG" and resid 104  and name HD2%)
   (( segid " 1SG" and resid 104  and name HB2 ))
      2.800     1.000     1.000 peak  1381 spectrum    1 weight  0.10000E+01 volume  0.20848E-02 ppm1      0.839 ppm2      1.251 CV     1
 ASSI { 1382}
   (  segid " 1SG" and resid 49   and name HD2%)
   (  segid " 1SG" and resid 49   and name HD1%)
      2.700     0.900     0.900 peak  1382 spectrum    1 weight  0.10000E+01 volume  0.20811E-02 ppm1      1.033 ppm2      1.768 CV     1
 ASSI { 1390}
   (( segid " 1SG" and resid 45   and name HE2 ))
   (( segid " 1SG" and resid 45   and name HD1 ))
      2.700     0.900     0.900 peak  1390 spectrum    1 weight  0.10000E+01 volume  0.20650E-02 ppm1      2.582 ppm2      1.239 CV     1
 OR { 1390}
   (( segid " 1SG" and resid 45   and name HE2 ))
   (( segid " 1SG" and resid 45   and name HD2 ))
 ASSI { 1393}
   (  segid " 1SG" and resid 6    and name HD1%)
   (  segid " 1SG" and resid 91   and name HG2%)
      2.800     1.000     1.000 peak  1393 spectrum    1 weight  0.10000E+01 volume  0.20565E-02 ppm1      0.673 ppm2      0.183 CV     1
 OR { 1393}
   (  segid " 1SG" and resid 6    and name HD1%)
   (  segid " 1SG" and resid 91   and name HG1%)
 ASSI { 1399}
   (( segid " 1SG" and resid 31   and name HA  ))
   (( segid " 1SG" and resid 68   and name HD2 ))
      2.700     0.900     0.900 peak  1399 spectrum    1 weight  0.10000E+01 volume  0.20444E-02 ppm1      4.175 ppm2      1.683 CV     1
 OR { 1399}
   (( segid " 1SG" and resid 31   and name HA  ))
   (( segid " 1SG" and resid 68   and name HD1 ))
 ASSI { 1400}
   (( segid " 1SG" and resid 91   and name HA  ))
   (  segid " 1SG" and resid 91   and name HG2%)
      2.700     0.900     0.900 peak  1400 spectrum    1 weight  0.10000E+01 volume  0.20423E-02 ppm1      4.748 ppm2      0.161 CV     1
 ASSI { 1402}
   (( segid " 1SG" and resid 68   and name HG2 ))
   (( segid " 1SG" and resid 68   and name HB2 ))
      2.700     0.900     0.900 peak  1402 spectrum    1 weight  0.10000E+01 volume  0.20384E-02 ppm1      1.273 ppm2      1.772 CV     1
 OR { 1402}
   (( segid " 1SG" and resid 68   and name HG1 ))
   (( segid " 1SG" and resid 68   and name HB2 ))
 ASSI { 1404}
   (( segid " 1SG" and resid 37   and name HA  ))
   (( segid " 1SG" and resid 37   and name HB2 ))
      3.000     1.100     1.100 peak  1404 spectrum    1 weight  0.10000E+01 volume  0.20349E-02 ppm1      4.505 ppm2      1.382 CV     1
 OR { 1404}
   (( segid " 1SG" and resid 37   and name HA  ))
   (( segid " 1SG" and resid 37   and name HG2 ))
 ASSI { 1406}
   (  segid " 1SG" and resid 53   and name HG1%)
   (( segid " 1SG" and resid 58   and name HA  ))
      2.900     1.000     1.000 peak  1406 spectrum    1 weight  0.10000E+01 volume  0.20301E-02 ppm1      1.121 ppm2      4.624 CV     1
 ASSI { 1408}
   (( segid " 1SG" and resid 28   and name HA  ))
   (  segid " 1SG" and resid 28   and name HG1%)
      2.700     0.900     0.900 peak  1408 spectrum    1 weight  0.10000E+01 volume  0.20253E-02 ppm1      4.915 ppm2      0.817 CV     1
 ASSI { 1420}
   (( segid " 1SG" and resid 75   and name HA  ))
   (( segid " 1SG" and resid 75   and name HB1 ))
      2.700     0.900     0.900 peak  1420 spectrum    1 weight  0.10000E+01 volume  0.19977E-02 ppm1      5.087 ppm2      2.897 CV     1
 OR { 1420}
   (( segid " 1SG" and resid 75   and name HA  ))
   (( segid " 1SG" and resid 75   and name HB2 ))
 ASSI { 1426}
   (( segid " 1SG" and resid 2    and name HA  ))
   (( segid " 1SG" and resid 2    and name HB2 ))
      2.700     0.900     0.900 peak  1426 spectrum    1 weight  0.10000E+01 volume  0.19904E-02 ppm1      4.912 ppm2      2.661 CV     1
 ASSI { 1433}
   (( segid " 1SG" and resid 105  and name HB  ))
   (( segid " 1SG" and resid 15   and name HA  ))
      2.600     0.900     0.900 peak  1433 spectrum    1 weight  0.10000E+01 volume  0.19852E-02 ppm1      3.901 ppm2      5.501 CV     1
 ASSI { 1435}
   (( segid " 1SG" and resid 12   and name HA  ))
   (( segid " 1SG" and resid 12   and name HG2 ))
      2.900     1.000     1.000 peak  1435 spectrum    1 weight  0.10000E+01 volume  0.19834E-02 ppm1      4.685 ppm2      2.479 CV     1
 OR { 1435}
   (( segid " 1SG" and resid 12   and name HA  ))
   (( segid " 1SG" and resid 12   and name HG1 ))
 ASSI { 1437}
   (( segid " 1SG" and resid 61   and name HA  ))
   (( segid " 1SG" and resid 61   and name HB2 ))
      2.900     1.000     1.000 peak  1437 spectrum    1 weight  0.10000E+01 volume  0.19821E-02 ppm1      5.569 ppm2      2.306 CV     1
 ASSI { 1441}
   (( segid " 1SG" and resid 68   and name HG1 ))
   (( segid " 1SG" and resid 68   and name HE2 ))
      2.800     1.000     1.000 peak  1441 spectrum    1 weight  0.10000E+01 volume  0.19762E-02 ppm1      1.275 ppm2      3.028 CV     1
 OR { 1441}
   (( segid " 1SG" and resid 68   and name HG2 ))
   (( segid " 1SG" and resid 68   and name HE2 ))
 OR { 1441}
   (( segid " 1SG" and resid 68   and name HG1 ))
   (( segid " 1SG" and resid 68   and name HE1 ))
 OR { 1441}
   (( segid " 1SG" and resid 68   and name HG2 ))
   (( segid " 1SG" and resid 68   and name HE1 ))
 ASSI { 1451}
   (  segid " 1SG" and resid 22   and name HG2%)
   (  segid " 1SG" and resid 74   and name HD1%)
      3.200     3.200     2.800 peak  1451 spectrum    1 weight  0.10000E+01 volume  0.19638E-02 ppm1      0.549 ppm2      0.431 CV     1
 OR { 1451}
   (  segid " 1SG" and resid 22   and name HD1%)
   (  segid " 1SG" and resid 74   and name HD1%)
 OR { 1451}
   (  segid " 1SG" and resid 22   and name HD1%)
   (  segid " 1SG" and resid 74   and name HD2%)
 OR { 1451}
   (  segid " 1SG" and resid 22   and name HG2%)
   (  segid " 1SG" and resid 74   and name HD2%)
 ASSI { 1453}
   (( segid " 1SG" and resid 4    and name HA  ))
   (  segid " 1SG" and resid 4    and name HD1%)
      3.100     1.200     1.200 peak  1453 spectrum    1 weight  0.10000E+01 volume  0.19563E-02 ppm1      4.030 ppm2      0.969 CV     1
 ASSI { 1456}
   (( segid " 1SG" and resid 9    and name HA  ))
   (( segid " 1SG" and resid 27   and name HD2 ))
      3.200     3.200     2.800 peak  1456 spectrum    1 weight  0.10000E+01 volume  0.19491E-02 ppm1      4.631 ppm2      3.112 CV     1
 OR { 1456}
   (( segid " 1SG" and resid 9    and name HA  ))
   (( segid " 1SG" and resid 27   and name HD1 ))
 ASSI { 1457}
   (( segid " 1SG" and resid 57   and name HG  ))
   (  segid " 1SG" and resid 49   and name HD2%)
      2.800     1.000     1.000 peak  1457 spectrum    1 weight  0.10000E+01 volume  0.19489E-02 ppm1      0.752 ppm2      1.025 CV     1
 ASSI { 1459}
   (( segid " 1SG" and resid 57   and name HB2 ))
   (( segid " 1SG" and resid 57   and name HA  ))
      2.400     0.700     0.700 peak  1459 spectrum    1 weight  0.10000E+01 volume  0.19428E-02 ppm1      1.475 ppm2      5.430 CV     1
 ASSI { 1461}
   (( segid " 1SG" and resid 12   and name HB2 ))
   (( segid " 1SG" and resid 12   and name HA  ))
      2.800     1.000     1.000 peak  1461 spectrum    1 weight  0.10000E+01 volume  0.19381E-02 ppm1      1.970 ppm2      4.684 CV     1
 ASSI { 1471}
   (  segid " 1SG" and resid 76   and name HG2%)
   (( segid " 1SG" and resid 76   and name HG12))
      2.600     0.900     0.900 peak  1471 spectrum    1 weight  0.10000E+01 volume  0.19274E-02 ppm1      0.820 ppm2      1.098 CV     1
 ASSI { 1476}
   (  segid " 1SG" and resid 6    and name HD1%)
   (( segid " 1SG" and resid 96   and name HB2 ))
      2.700     0.900     0.900 peak  1476 spectrum    1 weight  0.10000E+01 volume  0.19238E-02 ppm1      0.670 ppm2      1.532 CV     1
 ASSI { 1481}
   (( segid " 1SG" and resid 40   and name HA  ))
   (( segid " 1SG" and resid 40   and name HB2 ))
      2.700     0.900     0.900 peak  1481 spectrum    1 weight  0.10000E+01 volume  0.19127E-02 ppm1      4.549 ppm2      1.359 CV     1
 ASSI { 1486}
   (( segid " 1SG" and resid 14   and name HA1 ))
   (  segid " 1SG" and resid 22   and name HD1%)
      2.600     0.900     0.900 peak  1486 spectrum    1 weight  0.10000E+01 volume  0.19068E-02 ppm1      3.757 ppm2      0.548 CV     1
 ASSI { 1494}
   (( segid " 1SG" and resid 74   and name HB2 ))
   (  segid " 1SG" and resid 74   and name HD2%)
      2.900     1.100     1.100 peak  1494 spectrum    1 weight  0.10000E+01 volume  0.18890E-02 ppm1     -0.825 ppm2      0.419 CV     1
 OR { 1494}
   (( segid " 1SG" and resid 74   and name HB2 ))
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI { 1497}
   (( segid " 1SG" and resid 71   and name HB2 ))
   (  segid " 1SG" and resid 71   and name HD2%)
      2.800     1.000     1.000 peak  1497 spectrum    1 weight  0.10000E+01 volume  0.18857E-02 ppm1      1.272 ppm2      0.752 CV     1
 ASSI { 1498}
   (  segid " 1SG" and resid 57   and name HD2%)
   (( segid " 1SG" and resid 53   and name HA  ))
      2.800     0.900     0.900 peak  1498 spectrum    1 weight  0.10000E+01 volume  0.18844E-02 ppm1      0.616 ppm2      4.056 CV     1
 OR { 1498}
   (  segid " 1SG" and resid 57   and name HD1%)
   (( segid " 1SG" and resid 53   and name HA  ))
 ASSI { 1504}
   (( segid " 1SG" and resid 105  and name HB  ))
   (( segid " 1SG" and resid 15   and name HG2 ))
      2.800     0.900     0.900 peak  1504 spectrum    1 weight  0.10000E+01 volume  0.18766E-02 ppm1      3.909 ppm2      2.266 CV     1
 OR { 1504}
   (( segid " 1SG" and resid 105  and name HB  ))
   (( segid " 1SG" and resid 15   and name HG1 ))
 ASSI { 1508}
   (( segid " 1SG" and resid 76   and name HB  ))
   (  segid " 1SG" and resid 76   and name HD1%)
      2.700     0.900     0.900 peak  1508 spectrum    1 weight  0.10000E+01 volume  0.18665E-02 ppm1      1.941 ppm2      0.670 CV     1
 ASSI { 1515}
   (( segid " 1SG" and resid 18   and name HA  ))
   (( segid " 1SG" and resid 18   and name HB  ))
      2.700     0.900     0.900 peak  1515 spectrum    1 weight  0.10000E+01 volume  0.18579E-02 ppm1      3.515 ppm2      1.933 CV     1
 ASSI { 1516}
   (( segid " 1SG" and resid 36   and name HB2 ))
   (( segid " 1SG" and resid 36   and name HG2 ))
      2.600     0.800     0.800 peak  1516 spectrum    1 weight  0.10000E+01 volume  0.18558E-02 ppm1      1.634 ppm2      1.985 CV     1
 ASSI { 1523}
   (( segid " 1SG" and resid 59   and name HG  ))
   (  segid " 1SG" and resid 57   and name HD2%)
      3.100     1.200     1.200 peak  1523 spectrum    1 weight  0.10000E+01 volume  0.18447E-02 ppm1      1.446 ppm2      0.612 CV     1
 OR { 1523}
   (( segid " 1SG" and resid 59   and name HG  ))
   (  segid " 1SG" and resid 57   and name HD1%)
 ASSI { 1527}
   (  segid " 1SG" and resid 6    and name HD1%)
   (  segid " 1SG" and resid 28   and name HG1%)
      2.800     1.000     1.000 peak  1527 spectrum    1 weight  0.10000E+01 volume  0.18370E-02 ppm1      0.670 ppm2      0.820 CV     1
 ASSI { 1529}
   (( segid " 1SG" and resid 25   and name HA  ))
   (( segid " 1SG" and resid 73   and name HA  ))
      2.500     0.800     0.800 peak  1529 spectrum    1 weight  0.10000E+01 volume  0.18357E-02 ppm1      5.692 ppm2      5.470 CV     1
 ASSI { 1530}
   (  segid " 1SG" and resid 16   and name HG2%)
   (( segid " 1SG" and resid 16   and name HA  ))
      2.900     1.100     1.100 peak  1530 spectrum    1 weight  0.10000E+01 volume  0.18306E-02 ppm1      0.629 ppm2      4.602 CV     1
 ASSI { 1539}
   (( segid " 1SG" and resid 106  and name HA  ))
   (  segid " 1SG" and resid 16   and name HG2%)
      2.700     0.900     0.900 peak  1539 spectrum    1 weight  0.10000E+01 volume  0.18231E-02 ppm1      4.721 ppm2      0.624 CV     1
 ASSI { 1541}
   (( segid " 1SG" and resid 52   and name HA  ))
   (( segid " 1SG" and resid 53   and name HB  ))
      3.000     3.000     3.000 peak  1541 spectrum    1 weight  0.10000E+01 volume  0.18201E-02 ppm1      4.618 ppm2      2.165 CV     1
 ASSI { 1545}
   (( segid " 1SG" and resid 14   and name HA2 ))
   (  segid " 1SG" and resid 22   and name HD1%)
      3.200     1.300     1.300 peak  1545 spectrum    1 weight  0.10000E+01 volume  0.18041E-02 ppm1      4.934 ppm2      0.546 CV     1
 ASSI { 1547}
   (  segid " 1SG" and resid 18   and name HG2%)
   (( segid " 1SG" and resid 81   and name HD2 ))
      3.300     1.400     1.400 peak  1547 spectrum    1 weight  0.10000E+01 volume  0.18009E-02 ppm1      0.966 ppm2      3.590 CV     1
 ASSI { 1572}
   (  segid " 1SG" and resid 79   and name HB% )
   (( segid " 1SG" and resid 18   and name HA  ))
      2.900     1.000     1.000 peak  1572 spectrum    1 weight  0.10000E+01 volume  0.17695E-02 ppm1      1.195 ppm2      3.508 CV     1
 ASSI { 1587}
   (  segid " 1SG" and resid 39   and name HG1%)
   (( segid " 1SG" and resid 39   and name HA  ))
      2.700     0.900     0.900 peak  1587 spectrum    1 weight  0.10000E+01 volume  0.17501E-02 ppm1     -0.057 ppm2      4.810 CV     1
 ASSI { 1588}
   (( segid " 1SG" and resid 46   and name HA  ))
   (( segid " 1SG" and resid 45   and name HA  ))
      2.900     2.900     3.100 peak  1588 spectrum    1 weight  0.10000E+01 volume  0.17495E-02 ppm1      4.981 ppm2      3.520 CV     1
 ASSI { 1589}
   (  segid " 1SG" and resid 6    and name HD2%)
   (  segid " 1SG" and resid 93   and name HG2%)
      2.800     1.000     1.000 peak  1589 spectrum    1 weight  0.10000E+01 volume  0.17495E-02 ppm1      0.491 ppm2      1.039 CV     1
 ASSI { 1605}
   (( segid " 1SG" and resid 88   and name HB2 ))
   (( segid " 1SG" and resid 40   and name HD1 ))
      2.900     2.900     3.100 peak  1605 spectrum    1 weight  0.10000E+01 volume  0.17297E-02 ppm1      1.705 ppm2      1.711 CV     1
 OR { 1605}
   (( segid " 1SG" and resid 88   and name HB2 ))
   (( segid " 1SG" and resid 40   and name HD2 ))
 ASSI { 1613}
   (( segid " 1SG" and resid 6    and name HA  ))
   (( segid " 1SG" and resid 6    and name HG  ))
      2.900     1.000     1.000 peak  1613 spectrum    1 weight  0.10000E+01 volume  0.17175E-02 ppm1      4.455 ppm2      1.332 CV     1
 ASSI { 1614}
   (( segid " 1SG" and resid 58   and name HA  ))
   (  segid " 1SG" and resid 53   and name HG2%)
      2.900     2.900     3.100 peak  1614 spectrum    1 weight  0.10000E+01 volume  0.17163E-02 ppm1      4.624 ppm2      1.078 CV     1
 ASSI { 1616}
   (( segid " 1SG" and resid 108  and name HG2 ))
   (( segid " 1SG" and resid 108  and name HA  ))
      2.900     1.000     1.000 peak  1616 spectrum    1 weight  0.10000E+01 volume  0.17125E-02 ppm1      2.201 ppm2      4.149 CV     1
 OR { 1616}
   (( segid " 1SG" and resid 108  and name HG1 ))
   (( segid " 1SG" and resid 108  and name HA  ))
 ASSI { 1622}
   (( segid " 1SG" and resid 45   and name HG2 ))
   (( segid " 1SG" and resid 45   and name HA  ))
      2.700     0.900     0.900 peak  1622 spectrum    1 weight  0.10000E+01 volume  0.17089E-02 ppm1      0.599 ppm2      3.499 CV     1
 ASSI { 1624}
   (( segid " 1SG" and resid 68   and name HA  ))
   (( segid " 1SG" and resid 68   and name HB2 ))
      2.700     0.900     0.900 peak  1624 spectrum    1 weight  0.10000E+01 volume  0.17071E-02 ppm1      3.604 ppm2      1.772 CV     1
 ASSI { 1631}
   (( segid " 1SG" and resid 16   and name HB  ))
   (  segid " 1SG" and resid 22   and name HG2%)
      3.100     1.200     1.200 peak  1631 spectrum    1 weight  0.10000E+01 volume  0.16931E-02 ppm1      1.820 ppm2      0.552 CV     1
 OR { 1631}
   (( segid " 1SG" and resid 16   and name HB  ))
   (  segid " 1SG" and resid 22   and name HD1%)
 ASSI { 1636}
   (( segid " 1SG" and resid 8    and name HB  ))
   (( segid " 1SG" and resid 27   and name HB2 ))
      2.700     0.900     0.900 peak  1636 spectrum    1 weight  0.10000E+01 volume  0.16809E-02 ppm1      1.813 ppm2      1.600 CV     1
 OR { 1636}
   (( segid " 1SG" and resid 8    and name HB  ))
   (( segid " 1SG" and resid 27   and name HB1 ))
 ASSI { 1638}
   (( segid " 1SG" and resid 108  and name HA  ))
   (  segid " 1SG" and resid 18   and name HG1%)
      2.900     2.900     3.100 peak  1638 spectrum    1 weight  0.10000E+01 volume  0.16754E-02 ppm1      4.155 ppm2      1.005 CV     1
 ASSI { 1653}
   (( segid " 1SG" and resid 4    and name HB  ))
   (( segid " 1SG" and resid 96   and name HB2 ))
      3.000     1.100     1.100 peak  1653 spectrum    1 weight  0.10000E+01 volume  0.16547E-02 ppm1      2.052 ppm2      1.589 CV     1
 ASSI { 1655}
   (  segid " 1SG" and resid 23   and name HG2%)
   (  segid " 1SG" and resid 22   and name HD1%)
      3.300     1.400     1.400 peak  1655 spectrum    1 weight  0.10000E+01 volume  0.16522E-02 ppm1      0.793 ppm2      0.557 CV     1
 OR { 1655}
   (  segid " 1SG" and resid 23   and name HG2%)
   (  segid " 1SG" and resid 22   and name HG2%)
 ASSI { 1671}
   (( segid " 1SG" and resid 60   and name HB2 ))
   (( segid " 1SG" and resid 60   and name HA  ))
      3.000     1.100     1.100 peak  1671 spectrum    1 weight  0.10000E+01 volume  0.16308E-02 ppm1      2.975 ppm2      5.071 CV     1
 ASSI { 1672}
   (( segid " 1SG" and resid 43   and name HD2 ))
   (  segid " 1SG" and resid 49   and name HD1%)
      3.000     1.100     1.100 peak  1672 spectrum    1 weight  0.10000E+01 volume  0.16299E-02 ppm1      1.322 ppm2      1.761 CV     1
 OR { 1672}
   (( segid " 1SG" and resid 43   and name HD1 ))
   (  segid " 1SG" and resid 49   and name HD1%)
 ASSI { 1676}
   (( segid " 1SG" and resid 36   and name HA  ))
   (( segid " 1SG" and resid 37   and name HD2 ))
      2.600     0.900     0.900 peak  1676 spectrum    1 weight  0.10000E+01 volume  0.16257E-02 ppm1      4.005 ppm2      2.360 CV     1
 ASSI { 1699}
   (( segid " 1SG" and resid 43   and name HD2 ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      2.900     2.900     3.100 peak  1699 spectrum    1 weight  0.10000E+01 volume  0.15973E-02 ppm1      1.308 ppm2      1.492 CV     1
 OR { 1699}
   (( segid " 1SG" and resid 43   and name HD1 ))
   (( segid " 1SG" and resid 57   and name HB2 ))
 ASSI { 1700}
   (( segid " 1SG" and resid 35   and name HG2 ))
   (( segid " 1SG" and resid 35   and name HA  ))
      3.300     1.400     1.400 peak  1700 spectrum    1 weight  0.10000E+01 volume  0.15961E-02 ppm1      1.361 ppm2      4.667 CV     1
 OR { 1700}
   (( segid " 1SG" and resid 35   and name HG1 ))
   (( segid " 1SG" and resid 35   and name HA  ))
 ASSI { 1703}
   (( segid " 1SG" and resid 25   and name HB2 ))
   (( segid " 1SG" and resid 25   and name HA  ))
      3.000     1.100     1.100 peak  1703 spectrum    1 weight  0.10000E+01 volume  0.15955E-02 ppm1      3.602 ppm2      5.692 CV     1
 ASSI { 1707}
   (( segid " 1SG" and resid 105  and name HA  ))
   (( segid " 1SG" and resid 84   and name HA  ))
      2.800     1.000     1.000 peak  1707 spectrum    1 weight  0.10000E+01 volume  0.15926E-02 ppm1      4.518 ppm2      4.230 CV     1
 ASSI { 1711}
   (( segid " 1SG" and resid 33   and name HB2 ))
   (  segid " 1SG" and resid 33   and name HD2%)
      2.900     1.000     1.000 peak  1711 spectrum    1 weight  0.10000E+01 volume  0.15910E-02 ppm1      1.743 ppm2      0.875 CV     1
 OR { 1711}
   (( segid " 1SG" and resid 33   and name HB2 ))
   (  segid " 1SG" and resid 33   and name HD1%)
 OR { 1711}
   (( segid " 1SG" and resid 33   and name HB2 ))
   (( segid " 1SG" and resid 33   and name HG  ))
 ASSI { 1720}
   (( segid " 1SG" and resid 36   and name HA  ))
   (( segid " 1SG" and resid 36   and name HB2 ))
      3.100     1.200     1.200 peak  1720 spectrum    1 weight  0.10000E+01 volume  0.15804E-02 ppm1      4.007 ppm2      1.642 CV     1
 ASSI { 1726}
   (( segid " 1SG" and resid 88   and name HA  ))
   (( segid " 1SG" and resid 100  and name HB2 ))
      3.400     3.400     2.600 peak  1726 spectrum    1 weight  0.10000E+01 volume  0.15728E-02 ppm1      5.349 ppm2      2.953 CV     1
 ASSI { 1730}
   (  segid " 1SG" and resid 49   and name HD2%)
   (( segid " 1SG" and resid 59   and name HB1 ))
      2.800     1.000     1.000 peak  1730 spectrum    1 weight  0.10000E+01 volume  0.15703E-02 ppm1      1.042 ppm2      1.718 CV     1
 OR { 1730}
   (  segid " 1SG" and resid 49   and name HD2%)
   (( segid " 1SG" and resid 59   and name HB2 ))
 ASSI { 1744}
   (( segid " 1SG" and resid 52   and name HA  ))
   (( segid " 1SG" and resid 54   and name HA2 ))
      3.100     3.100     2.900 peak  1744 spectrum    1 weight  0.10000E+01 volume  0.15557E-02 ppm1      4.623 ppm2      4.318 CV     1
 ASSI { 1752}
   (  segid " 1SG" and resid 74   and name HD1%)
   (  segid " 1SG" and resid 59   and name HD1%)
      2.800     1.000     1.000 peak  1752 spectrum    1 weight  0.10000E+01 volume  0.15380E-02 ppm1      0.412 ppm2      0.852 CV     1
 OR { 1752}
   (  segid " 1SG" and resid 74   and name HD2%)
   (  segid " 1SG" and resid 59   and name HD1%)
 ASSI { 1759}
   (( segid " 1SG" and resid 35   and name HA  ))
   (( segid " 1SG" and resid 35   and name HB2 ))
      2.800     1.000     1.000 peak  1759 spectrum    1 weight  0.10000E+01 volume  0.15267E-02 ppm1      4.673 ppm2      1.796 CV     1
 OR { 1759}
   (( segid " 1SG" and resid 35   and name HA  ))
   (( segid " 1SG" and resid 35   and name HB1 ))
 ASSI { 1760}
   (( segid " 1SG" and resid 49   and name HB2 ))
   (  segid " 1SG" and resid 49   and name HD1%)
      2.700     0.900     0.900 peak  1760 spectrum    1 weight  0.10000E+01 volume  0.15266E-02 ppm1      1.571 ppm2      1.728 CV     1
 ASSI { 1764}
   (  segid " 1SG" and resid 76   and name HG2%)
   (( segid " 1SG" and resid 79   and name HA  ))
      2.900     2.900     3.100 peak  1764 spectrum    1 weight  0.10000E+01 volume  0.15216E-02 ppm1      0.825 ppm2      3.685 CV     1
 ASSI { 1771}
   (( segid " 1SG" and resid 36   and name HD2 ))
   (( segid " 1SG" and resid 36   and name HG2 ))
      2.600     0.900     0.900 peak  1771 spectrum    1 weight  0.10000E+01 volume  0.15167E-02 ppm1      3.510 ppm2      1.963 CV     1
 ASSI { 1789}
   (( segid " 1SG" and resid 9    and name HB2 ))
   (( segid " 1SG" and resid 9    and name HA  ))
      2.800     1.000     1.000 peak  1789 spectrum    1 weight  0.10000E+01 volume  0.15059E-02 ppm1      1.915 ppm2      4.655 CV     1
 ASSI { 1791}
   (( segid " 1SG" and resid 8    and name HB  ))
   (( segid " 1SG" and resid 8    and name HA  ))
      3.000     1.100     1.100 peak  1791 spectrum    1 weight  0.10000E+01 volume  0.15037E-02 ppm1      1.840 ppm2      4.168 CV     1
 ASSI { 1799}
   (  segid " 1SG" and resid 93   and name HG2%)
   (  segid " 1SG" and resid 91   and name HG2%)
      3.000     1.100     1.100 peak  1799 spectrum    1 weight  0.10000E+01 volume  0.14953E-02 ppm1      1.042 ppm2      0.183 CV     1
 OR { 1799}
   (  segid " 1SG" and resid 93   and name HG2%)
   (  segid " 1SG" and resid 91   and name HG1%)
 ASSI { 1800}
   (  segid " 1SG" and resid 18   and name HG2%)
   (( segid " 1SG" and resid 80   and name HE21))
      3.400     3.400     2.600 peak  1800 spectrum    1 weight  0.10000E+01 volume  0.14945E-02 ppm1      0.979 ppm2      6.971 CV     1
 ASSI { 1802}
   (( segid " 1SG" and resid 72   and name HB2 ))
   (( segid " 1SG" and resid 72   and name HA  ))
      3.000     1.100     1.100 peak  1802 spectrum    1 weight  0.10000E+01 volume  0.14910E-02 ppm1      2.934 ppm2      5.351 CV     1
 ASSI { 1809}
   (( segid " 1SG" and resid 24   and name HA  ))
   (( segid " 1SG" and resid 24   and name HB2 ))
      3.000     1.100     1.100 peak  1809 spectrum    1 weight  0.10000E+01 volume  0.14847E-02 ppm1      4.619 ppm2      2.415 CV     1
 ASSI { 1811}
   (  segid " 1SG" and resid 59   and name HD1%)
   (( segid " 1SG" and resid 50   and name HA  ))
      2.900     1.000     1.000 peak  1811 spectrum    1 weight  0.10000E+01 volume  0.14805E-02 ppm1      0.869 ppm2      3.945 CV     1
 ASSI { 1812}
   (( segid " 1SG" and resid 103  and name HB2 ))
   (( segid " 1SG" and resid 103  and name HA  ))
      3.000     1.100     1.100 peak  1812 spectrum    1 weight  0.10000E+01 volume  0.14805E-02 ppm1      2.506 ppm2      5.551 CV     1
 ASSI { 1815}
   (( segid " 1SG" and resid 105  and name HA  ))
   (( segid " 1SG" and resid 105  and name HB  ))
      2.900     1.000     1.000 peak  1815 spectrum    1 weight  0.10000E+01 volume  0.14788E-02 ppm1      4.515 ppm2      3.913 CV     1
 ASSI { 1823}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 104  and name HB2 ))
      2.900     1.100     1.100 peak  1823 spectrum    1 weight  0.10000E+01 volume  0.14728E-02 ppm1      0.619 ppm2      1.254 CV     1
 ASSI { 1827}
   (( segid " 1SG" and resid 52   and name HA  ))
   (( segid " 1SG" and resid 52   and name HG1 ))
      2.900     1.100     1.100 peak  1827 spectrum    1 weight  0.10000E+01 volume  0.14673E-02 ppm1      4.627 ppm2      1.339 CV     1
 OR { 1827}
   (( segid " 1SG" and resid 52   and name HA  ))
   (( segid " 1SG" and resid 52   and name HG2 ))
 ASSI { 1830}
   (( segid " 1SG" and resid 29   and name HA  ))
   (  segid " 1SG" and resid 8    and name HG2%)
      3.000     1.100     1.100 peak  1830 spectrum    1 weight  0.10000E+01 volume  0.14640E-02 ppm1      4.395 ppm2      0.954 CV     1
 ASSI { 1831}
   (  segid " 1SG" and resid 49   and name HD2%)
   (( segid " 1SG" and resid 49   and name HB2 ))
      3.200     1.300     1.300 peak  1831 spectrum    1 weight  0.10000E+01 volume  0.14635E-02 ppm1      1.030 ppm2      1.580 CV     1
 ASSI { 1841}
   (( segid " 1SG" and resid 52   and name HB2 ))
   (( segid " 1SG" and resid 52   and name HA  ))
      2.800     1.000     1.000 peak  1841 spectrum    1 weight  0.10000E+01 volume  0.14524E-02 ppm1      1.738 ppm2      4.629 CV     1
 ASSI { 1843}
   (( segid " 1SG" and resid 58   and name HA  ))
   (( segid " 1SG" and resid 58   and name HG2 ))
      3.400     1.400     1.400 peak  1843 spectrum    1 weight  0.10000E+01 volume  0.14514E-02 ppm1      4.621 ppm2      1.817 CV     1
 ASSI { 1852}
   (( segid " 1SG" and resid 69   and name HA  ))
   (( segid " 1SG" and resid 29   and name HA  ))
      2.900     1.100     1.100 peak  1852 spectrum    1 weight  0.10000E+01 volume  0.14364E-02 ppm1      4.592 ppm2      4.392 CV     1
 ASSI { 1875}
   (( segid " 1SG" and resid 22   and name HB  ))
   (( segid " 1SG" and resid 104  and name HB2 ))
      3.100     3.100     2.900 peak  1875 spectrum    1 weight  0.10000E+01 volume  0.14139E-02 ppm1      1.541 ppm2      1.250 CV     1
 ASSI { 1880}
   (( segid " 1SG" and resid 56   and name HA  ))
   (( segid " 1SG" and resid 56   and name HB2 ))
      2.900     1.100     1.100 peak  1880 spectrum    1 weight  0.10000E+01 volume  0.14101E-02 ppm1      4.971 ppm2      3.108 CV     1
 ASSI { 1884}
   (( segid " 1SG" and resid 52   and name HG2 ))
   (( segid " 1SG" and resid 53   and name HB  ))
      3.400     3.400     2.600 peak  1884 spectrum    1 weight  0.10000E+01 volume  0.14085E-02 ppm1      1.340 ppm2      2.157 CV     1
 OR { 1884}
   (( segid " 1SG" and resid 52   and name HG1 ))
   (( segid " 1SG" and resid 53   and name HB  ))
 ASSI { 1887}
   (( segid " 1SG" and resid 4    and name HB  ))
   (( segid " 1SG" and resid 4    and name HA  ))
      2.900     1.000     1.000 peak  1887 spectrum    1 weight  0.10000E+01 volume  0.14078E-02 ppm1      2.054 ppm2      4.033 CV     1
 ASSI { 1888}
   (( segid " 1SG" and resid 37   and name HB2 ))
   (( segid " 1SG" and resid 37   and name HA  ))
      3.100     1.200     1.200 peak  1888 spectrum    1 weight  0.10000E+01 volume  0.14071E-02 ppm1      1.383 ppm2      4.501 CV     1
 ASSI { 1889}
   (( segid " 1SG" and resid 91   and name HA  ))
   (( segid " 1SG" and resid 91   and name HB  ))
      2.800     1.000     1.000 peak  1889 spectrum    1 weight  0.10000E+01 volume  0.14068E-02 ppm1      4.743 ppm2      1.134 CV     1
 ASSI { 1894}
   (  segid " 1SG" and resid 8    and name HG2%)
   (( segid " 1SG" and resid 28   and name HA  ))
      3.200     1.200     1.200 peak  1894 spectrum    1 weight  0.10000E+01 volume  0.14030E-02 ppm1      0.958 ppm2      4.912 CV     1
 OR { 1894}
   (  segid " 1SG" and resid 8    and name HG1%)
   (( segid " 1SG" and resid 28   and name HA  ))
 ASSI { 1902}
   (( segid " 1SG" and resid 27   and name HA  ))
   (( segid " 1SG" and resid 71   and name HA  ))
      2.600     0.900     0.900 peak  1902 spectrum    1 weight  0.10000E+01 volume  0.13969E-02 ppm1      5.835 ppm2      5.076 CV     1
 ASSI { 1907}
   (( segid " 1SG" and resid 4    and name HB  ))
   (( segid " 1SG" and resid 4    and name HG12))
      2.900     1.000     1.000 peak  1907 spectrum    1 weight  0.10000E+01 volume  0.13869E-02 ppm1      2.046 ppm2      1.247 CV     1
 ASSI { 1908}
   (( segid " 1SG" and resid 45   and name HG2 ))
   (( segid " 1SG" and resid 45   and name HD2 ))
      2.800     1.000     1.000 peak  1908 spectrum    1 weight  0.10000E+01 volume  0.13865E-02 ppm1      0.596 ppm2      1.238 CV     1
 OR { 1908}
   (( segid " 1SG" and resid 45   and name HG2 ))
   (( segid " 1SG" and resid 45   and name HD1 ))
 ASSI { 1919}
   (( segid " 1SG" and resid 80   and name HA  ))
   (( segid " 1SG" and resid 80   and name HG2 ))
      3.300     1.300     1.300 peak  1919 spectrum    1 weight  0.10000E+01 volume  0.13753E-02 ppm1      4.639 ppm2      2.129 CV     1
 OR { 1919}
   (( segid " 1SG" and resid 80   and name HA  ))
   (( segid " 1SG" and resid 80   and name HG1 ))
 ASSI { 1932}
   (  segid " 1SG" and resid 57   and name HD2%)
   (  segid " 1SG" and resid 59   and name HD1%)
      3.400     1.400     1.400 peak  1932 spectrum    1 weight  0.10000E+01 volume  0.13612E-02 ppm1      0.616 ppm2      0.865 CV     1
 OR { 1932}
   (  segid " 1SG" and resid 57   and name HD1%)
   (  segid " 1SG" and resid 59   and name HD1%)
 ASSI { 1936}
   (  segid " 1SG" and resid 39   and name HG2%)
   (  segid " 1SG" and resid 28   and name HG2%)
      3.000     1.100     1.100 peak  1936 spectrum    1 weight  0.10000E+01 volume  0.13591E-02 ppm1     -0.444 ppm2      0.644 CV     1
 ASSI { 1956}
   (( segid " 1SG" and resid 83   and name HA  ))
   (( segid " 1SG" and resid 83   and name HB2 ))
      2.800     1.000     1.000 peak  1956 spectrum    1 weight  0.10000E+01 volume  0.13436E-02 ppm1      4.609 ppm2      3.190 CV     1
 ASSI { 1966}
   (( segid " 1SG" and resid 57   and name HB2 ))
   (( segid " 1SG" and resid 53   and name HA  ))
      3.500     1.600     1.600 peak  1966 spectrum    1 weight  0.10000E+01 volume  0.13339E-02 ppm1      1.492 ppm2      4.054 CV     1
 ASSI { 1968}
   (( segid " 1SG" and resid 33   and name HA  ))
   (( segid " 1SG" and resid 34   and name HA  ))
      3.200     1.300     1.300 peak  1968 spectrum    1 weight  0.10000E+01 volume  0.13327E-02 ppm1      4.451 ppm2      4.327 CV     1
 ASSI { 1975}
   (( segid " 1SG" and resid 7    and name HA  ))
   (( segid " 1SG" and resid 5    and name HA2 ))
      2.600     2.600     3.400 peak  1975 spectrum    1 weight  0.10000E+01 volume  0.13252E-02 ppm1      4.659 ppm2      3.881 CV     1
 OR { 1975}
   (( segid " 1SG" and resid 7    and name HA  ))
   (( segid " 1SG" and resid 5    and name HA1 ))
 ASSI { 1977}
   (  segid " 1SG" and resid 38   and name HG2%)
   (( segid " 1SG" and resid 35   and name HD2 ))
      3.000     1.100     1.100 peak  1977 spectrum    1 weight  0.10000E+01 volume  0.13251E-02 ppm1      0.817 ppm2      1.643 CV     1
 OR { 1977}
   (  segid " 1SG" and resid 38   and name HG2%)
   (( segid " 1SG" and resid 35   and name HD1 ))
 OR { 1977}
   (  segid " 1SG" and resid 38   and name HG1%)
   (( segid " 1SG" and resid 35   and name HD1 ))
 OR { 1977}
   (  segid " 1SG" and resid 38   and name HG1%)
   (( segid " 1SG" and resid 35   and name HD2 ))
 ASSI { 1979}
   (  segid " 1SG" and resid 18   and name HG2%)
   (( segid " 1SG" and resid 80   and name HA  ))
      3.000     1.100     1.100 peak  1979 spectrum    1 weight  0.10000E+01 volume  0.13243E-02 ppm1      0.965 ppm2      4.629 CV     1
 ASSI { 1987}
   (( segid " 1SG" and resid 36   and name HD2 ))
   (( segid " 1SG" and resid 35   and name HB1 ))
      2.700     0.900     0.900 peak  1987 spectrum    1 weight  0.10000E+01 volume  0.13130E-02 ppm1      3.509 ppm2      1.780 CV     1
 OR { 1987}
   (( segid " 1SG" and resid 36   and name HD2 ))
   (( segid " 1SG" and resid 35   and name HB2 ))
 ASSI { 1991}
   (  segid " 1SG" and resid 18   and name HG1%)
   (( segid " 1SG" and resid 81   and name HD2 ))
      3.400     1.500     1.500 peak  1991 spectrum    1 weight  0.10000E+01 volume  0.13089E-02 ppm1      1.013 ppm2      3.582 CV     1
 ASSI { 1993}
   (( segid " 1SG" and resid 71   and name HA  ))
   (( segid " 1SG" and resid 71   and name HB2 ))
      2.700     0.900     0.900 peak  1993 spectrum    1 weight  0.10000E+01 volume  0.13071E-02 ppm1      5.070 ppm2      1.269 CV     1
 ASSI { 1994}
   (( segid " 1SG" and resid 103  and name HA  ))
   (( segid " 1SG" and resid 86   and name HA2 ))
      2.500     0.800     0.800 peak  1994 spectrum    1 weight  0.10000E+01 volume  0.13067E-02 ppm1      5.554 ppm2      4.675 CV     1
 ASSI { 1996}
   (( segid " 1SG" and resid 81   and name HD2 ))
   (( segid " 1SG" and resid 80   and name HG2 ))
      3.300     1.400     1.400 peak  1996 spectrum    1 weight  0.10000E+01 volume  0.13055E-02 ppm1      3.576 ppm2      2.181 CV     1
 OR { 1996}
   (( segid " 1SG" and resid 81   and name HD2 ))
   (( segid " 1SG" and resid 80   and name HG1 ))
 ASSI { 2003}
   (( segid " 1SG" and resid 57   and name HG  ))
   (  segid " 1SG" and resid 49   and name HD1%)
      3.100     1.200     1.200 peak  2003 spectrum    1 weight  0.10000E+01 volume  0.12965E-02 ppm1      0.757 ppm2      1.744 CV     1
 ASSI { 2006}
   (( segid " 1SG" and resid 22   and name HA  ))
   (  segid " 1SG" and resid 22   and name HD1%)
      3.000     1.100     1.100 peak  2006 spectrum    1 weight  0.10000E+01 volume  0.12950E-02 ppm1      4.352 ppm2      0.547 CV     1
 OR { 2006}
   (( segid " 1SG" and resid 22   and name HA  ))
   (  segid " 1SG" and resid 22   and name HG2%)
 ASSI { 2007}
   (  segid " 1SG" and resid 76   and name HG2%)
   (( segid " 1SG" and resid 57   and name HB2 ))
      2.600     0.900     0.900 peak  2007 spectrum    1 weight  0.10000E+01 volume  0.12946E-02 ppm1      0.827 ppm2      1.423 CV     1
 ASSI { 2008}
   (( segid " 1SG" and resid 33   and name HG  ))
   (( segid " 1SG" and resid 35   and name HA  ))
      3.200     1.300     1.300 peak  2008 spectrum    1 weight  0.10000E+01 volume  0.12946E-02 ppm1      0.923 ppm2      4.674 CV     1
 ASSI { 2016}
   (  segid " 1SG" and resid 22   and name HG2%)
   (( segid " 1SG" and resid 22   and name HA  ))
      3.300     1.300     1.300 peak  2016 spectrum    1 weight  0.10000E+01 volume  0.12890E-02 ppm1      0.604 ppm2      4.356 CV     1
 ASSI { 2017}
   (( segid " 1SG" and resid 90   and name HA  ))
   (( segid " 1SG" and resid 99   and name HA  ))
      2.800     1.000     1.000 peak  2017 spectrum    1 weight  0.10000E+01 volume  0.12887E-02 ppm1      4.768 ppm2      5.709 CV     1
 ASSI { 2024}
   (  segid " 1SG" and resid 49   and name HD2%)
   (  segid " 1SG" and resid 87   and name HD% )
      3.100     1.200     1.200 peak  2024 spectrum    1 weight  0.10000E+01 volume  0.12814E-02 ppm1      1.029 ppm2      6.809 CV     1
 ASSI { 2025}
   (( segid " 1SG" and resid 4    and name HA  ))
   (( segid " 1SG" and resid 4    and name HG12))
      3.100     1.200     1.200 peak  2025 spectrum    1 weight  0.10000E+01 volume  0.12808E-02 ppm1      4.024 ppm2      1.245 CV     1
 ASSI { 2030}
   (  segid " 1SG" and resid 104  and name HD1%)
   (( segid " 1SG" and resid 15   and name HA  ))
      3.100     1.200     1.200 peak  2030 spectrum    1 weight  0.10000E+01 volume  0.12796E-02 ppm1      0.983 ppm2      5.499 CV     1
 ASSI { 2043}
   (( segid " 1SG" and resid 89   and name HA  ))
   (( segid " 1SG" and resid 99   and name HB2 ))
      3.200     3.200     2.800 peak  2043 spectrum    1 weight  0.10000E+01 volume  0.12678E-02 ppm1      4.982 ppm2      2.753 CV     1
 ASSI { 2047}
   (( segid " 1SG" and resid 40   and name HB2 ))
   (( segid " 1SG" and resid 40   and name HD1 ))
      2.800     1.000     1.000 peak  2047 spectrum    1 weight  0.10000E+01 volume  0.12655E-02 ppm1      1.370 ppm2      1.689 CV     1
 OR { 2047}
   (( segid " 1SG" and resid 40   and name HB2 ))
   (( segid " 1SG" and resid 40   and name HD2 ))
 ASSI { 2051}
   (( segid " 1SG" and resid 80   and name HG2 ))
   (( segid " 1SG" and resid 83   and name HA  ))
      3.100     1.200     1.200 peak  2051 spectrum    1 weight  0.10000E+01 volume  0.12641E-02 ppm1      2.158 ppm2      4.588 CV     1
 OR { 2051}
   (( segid " 1SG" and resid 80   and name HG1 ))
   (( segid " 1SG" and resid 83   and name HA  ))
 ASSI { 2053}
   (( segid " 1SG" and resid 27   and name HD1 ))
   (  segid " 1SG" and resid 8    and name HG1%)
      3.000     1.100     1.100 peak  2053 spectrum    1 weight  0.10000E+01 volume  0.12613E-02 ppm1      3.129 ppm2      0.966 CV     1
 OR { 2053}
   (( segid " 1SG" and resid 27   and name HD2 ))
   (  segid " 1SG" and resid 8    and name HG1%)
 ASSI { 2066}
   (( segid " 1SG" and resid 10   and name HB2 ))
   (  segid " 1SG" and resid 26   and name HB% )
      3.300     3.300     2.700 peak  2066 spectrum    1 weight  0.10000E+01 volume  0.12479E-02 ppm1      1.238 ppm2      1.481 CV     1
 ASSI { 2078}
   (  segid " 1SG" and resid 69   and name HG2%)
   (( segid " 1SG" and resid 27   and name HA  ))
      3.200     1.300     1.300 peak  2078 spectrum    1 weight  0.10000E+01 volume  0.12379E-02 ppm1      0.856 ppm2      5.839 CV     1
 OR { 2078}
   (  segid " 1SG" and resid 69   and name HG1%)
   (( segid " 1SG" and resid 27   and name HA  ))
 ASSI { 2079}
   (  segid " 1SG" and resid 77   and name HG2%)
   (( segid " 1SG" and resid 21   and name HB2 ))
      3.000     1.200     1.200 peak  2079 spectrum    1 weight  0.10000E+01 volume  0.12370E-02 ppm1      1.049 ppm2      3.757 CV     1
 ASSI { 2082}
   (( segid " 1SG" and resid 21   and name HA  ))
   (( segid " 1SG" and resid 20   and name HN  ))
      3.100     3.100     2.900 peak  2082 spectrum    1 weight  0.10000E+01 volume  0.12357E-02 ppm1      5.517 ppm2      8.843 CV     1
 ASSI { 2087}
   (( segid " 1SG" and resid 58   and name HG2 ))
   (( segid " 1SG" and resid 75   and name HB2 ))
      3.100     1.200     1.200 peak  2087 spectrum    1 weight  0.10000E+01 volume  0.12302E-02 ppm1      1.816 ppm2      2.887 CV     1
 OR { 2087}
   (( segid " 1SG" and resid 58   and name HG2 ))
   (( segid " 1SG" and resid 75   and name HB1 ))
 ASSI { 2091}
   (( segid " 1SG" and resid 38   and name HA  ))
   (( segid " 1SG" and resid 38   and name HB  ))
      3.000     1.100     1.100 peak  2091 spectrum    1 weight  0.10000E+01 volume  0.12282E-02 ppm1      3.896 ppm2      1.900 CV     1
 ASSI { 2110}
   (( segid " 1SG" and resid 37   and name HD2 ))
   (( segid " 1SG" and resid 37   and name HG2 ))
      2.800     1.000     1.000 peak  2110 spectrum    1 weight  0.10000E+01 volume  0.12161E-02 ppm1      2.368 ppm2      1.373 CV     1
 OR { 2110}
   (( segid " 1SG" and resid 37   and name HD2 ))
   (( segid " 1SG" and resid 37   and name HB2 ))
 ASSI { 2115}
   (( segid " 1SG" and resid 97   and name HA  ))
   (( segid " 1SG" and resid 97   and name HB2 ))
      2.900     1.100     1.100 peak  2115 spectrum    1 weight  0.10000E+01 volume  0.12131E-02 ppm1      5.275 ppm2      2.707 CV     1
 ASSI { 2121}
   (( segid " 1SG" and resid 76   and name HA  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      3.000     3.000     3.000 peak  2121 spectrum    1 weight  0.10000E+01 volume  0.12092E-02 ppm1      5.017 ppm2      1.434 CV     1
 ASSI { 2125}
   (( segid " 1SG" and resid 73   and name HB2 ))
   (  segid " 1SG" and resid 23   and name HG2%)
      3.000     1.100     1.100 peak  2125 spectrum    1 weight  0.10000E+01 volume  0.12062E-02 ppm1      1.540 ppm2      0.786 CV     1
 ASSI { 2138}
   (( segid " 1SG" and resid 49   and name HA  ))
   (( segid " 1SG" and resid 49   and name HB2 ))
      3.000     1.100     1.100 peak  2138 spectrum    1 weight  0.10000E+01 volume  0.11962E-02 ppm1      3.867 ppm2      1.568 CV     1
 ASSI { 2158}
   (( segid " 1SG" and resid 22   and name HA  ))
   (( segid " 1SG" and resid 22   and name HG12))
      3.500     1.500     1.500 peak  2158 spectrum    1 weight  0.10000E+01 volume  0.11882E-02 ppm1      4.352 ppm2      0.101 CV     1
 ASSI { 2171}
   (( segid " 1SG" and resid 83   and name HA  ))
   (  segid " 1SG" and resid 83   and name HD% )
      2.800     1.000     1.000 peak  2171 spectrum    1 weight  0.10000E+01 volume  0.11802E-02 ppm1      4.623 ppm2      7.128 CV     1
 ASSI { 2173}
   (( segid " 1SG" and resid 48   and name HA  ))
   (( segid " 1SG" and resid 42   and name HA  ))
      3.000     1.100     1.100 peak  2173 spectrum    1 weight  0.10000E+01 volume  0.11776E-02 ppm1      4.223 ppm2      5.804 CV     1
 ASSI { 2183}
   (( segid " 1SG" and resid 77   and name HA  ))
   (( segid " 1SG" and resid 21   and name HB2 ))
      3.100     1.200     1.200 peak  2183 spectrum    1 weight  0.10000E+01 volume  0.11725E-02 ppm1      4.660 ppm2      3.760 CV     1
 ASSI { 2186}
   (( segid " 1SG" and resid 80   and name HG2 ))
   (( segid " 1SG" and resid 106  and name HB  ))
      3.400     3.400     2.600 peak  2186 spectrum    1 weight  0.10000E+01 volume  0.11710E-02 ppm1      2.159 ppm2      1.868 CV     1
 OR { 2186}
   (( segid " 1SG" and resid 80   and name HG1 ))
   (( segid " 1SG" and resid 106  and name HB  ))
 ASSI { 2192}
   (  segid " 1SG" and resid 76   and name HG2%)
   (  segid " 1SG" and resid 83   and name HD% )
      3.100     1.200     1.200 peak  2192 spectrum    1 weight  0.10000E+01 volume  0.11656E-02 ppm1      0.821 ppm2      7.134 CV     1
 ASSI { 2197}
   (( segid " 1SG" and resid 27   and name HD2 ))
   (( segid " 1SG" and resid 9    and name HB2 ))
      2.900     1.100     1.100 peak  2197 spectrum    1 weight  0.10000E+01 volume  0.11630E-02 ppm1      3.125 ppm2      1.911 CV     1
 OR { 2197}
   (( segid " 1SG" and resid 27   and name HD1 ))
   (( segid " 1SG" and resid 9    and name HB2 ))
 ASSI { 2202}
   (  segid " 1SG" and resid 39   and name HG1%)
   (  segid " 1SG" and resid 91   and name HG2%)
      3.100     1.200     1.200 peak  2202 spectrum    1 weight  0.10000E+01 volume  0.11609E-02 ppm1     -0.058 ppm2      0.160 CV     1
 ASSI { 2207}
   (( segid " 1SG" and resid 65   and name HA  ))
   (( segid " 1SG" and resid 68   and name HA  ))
      3.100     1.200     1.200 peak  2207 spectrum    1 weight  0.10000E+01 volume  0.11566E-02 ppm1      3.454 ppm2      3.592 CV     1
 ASSI { 2222}
   (( segid " 1SG" and resid 48   and name HA  ))
   (( segid " 1SG" and resid 48   and name HB2 ))
      3.000     1.200     1.200 peak  2222 spectrum    1 weight  0.10000E+01 volume  0.11455E-02 ppm1      4.212 ppm2      2.933 CV     1
 ASSI { 2227}
   (( segid " 1SG" and resid 104  and name HA  ))
   (( segid " 1SG" and resid 104  and name HG  ))
      3.100     1.200     1.200 peak  2227 spectrum    1 weight  0.10000E+01 volume  0.11418E-02 ppm1      5.435 ppm2      1.354 CV     1
 ASSI { 2241}
   (( segid " 1SG" and resid 27   and name HD2 ))
   (( segid " 1SG" and resid 9    and name HG2 ))
      3.200     1.200     1.200 peak  2241 spectrum    1 weight  0.10000E+01 volume  0.11345E-02 ppm1      3.123 ppm2      2.513 CV     1
 OR { 2241}
   (( segid " 1SG" and resid 27   and name HD1 ))
   (( segid " 1SG" and resid 9    and name HG2 ))
 ASSI { 2243}
   (( segid " 1SG" and resid 28   and name HB  ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      2.900     1.000     1.000 peak  2243 spectrum    1 weight  0.10000E+01 volume  0.11335E-02 ppm1      1.975 ppm2      2.823 CV     1
 ASSI { 2255}
   (  segid " 1SG" and resid 77   and name HG2%)
   (( segid " 1SG" and resid 75   and name HB1 ))
      2.900     1.000     1.000 peak  2255 spectrum    1 weight  0.10000E+01 volume  0.11285E-02 ppm1      1.046 ppm2      2.909 CV     1
 ASSI { 2258}
   (( segid " 1SG" and resid 6    and name HB2 ))
   (  segid " 1SG" and resid 6    and name HD1%)
      3.000     1.100     1.100 peak  2258 spectrum    1 weight  0.10000E+01 volume  0.11272E-02 ppm1      0.963 ppm2      0.668 CV     1
 ASSI { 2270}
   (  segid " 1SG" and resid 23   and name HG2%)
   (  segid " 1SG" and resid 22   and name HD1%)
      3.500     1.600     1.600 peak  2270 spectrum    1 weight  0.10000E+01 volume  0.11204E-02 ppm1      0.784 ppm2      0.496 CV     1
 ASSI { 2271}
   (( segid " 1SG" and resid 76   and name HB  ))
   (( segid " 1SG" and resid 57   and name HB2 ))
      3.700     3.700     2.300 peak  2271 spectrum    1 weight  0.10000E+01 volume  0.11198E-02 ppm1      1.936 ppm2      1.428 CV     1
 ASSI { 2279}
   (( segid " 1SG" and resid 13   and name HA  ))
   (( segid " 1SG" and resid 102  and name HB2 ))
      2.900     1.000     1.000 peak  2279 spectrum    1 weight  0.10000E+01 volume  0.11134E-02 ppm1      5.350 ppm2      2.743 CV     1
 ASSI { 2280}
   (( segid " 1SG" and resid 42   and name HA  ))
   (( segid " 1SG" and resid 42   and name HB2 ))
      2.900     1.100     1.100 peak  2280 spectrum    1 weight  0.10000E+01 volume  0.11127E-02 ppm1      5.803 ppm2      2.501 CV     1
 ASSI { 2289}
   (  segid " 1SG" and resid 28   and name HG2%)
   (( segid " 1SG" and resid 37   and name HB2 ))
      3.200     1.200     1.200 peak  2289 spectrum    1 weight  0.10000E+01 volume  0.11074E-02 ppm1      0.647 ppm2      1.378 CV     1
 OR { 2289}
   (  segid " 1SG" and resid 28   and name HG2%)
   (( segid " 1SG" and resid 37   and name HG2 ))
 ASSI { 2293}
   (( segid " 1SG" and resid 31   and name HA  ))
   (( segid " 1SG" and resid 68   and name HG2 ))
      3.200     1.300     1.300 peak  2293 spectrum    1 weight  0.10000E+01 volume  0.11052E-02 ppm1      4.171 ppm2      1.264 CV     1
 OR { 2293}
   (( segid " 1SG" and resid 31   and name HA  ))
   (( segid " 1SG" and resid 68   and name HG1 ))
 ASSI { 2295}
   (  segid " 1SG" and resid 104  and name HD2%)
   (( segid " 1SG" and resid 83   and name HB2 ))
      3.700     1.700     1.700 peak  2295 spectrum    1 weight  0.10000E+01 volume  0.11044E-02 ppm1      0.843 ppm2      3.209 CV     1
 ASSI { 2296}
   (  segid " 1SG" and resid 59   and name HD2%)
   (( segid " 1SG" and resid 41   and name HD1 ))
      3.100     1.200     1.200 peak  2296 spectrum    1 weight  0.10000E+01 volume  0.11028E-02 ppm1      0.713 ppm2      7.136 CV     1
 ASSI { 2297}
   (( segid " 1SG" and resid 33   and name HB2 ))
   (( segid " 1SG" and resid 93   and name HA  ))
      3.300     3.300     2.700 peak  2297 spectrum    1 weight  0.10000E+01 volume  0.11022E-02 ppm1      1.752 ppm2      4.754 CV     1
 ASSI { 2301}
   (( segid " 1SG" and resid 91   and name HB  ))
   (  segid " 1SG" and resid 39   and name HG2%)
      3.300     1.300     1.300 peak  2301 spectrum    1 weight  0.10000E+01 volume  0.11000E-02 ppm1      1.137 ppm2     -0.446 CV     1
 ASSI { 2304}
   (  segid " 1SG" and resid 49   and name HD2%)
   (( segid " 1SG" and resid 41   and name HB2 ))
      3.100     1.200     1.200 peak  2304 spectrum    1 weight  0.10000E+01 volume  0.10982E-02 ppm1      1.028 ppm2      3.184 CV     1
 ASSI { 2305}
   (( segid " 1SG" and resid 6    and name HG  ))
   (( segid " 1SG" and resid 96   and name HB2 ))
      3.300     3.300     2.700 peak  2305 spectrum    1 weight  0.10000E+01 volume  0.10974E-02 ppm1      1.340 ppm2      1.586 CV     1
 ASSI { 2310}
   (( segid " 1SG" and resid 70   and name HA  ))
   (( segid " 1SG" and resid 70   and name HB2 ))
      3.200     1.300     1.300 peak  2310 spectrum    1 weight  0.10000E+01 volume  0.10943E-02 ppm1      4.744 ppm2      2.830 CV     1
 ASSI { 2317}
   (( segid " 1SG" and resid 93   and name HB  ))
   (  segid " 1SG" and resid 33   and name HD2%)
      3.100     1.200     1.200 peak  2317 spectrum    1 weight  0.10000E+01 volume  0.10916E-02 ppm1      4.559 ppm2      0.871 CV     1
 OR { 2317}
   (( segid " 1SG" and resid 93   and name HB  ))
   (  segid " 1SG" and resid 33   and name HD1%)
 ASSI { 2323}
   (( segid " 1SG" and resid 1    and name HA  ))
   (( segid " 1SG" and resid 94   and name HG1 ))
      3.300     3.300     2.700 peak  2323 spectrum    1 weight  0.10000E+01 volume  0.10891E-02 ppm1      4.616 ppm2      1.378 CV     1
 OR { 2323}
   (( segid " 1SG" and resid 1    and name HA  ))
   (( segid " 1SG" and resid 94   and name HG2 ))
 ASSI { 2331}
   (  segid " 1SG" and resid 106  and name HG1%)
   (( segid " 1SG" and resid 81   and name HA  ))
      3.000     1.100     1.100 peak  2331 spectrum    1 weight  0.10000E+01 volume  0.10856E-02 ppm1      0.693 ppm2      4.008 CV     1
 ASSI { 2335}
   (( segid " 1SG" and resid 39   and name HA  ))
   (( segid " 1SG" and resid 39   and name HB  ))
      3.000     1.100     1.100 peak  2335 spectrum    1 weight  0.10000E+01 volume  0.10813E-02 ppm1      4.804 ppm2      0.587 CV     1
 ASSI { 2340}
   (( segid " 1SG" and resid 98   and name HA  ))
   (( segid " 1SG" and resid 98   and name HB2 ))
      3.100     1.200     1.200 peak  2340 spectrum    1 weight  0.10000E+01 volume  0.10795E-02 ppm1      4.694 ppm2      2.296 CV     1
 ASSI { 2346}
   (( segid " 1SG" and resid 6    and name HB2 ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.100     1.200     1.200 peak  2346 spectrum    1 weight  0.10000E+01 volume  0.10757E-02 ppm1      0.963 ppm2      0.486 CV     1
 ASSI { 2348}
   (  segid " 1SG" and resid 26   and name HB% )
   (  segid " 1SG" and resid 49   and name HD1%)
      3.400     3.400     2.600 peak  2348 spectrum    1 weight  0.10000E+01 volume  0.10744E-02 ppm1      1.470 ppm2      1.753 CV     1
 ASSI { 2362}
   (( segid " 1SG" and resid 7    and name HA  ))
   (( segid " 1SG" and resid 7    and name HB2 ))
      3.100     1.200     1.200 peak  2362 spectrum    1 weight  0.10000E+01 volume  0.10696E-02 ppm1      4.637 ppm2      2.585 CV     1
 ASSI { 2363}
   (( segid " 1SG" and resid 36   and name HA  ))
   (( segid " 1SG" and resid 36   and name HG2 ))
      3.700     1.700     1.700 peak  2363 spectrum    1 weight  0.10000E+01 volume  0.10689E-02 ppm1      4.009 ppm2      1.986 CV     1
 ASSI { 2366}
   (  segid " 1SG" and resid 59   and name HD1%)
   (( segid " 1SG" and resid 59   and name HA  ))
      3.500     1.500     1.500 peak  2366 spectrum    1 weight  0.10000E+01 volume  0.10677E-02 ppm1      0.860 ppm2      5.189 CV     1
 ASSI { 2373}
   (( segid " 1SG" and resid 98   and name HB2 ))
   (( segid " 1SG" and resid 6    and name HB2 ))
      3.000     1.100     1.100 peak  2373 spectrum    1 weight  0.10000E+01 volume  0.10603E-02 ppm1      2.279 ppm2      0.921 CV     1
 ASSI { 2378}
   (( segid " 1SG" and resid 104  and name HA  ))
   (( segid " 1SG" and resid 104  and name HB2 ))
      2.800     1.000     1.000 peak  2378 spectrum    1 weight  0.10000E+01 volume  0.10580E-02 ppm1      5.436 ppm2      1.226 CV     1
 ASSI { 2379}
   (( segid " 1SG" and resid 13   and name HB2 ))
   (( segid " 1SG" and resid 12   and name HB2 ))
      2.700     2.700     3.300 peak  2379 spectrum    1 weight  0.10000E+01 volume  0.10572E-02 ppm1      2.629 ppm2      1.972 CV     1
 ASSI { 2382}
   (  segid " 1SG" and resid 76   and name HD1%)
   (( segid " 1SG" and resid 76   and name HA  ))
      3.400     1.500     1.500 peak  2382 spectrum    1 weight  0.10000E+01 volume  0.10554E-02 ppm1      0.679 ppm2      5.010 CV     1
 ASSI { 2393}
   (( segid " 1SG" and resid 43   and name HA  ))
   (( segid " 1SG" and resid 43   and name HB2 ))
      2.800     1.000     1.000 peak  2393 spectrum    1 weight  0.10000E+01 volume  0.10504E-02 ppm1      4.124 ppm2      1.220 CV     1
 ASSI { 2398}
   (( segid " 1SG" and resid 23   and name HA  ))
   (( segid " 1SG" and resid 23   and name HB  ))
      3.100     1.200     1.200 peak  2398 spectrum    1 weight  0.10000E+01 volume  0.10489E-02 ppm1      5.126 ppm2      3.573 CV     1
 ASSI { 2402}
   (( segid " 1SG" and resid 101  and name HA  ))
   (( segid " 1SG" and resid 101  and name HB2 ))
      3.000     1.100     1.100 peak  2402 spectrum    1 weight  0.10000E+01 volume  0.10446E-02 ppm1      5.518 ppm2      2.697 CV     1
 ASSI { 2404}
   (  segid " 1SG" and resid 106  and name HG1%)
   (( segid " 1SG" and resid 83   and name HB2 ))
      3.200     1.300     1.300 peak  2404 spectrum    1 weight  0.10000E+01 volume  0.10439E-02 ppm1      0.689 ppm2      3.185 CV     1
 ASSI { 2405}
   (  segid " 1SG" and resid 26   and name HB% )
   (( segid " 1SG" and resid 72   and name HB2 ))
      3.100     1.200     1.200 peak  2405 spectrum    1 weight  0.10000E+01 volume  0.10434E-02 ppm1      1.468 ppm2      2.900 CV     1
 ASSI { 2415}
   (( segid " 1SG" and resid 43   and name HB2 ))
   (( segid " 1SG" and resid 43   and name HD1 ))
      3.000     1.100     1.100 peak  2415 spectrum    1 weight  0.10000E+01 volume  0.10355E-02 ppm1      1.235 ppm2      1.303 CV     1
 OR { 2415}
   (( segid " 1SG" and resid 43   and name HB2 ))
   (( segid " 1SG" and resid 43   and name HD2 ))
 ASSI { 2419}
   (( segid " 1SG" and resid 68   and name HA  ))
   (( segid " 1SG" and resid 68   and name HD2 ))
      3.500     1.500     1.500 peak  2419 spectrum    1 weight  0.10000E+01 volume  0.10343E-02 ppm1      3.611 ppm2      1.688 CV     1
 OR { 2419}
   (( segid " 1SG" and resid 68   and name HA  ))
   (( segid " 1SG" and resid 68   and name HD1 ))
 ASSI { 2422}
   (( segid " 1SG" and resid 77   and name HB  ))
   (( segid " 1SG" and resid 21   and name HB2 ))
      3.300     1.400     1.400 peak  2422 spectrum    1 weight  0.10000E+01 volume  0.10325E-02 ppm1      4.020 ppm2      3.721 CV     1
 ASSI { 2436}
   (( segid " 1SG" and resid 90   and name HA  ))
   (( segid " 1SG" and resid 90   and name HB2 ))
      2.900     1.100     1.100 peak  2436 spectrum    1 weight  0.10000E+01 volume  0.10236E-02 ppm1      4.768 ppm2      2.030 CV     1
 ASSI { 2444}
   (( segid " 1SG" and resid 39   and name HA  ))
   (  segid " 1SG" and resid 91   and name HG1%)
      3.400     1.500     1.500 peak  2444 spectrum    1 weight  0.10000E+01 volume  0.10171E-02 ppm1      4.810 ppm2      0.189 CV     1
 OR { 2444}
   (( segid " 1SG" and resid 39   and name HA  ))
   (  segid " 1SG" and resid 91   and name HG2%)
 ASSI { 2455}
   (( segid " 1SG" and resid 24   and name HB2 ))
   (  segid " 1SG" and resid 24   and name HD% )
      3.000     1.100     1.100 peak  2455 spectrum    1 weight  0.10000E+01 volume  0.10126E-02 ppm1      2.410 ppm2      6.966 CV     1
 ASSI { 2461}
   (( segid " 1SG" and resid 34   and name HG  ))
   (( segid " 1SG" and resid 34   and name HA  ))
      3.200     1.300     1.300 peak  2461 spectrum    1 weight  0.10000E+01 volume  0.10069E-02 ppm1      0.937 ppm2      4.292 CV     1
 ASSI { 2472}
   (( segid " 1SG" and resid 41   and name HA  ))
   (( segid " 1SG" and resid 41   and name HB2 ))
      3.200     1.300     1.300 peak  2472 spectrum    1 weight  0.10000E+01 volume  0.10011E-02 ppm1      5.478 ppm2      3.157 CV     1
 ASSI { 2478}
   (  segid " 1SG" and resid 49   and name HD2%)
   (( segid " 1SG" and resid 53   and name HN  ))
      3.200     1.300     1.300 peak  2478 spectrum    1 weight  0.10000E+01 volume  0.99451E-03 ppm1      1.042 ppm2      6.757 CV     1
 ASSI { 2484}
   (( segid " 1SG" and resid 103  and name HA  ))
   (( segid " 1SG" and resid 86   and name HA1 ))
      4.000     2.000     2.000 peak  2484 spectrum    1 weight  0.10000E+01 volume  0.99275E-03 ppm1      5.555 ppm2      3.498 CV     1
 ASSI { 2491}
   (( segid " 1SG" and resid 76   and name HA  ))
   (( segid " 1SG" and resid 76   and name HG12))
      2.900     1.100     1.100 peak  2491 spectrum    1 weight  0.10000E+01 volume  0.98917E-03 ppm1      5.014 ppm2      1.107 CV     1
 ASSI { 2498}
   (( segid " 1SG" and resid 69   and name HA  ))
   (( segid " 1SG" and resid 69   and name HB  ))
      3.100     1.200     1.200 peak  2498 spectrum    1 weight  0.10000E+01 volume  0.98305E-03 ppm1      4.599 ppm2      1.771 CV     1
 ASSI { 2500}
   (( segid " 1SG" and resid 3    and name HD1 ))
   (( segid " 1SG" and resid 3    and name HB1 ))
      3.600     1.600     1.600 peak  2500 spectrum    1 weight  0.10000E+01 volume  0.98038E-03 ppm1      3.865 ppm2      2.293 CV     1
 OR { 2500}
   (( segid " 1SG" and resid 3    and name HD2 ))
   (( segid " 1SG" and resid 3    and name HB2 ))
 OR { 2500}
   (( segid " 1SG" and resid 3    and name HD2 ))
   (( segid " 1SG" and resid 3    and name HB1 ))
 OR { 2500}
   (( segid " 1SG" and resid 3    and name HD1 ))
   (( segid " 1SG" and resid 3    and name HB2 ))
 ASSI { 2501}
   (( segid " 1SG" and resid 42   and name HA  ))
   (  segid " 1SG" and resid 49   and name HD1%)
      3.200     1.200     1.200 peak  2501 spectrum    1 weight  0.10000E+01 volume  0.98019E-03 ppm1      5.813 ppm2      1.783 CV     1
 ASSI { 2511}
   (( segid " 1SG" and resid 16   and name HB  ))
   (( segid " 1SG" and resid 22   and name HB  ))
      3.000     1.200     1.200 peak  2511 spectrum    1 weight  0.10000E+01 volume  0.96938E-03 ppm1      1.814 ppm2      1.533 CV     1
 ASSI { 2519}
   (( segid " 1SG" and resid 94   and name HA  ))
   (( segid " 1SG" and resid 94   and name HD1 ))
      3.600     1.600     1.600 peak  2519 spectrum    1 weight  0.10000E+01 volume  0.96672E-03 ppm1      4.053 ppm2      1.701 CV     1
 OR { 2519}
   (( segid " 1SG" and resid 94   and name HA  ))
   (( segid " 1SG" and resid 94   and name HD2 ))
 ASSI { 2523}
   (  segid " 1SG" and resid 53   and name HG1%)
   (( segid " 1SG" and resid 43   and name HB2 ))
      3.300     3.300     2.700 peak  2523 spectrum    1 weight  0.10000E+01 volume  0.96502E-03 ppm1      1.111 ppm2      1.209 CV     1
 OR { 2523}
   (  segid " 1SG" and resid 53   and name HG2%)
   (( segid " 1SG" and resid 43   and name HB2 ))
 ASSI { 2528}
   (( segid " 1SG" and resid 6    and name HA  ))
   (  segid " 1SG" and resid 6    and name HD2%)
      3.400     1.400     1.400 peak  2528 spectrum    1 weight  0.10000E+01 volume  0.96216E-03 ppm1      4.452 ppm2      0.493 CV     1
 ASSI { 2531}
   (  segid " 1SG" and resid 26   and name HB% )
   (( segid " 1SG" and resid 41   and name HH2 ))
      2.900     2.900     3.100 peak  2531 spectrum    1 weight  0.10000E+01 volume  0.96021E-03 ppm1      1.462 ppm2      6.633 CV     1
 ASSI { 2535}
   (( segid " 1SG" and resid 76   and name HA  ))
   (( segid " 1SG" and resid 76   and name HB  ))
      3.000     1.100     1.100 peak  2535 spectrum    1 weight  0.10000E+01 volume  0.95643E-03 ppm1      5.017 ppm2      1.937 CV     1
 ASSI { 2536}
   (( segid " 1SG" and resid 59   and name HG  ))
   (  segid " 1SG" and resid 74   and name HD2%)
      3.100     1.200     1.200 peak  2536 spectrum    1 weight  0.10000E+01 volume  0.95630E-03 ppm1      1.444 ppm2      0.414 CV     1
 OR { 2536}
   (( segid " 1SG" and resid 59   and name HG  ))
   (  segid " 1SG" and resid 74   and name HD1%)
 ASSI { 2549}
   (  segid " 1SG" and resid 39   and name HG2%)
   (( segid " 1SG" and resid 37   and name HB2 ))
      3.000     1.100     1.100 peak  2549 spectrum    1 weight  0.10000E+01 volume  0.94934E-03 ppm1     -0.453 ppm2      1.391 CV     1
 OR { 2549}
   (  segid " 1SG" and resid 39   and name HG2%)
   (( segid " 1SG" and resid 37   and name HG2 ))
 ASSI { 2550}
   (( segid " 1SG" and resid 85   and name HA2 ))
   (( segid " 1SG" and resid 44   and name HA2 ))
      3.500     1.500     1.500 peak  2550 spectrum    1 weight  0.10000E+01 volume  0.94921E-03 ppm1      4.537 ppm2      3.813 CV     1
 ASSI { 2580}
   (  segid " 1SG" and resid 59   and name HD1%)
   (( segid " 1SG" and resid 41   and name HD1 ))
      3.100     1.200     1.200 peak  2580 spectrum    1 weight  0.10000E+01 volume  0.92786E-03 ppm1      0.866 ppm2      7.141 CV     1
 ASSI { 2583}
   (  segid " 1SG" and resid 4    and name HG2%)
   (( segid " 1SG" and resid 7    and name HB2 ))
      3.600     3.600     2.400 peak  2583 spectrum    1 weight  0.10000E+01 volume  0.92675E-03 ppm1      0.908 ppm2      2.570 CV     1
 ASSI { 2588}
   (( segid " 1SG" and resid 81   and name HA  ))
   (( segid " 1SG" and resid 80   and name HG2 ))
      3.300     1.300     1.300 peak  2588 spectrum    1 weight  0.10000E+01 volume  0.92278E-03 ppm1      4.001 ppm2      2.191 CV     1
 OR { 2588}
   (( segid " 1SG" and resid 81   and name HA  ))
   (( segid " 1SG" and resid 80   and name HG1 ))
 ASSI { 2591}
   (( segid " 1SG" and resid 43   and name HA  ))
   (( segid " 1SG" and resid 43   and name HG2 ))
      3.300     1.400     1.400 peak  2591 spectrum    1 weight  0.10000E+01 volume  0.92044E-03 ppm1      4.134 ppm2      0.081 CV     1
 ASSI { 2595}
   (( segid " 1SG" and resid 108  and name HA  ))
   (  segid " 1SG" and resid 106  and name HG2%)
      2.800     2.800     3.200 peak  2595 spectrum    1 weight  0.10000E+01 volume  0.91900E-03 ppm1      4.150 ppm2      0.398 CV     1
 ASSI { 2607}
   (  segid " 1SG" and resid 104  and name HD2%)
   (( segid " 1SG" and resid 104  and name HA  ))
      3.400     1.400     1.400 peak  2607 spectrum    1 weight  0.10000E+01 volume  0.90996E-03 ppm1      0.833 ppm2      5.446 CV     1
 ASSI {   29}
   (  segid " 1SG" and resid 97   and name HD% )
   (  segid " 1SG" and resid 97   and name HE% )
      2.100     0.500     0.500 peak    29 spectrum    1 weight  0.10000E+01 volume  0.74801E-02 ppm1      7.085 ppm2      7.264 CV     1
 ASSI {   35}
   (  segid " 1SG" and resid 42   and name HE% )
   (( segid " 1SG" and resid 42   and name HZ  ))
      2.100     0.600     0.600 peak    35 spectrum    1 weight  0.10000E+01 volume  0.64442E-02 ppm1      7.079 ppm2      7.178 CV     1
 ASSI {   46}
   (  segid " 1SG" and resid 70   and name HD% )
   (( segid " 1SG" and resid 70   and name HB2 ))
      2.100     0.500     0.500 peak    46 spectrum    1 weight  0.10000E+01 volume  0.67973E-02 ppm1      7.029 ppm2      2.797 CV     1
 ASSI {   53}
   (  segid " 1SG" and resid 42   and name HD% )
   (  segid " 1SG" and resid 42   and name HE% )
      2.400     0.700     0.700 peak    53 spectrum    1 weight  0.10000E+01 volume  0.33383E-02 ppm1      6.664 ppm2      7.098 CV     1
 ASSI {   62}
   (  segid " 1SG" and resid 87   and name HE% )
   (  segid " 1SG" and resid 104  and name HD1%)
      2.300     2.300     3.700 peak    62 spectrum    1 weight  0.10000E+01 volume  0.67973E-02 ppm1      6.552 ppm2      0.945 CV     1
 ASSI {   77}
   (  segid " 1SG" and resid 63   and name HE% )
   (  segid " 1SG" and resid 63   and name HD% )
      2.600     0.900     0.900 peak    77 spectrum    1 weight  0.10000E+01 volume  0.18952E-02 ppm1      6.071 ppm2      5.874 CV     1
 ASSI {   87}
   (( segid " 1SG" and resid 46   and name HH2 ))
   (( segid " 1SG" and resid 46   and name HZ2 ))
      2.700     0.900     0.900 peak    87 spectrum    1 weight  0.10000E+01 volume  0.16011E-02 ppm1      7.111 ppm2      7.374 CV     1
 ASSI {   97}
   (  segid " 1SG" and resid 70   and name HE% )
   (  segid " 1SG" and resid 70   and name HD% )
      2.700     0.900     0.900 peak    97 spectrum    1 weight  0.10000E+01 volume  0.13550E-02 ppm1      6.595 ppm2      7.034 CV     1
 ASSI {  104}
   (( segid " 1SG" and resid 46   and name HD1 ))
   (( segid " 1SG" and resid 46   and name HB2 ))
      2.100     2.100     3.900 peak   104 spectrum    1 weight  0.10000E+01 volume  0.67973E-02 ppm1      7.109 ppm2      3.051 CV     1
 ASSI {  109}
   (  segid " 1SG" and resid 87   and name HD% )
   (  segid " 1SG" and resid 87   and name HE% )
      2.700     0.900     0.900 peak   109 spectrum    1 weight  0.10000E+01 volume  0.12124E-02 ppm1      6.767 ppm2      6.573 CV     1
 ASSI {  120}
   (  segid " 1SG" and resid 102  and name HD% )
   (  segid " 1SG" and resid 102  and name HE% )
      2.100     0.500     0.500 peak   120 spectrum    1 weight  0.10000E+01 volume  0.67973E-02 ppm1      6.778 ppm2      7.092 CV     1
 ASSI {  125}
   (( segid " 1SG" and resid 56   and name HE1 ))
   (( segid " 1SG" and resid 57   and name HG  ))
      3.100     1.200     1.200 peak   125 spectrum    1 weight  0.10000E+01 volume  0.10271E-02 ppm1      7.630 ppm2      0.738 CV     1
 ASSI {  180}
   (( segid " 1SG" and resid 75   and name HE1 ))
   (( segid " 1SG" and resid 75   and name HB2 ))
      2.400     2.400     3.600 peak   180 spectrum    1 weight  0.10000E+01 volume  0.66795E-02 ppm1      8.255 ppm2      2.876 CV     1
 OR {  180}
   (( segid " 1SG" and resid 75   and name HE1 ))
   (( segid " 1SG" and resid 75   and name HB1 ))
 ASSI {  187}
   (  segid " 1SG" and resid 24   and name HD% )
   (  segid " 1SG" and resid 24   and name HE% )
      2.100     0.600     0.600 peak   187 spectrum    1 weight  0.10000E+01 volume  0.66795E-02 ppm1      6.951 ppm2      7.189 CV     1
 ASSI {  190}
   (  segid " 1SG" and resid 83   and name HD% )
   (  segid " 1SG" and resid 83   and name HE% )
      2.000     0.500     0.500 peak   190 spectrum    1 weight  0.10000E+01 volume  0.67069E-02 ppm1      7.090 ppm2      7.269 CV     1
 ASSI {  192}
   (  segid " 1SG" and resid 63   and name HE% )
   (( segid " 1SG" and resid 65   and name HG2 ))
      1.900     1.900     4.100 peak   192 spectrum    1 weight  0.10000E+01 volume  0.67069E-02 ppm1      6.071 ppm2      1.670 CV     1
 OR {  192}
   (  segid " 1SG" and resid 63   and name HE% )
   (( segid " 1SG" and resid 65   and name HG1 ))
 ASSI {  195}
   (( segid " 1SG" and resid 41   and name HZ2 ))
   (( segid " 1SG" and resid 41   and name HH2 ))
      2.000     0.500     0.500 peak   195 spectrum    1 weight  0.10000E+01 volume  0.67069E-02 ppm1      7.080 ppm2      6.606 CV     1
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!AMIDE!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
assign ( resid 108 and name HN ) ( resid 107 and name HA ) 1.969 6.0 0.5 
assign ( resid 66 and name HN ) ( resid 66 and name HB# ) 3.006 6.0 0.5 
assign ( resid 46 and name HE1 ) ( resid 46 and name HD1 ) 2.051 6.0 0.5 
assign ( resid 61 and name HN ) ( resid 60 and name HA ) 2.057 6.0 0.5 
assign ( resid 39 and name HN ) ( resid 38 and name HA ) 2.061 6.0 0.5 
assign ( resid 17 and name HN ) ( resid 16 and name HA ) 2.069 6.0 0.5 
assign ( resid 41 and name HE1 ) ( resid 41 and name HD1 ) 2.083 6.0 0.5 
assign ( resid 13 and name HN ) ( resid 12 and name HA ) 2.114 6.0 0.5 
assign ( resid 95 and name HN ) ( resid 95 and name HA ) 2.259 6.0 0.5 
assign ( resid 53 and name HN ) ( resid 53 and name HG2# ) 3.141 6.0 0.5 
assign ( resid 84 and name HN ) ( resid 84 and name HB ) 2.157 6.0 0.5 
assign ( resid 21 and name HN ) ( resid 20 and name HA2 ) 2.164 6.0 0.5 
assign ( resid 79 and name HN ) ( resid 79 and name HB# ) 3.166 6.0 0.5 
assign ( resid 18 and name HN ) ( resid 17 and name HA ) 2.172 6.0 0.5 
assign ( resid 54 and name HN ) ( resid 53 and name HA ) 2.198 6.0 0.5 
assign ( resid 107 and name HN ) ( resid 106 and name HA ) 2.202 6.0 0.5 
assign ( resid 63 and name HN ) ( resid 63 and name HA ) 2.206 6.0 0.5 
assign ( resid 96 and name HN ) ( resid 96 and name HA ) 2.360 6.0 0.5 
assign ( resid 16 and name HN ) ( resid 15 and name HA ) 2.221 6.0 0.5 
assign ( resid 93 and name HN ) ( resid 92 and name HA ) 2.227 6.0 0.5 
assign ( resid 59 and name HN ) ( resid 58 and name HA ) 2.229 6.0 0.5 
assign ( resid 65 and name HN ) ( resid 64 and name HA ) 2.239 6.0 0.5 
assign ( resid 48 and name HN ) ( resid 47 and name HA ) 2.245 6.0 0.5 
assign ( resid 21 and name HN ) ( resid 20 and name HA1 ) 2.245 6.0 0.5 
assign ( resid 23 and name HN ) ( resid 22 and name HA ) 2.248 6.0 0.5 
assign ( resid 60 and name HN ) ( resid 59 and name HA ) 2.250 6.0 0.5 
assign ( resid 22 and name HN ) ( resid 21 and name HA ) 2.253 6.0 0.5 
assign ( resid 35 and name HN ) ( resid 35 and name HD# ) 3.254 6.0 0.5 
assign ( resid 58 and name HN ) ( resid 57 and name HA ) 2.256 6.0 0.5 
assign ( resid 62 and name HN ) ( resid 61 and name HA ) 2.257 6.0 0.5 
assign ( resid 53 and name HN ) ( resid 53 and name HB ) 2.260 6.0 0.5 
assign ( resid 4 and name HN ) ( resid 4 and name HB ) 2.265 6.0 0.5 
assign ( resid 77 and name HN ) ( resid 76 and name HA ) 2.272 6.0 0.5 
assign ( resid 85 and name HN ) ( resid 84 and name HB ) 2.275 6.0 0.5 
assign ( resid 66 and name HN ) ( resid 66 and name HA ) 2.276 6.0 0.5 
assign ( resid 18 and name HN ) ( resid 18 and name HB ) 2.283 6.0 0.5 
assign ( resid 29 and name HN ) ( resid 29 and name HB# ) 3.287 6.0 0.5 
assign ( resid 47 and name HN ) ( resid 47 and name HG1# ) 3.289 6.0 0.5 
assign ( resid 18 and name HN ) ( resid 18 and name HG2# ) 3.292 6.0 0.5 
assign ( resid 108 and name HN ) ( resid 108 and name HB2 ) 2.299 6.0 0.5 
assign ( resid 19 and name HN ) ( resid 18 and name HA ) 2.308 6.0 0.5 
assign ( resid 15 and name HN ) ( resid 14 and name HA1 ) 2.310 6.0 0.5 
assign ( resid 79 and name HN ) ( resid 78 and name HA ) 2.316 6.0 0.5 
assign ( resid 40 and name HN ) ( resid 39 and name HA ) 2.325 6.0 0.5 
assign ( resid 38 and name HN ) ( resid 37 and name HA ) 2.328 6.0 0.5 
assign ( resid 29 and name HN ) ( resid 28 and name HA ) 2.332 6.0 0.5 
assign ( resid 2 and name HN ) ( resid 1 and name HA ) 2.338 6.0 0.5 
assign ( resid 25 and name HN ) ( resid 24 and name HA ) 2.341 6.0 0.5 
assign ( resid 41 and name HN ) ( resid 40 and name HA ) 2.342 6.0 0.5 
assign ( resid 108 and name HN ) ( resid 107 and name HB# ) 3.345 6.0 0.5 
assign ( resid 64 and name HN ) ( resid 63 and name HA ) 2.349 6.0 0.5 
assign ( resid 76 and name HN ) ( resid 75 and name HA ) 2.349 6.0 0.5 
assign ( resid 24 and name HN ) ( resid 23 and name HA ) 2.352 6.0 0.5 
assign ( resid 92 and name HN ) ( resid 91 and name HA ) 2.355 6.0 0.5 
assign ( resid 78 and name HN ) ( resid 78 and name HA ) 2.362 6.0 0.5 
assign ( resid 67 and name HN ) ( resid 66 and name HB# ) 3.363 6.0 0.5 
assign ( resid 4 and name HN ) ( resid 3 and name HA ) 2.366 6.0 0.5 
assign ( resid 69 and name HN ) ( resid 69 and name HB ) 2.370 6.0 0.5 
assign ( resid 108 and name HN ) ( resid 108 and name HA ) 2.376 6.0 0.5 
assign ( resid 30 and name HN ) ( resid 29 and name HA ) 2.379 6.0 0.5 
assign ( resid 78 and name HN ) ( resid 77 and name HA ) 2.387 6.0 0.5 
assign ( resid 20 and name HN ) ( resid 20 and name HA2 ) 2.394 6.0 0.5 
assign ( resid 68 and name HN ) ( resid 68 and name HA ) 2.396 6.0 0.5 
assign ( resid 17 and name HN ) ( resid 17 and name HB ) 2.397 6.0 0.5 
assign ( resid 69 and name HN ) ( resid 69 and name HG# ) 3.397 6.0 0.5 
assign ( resid 63 and name HN ) ( resid 62 and name HA ) 2.405 6.0 0.5 
assign ( resid 14 and name HN ) ( resid 13 and name HA ) 2.406 6.0 0.5 
assign ( resid 73 and name HN ) ( resid 72 and name HA ) 2.408 6.0 0.5 
assign ( resid 46 and name HE1 ) ( resid 46 and name HZ2 ) 2.409 6.0 0.5 
assign ( resid 53 and name HN ) ( resid 52 and name HN ) 2.411 6.0 0.5 
assign ( resid 20 and name HN ) ( resid 20 and name HA1 ) 2.412 6.0 0.5 
assign ( resid 26 and name HN ) ( resid 25 and name HA ) 2.420 6.0 0.5 
assign ( resid 106 and name HN ) ( resid 105 and name HA ) 2.421 6.0 0.5 
assign ( resid 15 and name HN ) ( resid 14 and name HA2 ) 2.424 6.0 0.5 
assign ( resid 65 and name HN ) ( resid 65 and name HB# ) 3.424 6.0 0.5 
assign ( resid 71 and name HN ) ( resid 70 and name HA ) 2.425 6.0 0.5 
assign ( resid 52 and name HN ) ( resid 53 and name HN ) 2.428 6.0 0.5 
assign ( resid 16 and name HN ) ( resid 16 and name HG2# ) 3.430 6.0 0.5 
assign ( resid 66 and name HN ) ( resid 67 and name HN ) 2.431 6.0 0.5 
assign ( resid 2 and name HN ) ( resid 2 and name HB2 ) 2.436 6.0 0.5 
assign ( resid 39 and name HN ) ( resid 39 and name HB ) 2.442 6.0 0.5 
assign ( resid 35 and name HN ) ( resid 35 and name HA ) 2.445 6.0 0.5 
assign ( resid 75 and name HN ) ( resid 74 and name HA ) 2.446 6.0 0.5 
assign ( resid 15 and name HN ) ( resid 22 and name HD1# ) 3.457 6.0 0.5 
assign ( resid 85 and name HN ) ( resid 84 and name HG2# ) 3.459 6.0 0.5 
assign ( resid 22 and name HN ) ( resid 22 and name HG2# ) 3.461 6.0 0.5 
assign ( resid 67 and name HN ) ( resid 68 and name HN ) 2.463 6.0 0.5 
assign ( resid 38 and name HN ) ( resid 38 and name HG1# ) 3.464 6.0 0.5 
assign ( resid 108 and name HN ) ( resid 108 and name HG# ) 3.470 6.0 0.5 
assign ( resid 108 and name HN ) ( resid 108 and name HB1 ) 2.471 6.0 0.5 
assign ( resid 27 and name HN ) ( resid 26 and name HA ) 2.480 6.0 0.5 
assign ( resid 47 and name HN ) ( resid 47 and name HB ) 2.485 6.0 0.5 
assign ( resid 13 and name HN ) ( resid 13 and name HB2 ) 2.485 6.0 0.5 
assign ( resid 57 and name HN ) ( resid 57 and name HB2 ) 2.488 6.0 0.5 
assign ( resid 104 and name HN ) ( resid 103 and name HA ) 2.488 6.0 0.5 
assign ( resid 99 and name HN ) ( resid 98 and name HA ) 2.488 6.0 0.5 
assign ( resid 38 and name HN ) ( resid 38 and name HB ) 2.489 6.0 0.5 
assign ( resid 31 and name HN ) ( resid 31 and name HB# ) 3.496 6.0 0.5 
assign ( resid 70 and name HN ) ( resid 69 and name HA ) 2.496 6.0 0.5 
assign ( resid 83 and name HN ) ( resid 84 and name HN ) 2.497 6.0 0.5 
assign ( resid 84 and name HN ) ( resid 83 and name HN ) 2.500 6.0 0.5 
assign ( resid 105 and name HN ) ( resid 105 and name HG2# ) 3.504 6.0 0.5 
assign ( resid 103 and name HN ) ( resid 102 and name HA ) 2.505 6.0 0.5 
assign ( resid 16 and name HN ) ( resid 16 and name HG1# ) 3.511 6.0 0.5 
assign ( resid 67 and name HN ) ( resid 66 and name HN ) 2.514 6.0 0.5 
assign ( resid 23 and name HN ) ( resid 23 and name HB ) 2.514 6.0 0.5 
assign ( resid 17 and name HN ) ( resid 17 and name HA ) 2.516 6.0 0.5 
assign ( resid 68 and name HN ) ( resid 67 and name HN ) 2.526 6.0 0.5 
assign ( resid 35 and name HN ) ( resid 35 and name HG# ) 3.527 6.0 0.5 
assign ( resid 79 and name HN ) ( resid 79 and name HA ) 2.532 6.0 0.5 
assign ( resid 65 and name HN ) ( resid 65 and name HG# ) 3.534 6.0 0.5 
assign ( resid 72 and name HN ) ( resid 71 and name HA ) 2.535 6.0 0.5 
assign ( resid 17 and name HN ) ( resid 17 and name HG2# ) 3.536 6.0 0.5 
assign ( resid 93 and name HN ) ( resid 92 and name HB# ) 3.539 6.0 0.5 
assign ( resid 96 and name HN ) ( resid 95 and name HN ) 2.550 6.0 0.5 
assign ( resid 59 and name HN ) ( resid 59 and name HB# ) 3.552 6.0 0.5 
assign ( resid 2 and name HN ) ( resid 2 and name HB1 ) 2.556 6.0 0.5 
assign ( resid 4 and name HN ) ( resid 5 and name HN ) 2.556 6.0 0.5 
assign ( resid 69 and name HN ) ( resid 68 and name HN ) 2.558 6.0 0.5 
assign ( resid 48 and name HN ) ( resid 48 and name HB1 ) 2.559 6.0 0.5 
assign ( resid 105 and name HN ) ( resid 104 and name HA ) 2.559 6.0 0.5 
assign ( resid 50 and name HN ) ( resid 50 and name HB1 ) 2.559 6.0 0.5 
assign ( resid 13 and name HN ) ( resid 13 and name HB1 ) 2.561 6.0 0.5 
assign ( resid 4 and name HN ) ( resid 4 and name HA ) 2.562 6.0 0.5 
assign ( resid 95 and name HN ) ( resid 96 and name HN ) 2.566 6.0 0.5 
assign ( resid 79 and name HN ) ( resid 78 and name HN ) 2.569 6.0 0.5 
assign ( resid 86 and name HN ) ( resid 85 and name HA1 ) 2.570 6.0 0.5 
assign ( resid 48 and name HN ) ( resid 48 and name HB2 ) 2.573 6.0 0.5 
assign ( resid 64 and name HN ) ( resid 64 and name HB1 ) 2.577 6.0 0.5 
assign ( resid 98 and name HN ) ( resid 97 and name HA ) 2.579 6.0 0.5 
assign ( resid 86 and name HN ) ( resid 85 and name HA2 ) 2.579 6.0 0.5 
assign ( resid 86 and name HN ) ( resid 86 and name HA2 ) 2.584 6.0 0.5 
assign ( resid 19 and name HN ) ( resid 19 and name HA2 ) 2.584 6.0 0.5 
assign ( resid 28 and name HN ) ( resid 27 and name HA ) 2.591 6.0 0.5 
assign ( resid 53 and name HN ) ( resid 53 and name HA ) 2.592 6.0 0.5 
assign ( resid 84 and name HN ) ( resid 84 and name HG2# ) 3.593 6.0 0.5 
assign ( resid 30 and name HN ) ( resid 29 and name HB# ) 3.594 6.0 0.5 
assign ( resid 52 and name HN ) ( resid 51 and name HN ) 2.595 6.0 0.5 
assign ( resid 24 and name HN ) ( resid 23 and name HG2# ) 3.597 6.0 0.5 
assign ( resid 2 and name HN ) ( resid 2 and name HA ) 2.598 6.0 0.5 
assign ( resid 69 and name HN ) ( resid 68 and name HA ) 2.598 6.0 0.5 
assign ( resid 90 and name HN ) ( resid 89 and name HA ) 2.599 6.0 0.5 
assign ( resid 41 and name HE1 ) ( resid 39 and name HG1# ) 3.599 6.0 0.5 
assign ( resid 93 and name HN ) ( resid 93 and name HA ) 2.601 6.0 0.5 
assign ( resid 68 and name HN ) ( resid 69 and name HN ) 2.603 6.0 0.5 
assign ( resid 67 and name HN ) ( resid 67 and name HA ) 2.610 6.0 0.5 
assign ( resid 83 and name HN ) ( resid 83 and name HA ) 2.611 6.0 0.5 
assign ( resid 49 and name HN ) ( resid 48 and name HA ) 2.614 6.0 0.5 
assign ( resid 74 and name HN ) ( resid 73 and name HA ) 2.615 6.0 0.5 
assign ( resid 52 and name HN ) ( resid 52 and name HA ) 2.615 6.0 0.5 
assign ( resid 44 and name HN ) ( resid 43 and name HA ) 2.620 6.0 0.5 
assign ( resid 4 and name HN ) ( resid 4 and name HG2# ) 3.622 6.0 0.5 
assign ( resid 83 and name HN ) ( resid 83 and name HB2 ) 2.624 6.0 0.5 
assign ( resid 64 and name HN ) ( resid 64 and name HB2 ) 2.627 6.0 0.5 
assign ( resid 75 and name HN ) ( resid 75 and name HB# ) 3.634 6.0 0.5 
assign ( resid 15 and name HN ) ( resid 15 and name HB# ) 3.635 6.0 0.5 
assign ( resid 83 and name HN ) ( resid 82 and name HA ) 2.638 6.0 0.5 
assign ( resid 41 and name HE1 ) ( resid 59 and name HD2# ) 3.641 6.0 0.5 
assign ( resid 20 and name HN ) ( resid 19 and name HN ) 2.644 6.0 0.5 
assign ( resid 18 and name HN ) ( resid 17 and name HB ) 2.646 6.0 0.5 
assign ( resid 16 and name HN ) ( resid 106 and name HA ) 2.648 6.0 0.5 
assign ( resid 107 and name HN ) ( resid 107 and name HB# ) 3.648 6.0 0.5 
assign ( resid 65 and name HN ) ( resid 65 and name HA ) 2.650 6.0 0.5 
assign ( resid 21 and name HN ) ( resid 20 and name HN ) 2.653 6.0 0.5 
assign ( resid 43 and name HN ) ( resid 42 and name HA ) 2.655 6.0 0.5 
assign ( resid 57 and name HN ) ( resid 54 and name HN ) 2.658 6.0 0.5 
assign ( resid 16 and name HN ) ( resid 15 and name HB# ) 3.658 6.0 0.5 
assign ( resid 16 and name HN ) ( resid 16 and name HA ) 2.658 6.0 0.5 
assign ( resid 53 and name HN ) ( resid 52 and name HA ) 2.658 6.0 0.5 
assign ( resid 48 and name HN ) ( resid 47 and name HG2# ) 3.660 6.0 0.5 
assign ( resid 39 and name HN ) ( resid 39 and name HG2# ) 3.660 6.0 0.5 
assign ( resid 18 and name HN ) ( resid 18 and name HA ) 2.666 6.0 0.5 
assign ( resid 47 and name HN ) ( resid 47 and name HG2# ) 3.669 6.0 0.5 
assign ( resid 66 and name HN ) ( resid 65 and name HN ) 2.670 6.0 0.5 
assign ( resid 17 and name HN ) ( resid 16 and name HB ) 2.672 6.0 0.5 
assign ( resid 67 and name HN ) ( resid 67 and name HB# ) 3.673 6.0 0.5 
assign ( resid 62 and name HN ) ( resid 61 and name HB2 ) 2.674 6.0 0.5 
assign ( resid 64 and name HN ) ( resid 64 and name HA ) 2.675 6.0 0.5 
assign ( resid 77 and name HN ) ( resid 77 and name HG2# ) 3.679 6.0 0.5 
assign ( resid 21 and name HN ) ( resid 21 and name HB1 ) 2.679 6.0 0.5 
assign ( resid 42 and name HN ) ( resid 41 and name HA ) 2.680 6.0 0.5 
assign ( resid 28 and name HN ) ( resid 28 and name HG1# ) 3.682 6.0 0.5 
assign ( resid 76 and name HN ) ( resid 76 and name HB ) 2.685 6.0 0.5 
assign ( resid 96 and name HN ) ( resid 96 and name HG# ) 3.686 6.0 0.5 
assign ( resid 50 and name HN ) ( resid 50 and name HB2 ) 2.690 6.0 0.5 
assign ( resid 51 and name HN ) ( resid 52 and name HN ) 2.690 6.0 0.5 
assign ( resid 26 and name HN ) ( resid 26 and name HB# ) 3.691 6.0 0.5 
assign ( resid 21 and name HN ) ( resid 21 and name HA ) 2.692 6.0 0.5 
assign ( resid 57 and name HN ) ( resid 57 and name HA ) 2.693 6.0 0.5 
assign ( resid 107 and name HN ) ( resid 107 and name HA ) 2.694 6.0 0.5 
assign ( resid 52 and name HN ) ( resid 52 and name HG# ) 3.696 6.0 0.5 
assign ( resid 13 and name HN ) ( resid 13 and name HA ) 2.696 6.0 0.5 
assign ( resid 44 and name HN ) ( resid 44 and name HA2 ) 2.698 6.0 0.5 
assign ( resid 70 and name HN ) ( resid 70 and name HD# ) 4.699 6.0 0.5 
assign ( resid 12 and name HN ) ( resid 12 and name HG# ) 3.701 6.0 0.5 
assign ( resid 9 and name HN ) ( resid 8 and name HN ) 2.703 6.0 0.5 
assign ( resid 60 and name HN ) ( resid 59 and name HB# ) 3.703 6.0 0.5 
assign ( resid 62 and name HN ) ( resid 62 and name HA ) 2.703 6.0 0.5 
assign ( resid 60 and name HN ) ( resid 60 and name HA ) 2.704 6.0 0.5 
assign ( resid 69 and name HN ) ( resid 69 and name HA ) 2.704 6.0 0.5 
assign ( resid 106 and name HN ) ( resid 106 and name HG1# ) 3.709 6.0 0.5 
assign ( resid 41 and name HN ) ( resid 41 and name HD1 ) 2.711 6.0 0.5 
assign ( resid 51 and name HN ) ( resid 51 and name HA ) 2.719 6.0 0.5 
assign ( resid 15 and name HN ) ( resid 15 and name HG# ) 3.720 6.0 0.5 
assign ( resid 17 and name HN ) ( resid 16 and name HG2# ) 3.720 6.0 0.5 
assign ( resid 15 and name HN ) ( resid 15 and name HA ) 2.722 6.0 0.5 
assign ( resid 103 and name HD21 ) ( resid 103 and name HB2 ) 2.722 6.0 0.5 
assign ( resid 61 and name HN ) ( resid 60 and name HB1 ) 2.722 6.0 0.5 
assign ( resid 22 and name HN ) ( resid 21 and name HB1 ) 2.723 6.0 0.5 
assign ( resid 83 and name HN ) ( resid 83 and name HB1 ) 2.723 6.0 0.5 
assign ( resid 100 and name HN ) ( resid 99 and name HA ) 2.726 6.0 0.5 
assign ( resid 62 and name HN ) ( resid 61 and name HB1 ) 2.726 6.0 0.5 
assign ( resid 38 and name HN ) ( resid 38 and name HA ) 2.729 6.0 0.5 
assign ( resid 52 and name HN ) ( resid 52 and name HB1 ) 2.730 6.0 0.5 
assign ( resid 103 and name HN ) ( resid 103 and name HB2 ) 2.730 6.0 0.5 
assign ( resid 19 and name HN ) ( resid 20 and name HN ) 2.733 6.0 0.5 
assign ( resid 50 and name HN ) ( resid 50 and name HA ) 2.735 6.0 0.5 
assign ( resid 30 and name HN ) ( resid 69 and name HA ) 2.737 6.0 0.5 
assign ( resid 87 and name HN ) ( resid 86 and name HA2 ) 2.739 6.0 0.5 
assign ( resid 61 and name HN ) ( resid 61 and name HA ) 2.739 6.0 0.5 
assign ( resid 87 and name HN ) ( resid 86 and name HA1 ) 2.740 6.0 0.5 
assign ( resid 103 and name HN ) ( resid 13 and name HA ) 2.742 6.0 0.5 
assign ( resid 8 and name HN ) ( resid 7 and name HA ) 2.742 6.0 0.5 
assign ( resid 86 and name HN ) ( resid 86 and name HA1 ) 2.743 6.0 0.5 
assign ( resid 78 and name HN ) ( resid 77 and name HB ) 2.748 6.0 0.5 
assign ( resid 101 and name HN ) ( resid 100 and name HA ) 2.755 6.0 0.5 
assign ( resid 65 and name HN ) ( resid 66 and name HN ) 2.755 6.0 0.5 
assign ( resid 63 and name HN ) ( resid 62 and name HB2 ) 2.755 6.0 0.5 
assign ( resid 8 and name HN ) ( resid 8 and name HG# ) 3.755 6.0 0.5 
assign ( resid 52 and name HN ) ( resid 52 and name HB2 ) 2.762 6.0 0.5 
assign ( resid 39 and name HN ) ( resid 39 and name HG1# ) 3.763 6.0 0.5 
assign ( resid 96 and name HN ) ( resid 96 and name HB1 ) 2.763 6.0 0.5 
assign ( resid 38 and name HN ) ( resid 37 and name HB2 ) 2.766 6.0 0.5 
assign ( resid 48 and name HN ) ( resid 47 and name HG1# ) 3.768 6.0 0.5 
assign ( resid 51 and name HN ) ( resid 51 and name HB2 ) 2.770 6.0 0.5 
assign ( resid 54 and name HN ) ( resid 54 and name HA2 ) 2.770 6.0 0.5 
assign ( resid 24 and name HN ) ( resid 24 and name HD# ) 4.782 6.0 0.5 
assign ( resid 27 and name HN ) ( resid 26 and name HB# ) 3.844 6.0 0.5 
assign ( resid 47 and name HN ) ( resid 47 and name HA ) 2.785 6.0 0.5 
assign ( resid 5 and name HN ) ( resid 4 and name HN ) 2.786 6.0 0.5 
assign ( resid 22 and name HN ) ( resid 21 and name HB2 ) 2.787 6.0 0.5 
assign ( resid 51 and name HN ) ( resid 51 and name HB1 ) 2.902 6.0 0.5 
assign ( resid 51 and name HN ) ( resid 50 and name HN ) 2.788 6.0 0.5 
assign ( resid 85 and name HN ) ( resid 85 and name HA1 ) 2.789 6.0 0.5 
assign ( resid 22 and name HN ) ( resid 22 and name HA ) 2.792 6.0 0.5 
assign ( resid 50 and name HN ) ( resid 51 and name HN ) 2.792 6.0 0.5 
assign ( resid 30 and name HN ) ( resid 30 and name HA2 ) 2.795 6.0 0.5 
assign ( resid 68 and name HN ) ( resid 68 and name HB2 ) 2.801 6.0 0.5 
assign ( resid 71 and name HN ) ( resid 71 and name HB1 ) 2.805 6.0 0.5 
assign ( resid 97 and name HN ) ( resid 97 and name HB2 ) 2.806 6.0 0.5 
assign ( resid 83 and name HN ) ( resid 83 and name HD# ) 4.806 6.0 0.5 
assign ( resid 23 and name HN ) ( resid 22 and name HB ) 2.807 6.0 0.5 
assign ( resid 20 and name HN ) ( resid 21 and name HN ) 2.809 6.0 0.5 
assign ( resid 44 and name HN ) ( resid 44 and name HA1 ) 2.810 6.0 0.5 
assign ( resid 1 and name HN ) ( resid 1 and name HA ) 2.812 6.0 0.5 
assign ( resid 103 and name HN ) ( resid 103 and name HB1 ) 2.812 6.0 0.5 
assign ( resid 67 and name HN ) ( resid 66 and name HA ) 2.813 6.0 0.5 
assign ( resid 106 and name HN ) ( resid 106 and name HB ) 2.813 6.0 0.5 
assign ( resid 87 and name HN ) ( resid 87 and name HD# ) 4.818 6.0 0.5 
assign ( resid 61 and name HN ) ( resid 60 and name HB2 ) 2.820 6.0 0.5 
assign ( resid 82 and name HN ) ( resid 82 and name HB# ) 3.823 6.0 0.5 
assign ( resid 97 and name HN ) ( resid 96 and name HB2 ) 2.825 6.0 0.5 
assign ( resid 85 and name HN ) ( resid 85 and name HA2 ) 2.828 6.0 0.5 
assign ( resid 12 and name HN ) ( resid 12 and name HB2 ) 2.831 6.0 0.5 
assign ( resid 14 and name HN ) ( resid 13 and name HB1 ) 2.831 6.0 0.5 
assign ( resid 88 and name HN ) ( resid 87 and name HA ) 2.836 6.0 0.5 
assign ( resid 57 and name HN ) ( resid 56 and name HA ) 2.838 6.0 0.5 
assign ( resid 59 and name HN ) ( resid 58 and name HB# ) 3.840 6.0 0.5 
assign ( resid 75 and name HN ) ( resid 58 and name HN ) 2.841 6.0 0.5 
assign ( resid 29 and name HN ) ( resid 29 and name HA ) 2.849 6.0 0.5 
assign ( resid 1 and name HN ) ( resid 1 and name HB2 ) 2.854 6.0 0.5 
assign ( resid 54 and name HN ) ( resid 54 and name HA1 ) 2.854 6.0 0.5 
assign ( resid 60 and name HN ) ( resid 60 and name HB2 ) 2.858 6.0 0.5 
assign ( resid 62 and name HN ) ( resid 71 and name HN ) 2.860 6.0 0.5 
assign ( resid 105 and name HN ) ( resid 105 and name HB ) 2.863 6.0 0.5 
assign ( resid 58 and name HN ) ( resid 58 and name HA ) 2.863 6.0 0.5 
assign ( resid 28 and name HN ) ( resid 28 and name HG2# ) 3.865 6.0 0.5 
assign ( resid 48 and name HN ) ( resid 48 and name HA ) 2.866 6.0 0.5 
assign ( resid 40 and name HN ) ( resid 40 and name HB2 ) 2.867 6.0 0.5 
assign ( resid 59 and name HN ) ( resid 59 and name HA ) 2.867 6.0 0.5 
assign ( resid 103 and name HD21 ) ( resid 103 and name HB1 ) 2.868 6.0 0.5 
assign ( resid 107 and name HN ) ( resid 16 and name HN ) 2.870 6.0 0.5 
assign ( resid 96 and name HN ) ( resid 93 and name HN ) 2.870 6.0 0.5 
assign ( resid 71 and name HN ) ( resid 71 and name HB2 ) 2.872 6.0 0.5 
assign ( resid 63 and name HN ) ( resid 62 and name HB1 ) 2.873 6.0 0.5 
assign ( resid 14 and name HN ) ( resid 14 and name HA1 ) 2.874 6.0 0.5 
assign ( resid 41 and name HN ) ( resid 40 and name HB2 ) 2.875 6.0 0.5 
assign ( resid 89 and name HN ) ( resid 88 and name HA ) 2.878 6.0 0.5 
assign ( resid 6 and name HN ) ( resid 6 and name HB1 ) 2.881 6.0 0.5 
assign ( resid 50 and name HN ) ( resid 49 and name HN ) 2.883 6.0 0.5 
assign ( resid 92 and name HN ) ( resid 92 and name HB# ) 3.885 6.0 0.5 
assign ( resid 96 and name HN ) ( resid 96 and name HB2 ) 2.886 6.0 0.5 
assign ( resid 60 and name HN ) ( resid 60 and name HB1 ) 2.887 6.0 0.5 
assign ( resid 39 and name HN ) ( resid 39 and name HA ) 2.889 6.0 0.5 
assign ( resid 72 and name HN ) ( resid 72 and name HD# ) 4.890 6.0 0.5 
assign ( resid 14 and name HN ) ( resid 14 and name HA2 ) 2.892 6.0 0.5 
assign ( resid 77 and name HN ) ( resid 77 and name HA ) 2.892 6.0 0.5 
assign ( resid 8 and name HN ) ( resid 9 and name HN ) 2.894 6.0 0.5 
assign ( resid 44 and name HN ) ( resid 87 and name HA ) 2.900 6.0 0.5 
assign ( resid 30 and name HN ) ( resid 30 and name HA1 ) 2.900 6.0 0.5 
assign ( resid 14 and name HN ) ( resid 13 and name HB2 ) 2.907 6.0 0.5 
assign ( resid 22 and name HN ) ( resid 77 and name HA ) 2.909 6.0 0.5 
assign ( resid 40 and name HN ) ( resid 40 and name HA ) 2.909 6.0 0.5 
assign ( resid 66 and name HN ) ( resid 65 and name HA ) 2.910 6.0 0.5 
assign ( resid 57 and name HN ) ( resid 56 and name HN ) 2.915 6.0 0.5 
assign ( resid 97 and name HN ) ( resid 96 and name HG# ) 3.915 6.0 0.5 
assign ( resid 27 and name HN ) ( resid 27 and name HB# ) 3.916 6.0 0.5 
assign ( resid 9 and name HN ) ( resid 27 and name HN ) 2.916 6.0 0.5 
assign ( resid 95 and name HN ) ( resid 94 and name HA ) 2.925 6.0 0.5 
assign ( resid 63 and name HN ) ( resid 63 and name HB2 ) 2.925 6.0 0.5 
assign ( resid 14 and name HN ) ( resid 104 and name HA ) 2.929 6.0 0.5 
assign ( resid 18 and name HN ) ( resid 108 and name HA ) 2.929 6.0 0.5 
assign ( resid 80 and name HN ) ( resid 79 and name HA ) 2.933 6.0 0.5 
assign ( resid 92 and name HN ) ( resid 38 and name HN ) 2.939 6.0 0.5 
assign ( resid 47 and name HN ) ( resid 46 and name HN ) 2.939 6.0 0.5 
assign ( resid 63 and name HN ) ( resid 63 and name HB1 ) 2.941 6.0 0.5 
assign ( resid 73 and name HN ) ( resid 73 and name HB1 ) 2.941 6.0 0.5 
assign ( resid 78 and name HN ) ( resid 78 and name HB2 ) 2.944 6.0 0.5 
assign ( resid 18 and name HN ) ( resid 107 and name HN ) 2.945 6.0 0.5 
assign ( resid 6 and name HN ) ( resid 6 and name HB2 ) 2.945 6.0 0.5 
assign ( resid 23 and name HN ) ( resid 23 and name HG2# ) 3.946 6.0 0.5 
assign ( resid 28 and name HN ) ( resid 28 and name HB ) 2.948 6.0 0.5 
assign ( resid 61 and name HN ) ( resid 61 and name HB1 ) 2.953 6.0 0.5 
assign ( resid 93 and name HN ) ( resid 96 and name HN ) 2.954 6.0 0.5 
assign ( resid 38 and name HN ) ( resid 92 and name HN ) 2.956 6.0 0.5 
assign ( resid 95 and name HN ) ( resid 95 and name HB1 ) 2.963 6.0 0.5 
assign ( resid 61 and name HN ) ( resid 61 and name HB2 ) 2.967 6.0 0.5 
assign ( resid 58 and name HN ) ( resid 58 and name HG2 ) 2.967 6.0 0.5 
assign ( resid 104 and name HN ) ( resid 103 and name HB1 ) 2.967 6.0 0.5 
assign ( resid 92 and name HN ) ( resid 92 and name HA ) 2.968 6.0 0.5 
assign ( resid 66 and name HN ) ( resid 68 and name HN ) 2.968 6.0 0.5 
assign ( resid 26 and name HN ) ( resid 25 and name HB1 ) 2.972 6.0 0.5 
assign ( resid 16 and name HN ) ( resid 16 and name HB ) 2.973 6.0 0.5 
assign ( resid 97 and name HN ) ( resid 97 and name HA ) 2.973 6.0 0.5 
assign ( resid 97 and name HN ) ( resid 97 and name HB1 ) 2.975 6.0 0.5 
assign ( resid 58 and name HN ) ( resid 58 and name HB# ) 3.976 6.0 0.5 
assign ( resid 25 and name HN ) ( resid 25 and name HB2 ) 2.978 6.0 0.5 
assign ( resid 7 and name HN ) ( resid 7 and name HD# ) 4.979 6.0 0.5 
assign ( resid 75 and name HN ) ( resid 75 and name HA ) 2.980 6.0 0.5 
assign ( resid 71 and name HN ) ( resid 62 and name HN ) 2.981 6.0 0.5 
assign ( resid 38 and name HN ) ( resid 37 and name HB1 ) 2.984 6.0 0.5 
assign ( resid 58 and name HN ) ( resid 75 and name HN ) 2.984 6.0 0.5 
assign ( resid 79 and name HN ) ( resid 19 and name HN ) 2.990 6.0 0.5 
assign ( resid 5 and name HN ) ( resid 4 and name HA ) 2.992 6.0 0.5 
assign ( resid 77 and name HN ) ( resid 57 and name HA ) 2.992 6.0 0.5 
assign ( resid 95 and name HN ) ( resid 94 and name HB2 ) 2.998 6.0 0.5 
assign ( resid 7 and name HN ) ( resid 6 and name HB1 ) 3.002 6.0 0.5 
assign ( resid 16 and name HN ) ( resid 107 and name HN ) 3.003 6.0 0.5 
assign ( resid 103 and name HD22 ) ( resid 103 and name HB2 ) 3.004 6.0 0.5 
assign ( resid 25 and name HN ) ( resid 24 and name HB2 ) 3.176 6.0 0.5 
assign ( resid 60 and name HN ) ( resid 73 and name HN ) 3.008 6.0 0.5 
assign ( resid 73 and name HN ) ( resid 61 and name HA ) 3.008 6.0 0.5 
assign ( resid 24 and name HN ) ( resid 24 and name HA ) 3.008 6.0 0.5 
assign ( resid 28 and name HN ) ( resid 27 and name HB# ) 4.012 6.0 0.5 
assign ( resid 26 and name HN ) ( resid 25 and name HB2 ) 3.014 6.0 0.5 
assign ( resid 38 and name HN ) ( resid 93 and name HA ) 3.018 6.0 0.5 
assign ( resid 25 and name HN ) ( resid 24 and name HD# ) 5.019 6.0 0.5 
assign ( resid 74 and name HN ) ( resid 74 and name HB1 ) 3.021 6.0 0.5 
assign ( resid 68 and name HN ) ( resid 67 and name HA ) 3.021 6.0 0.5 
assign ( resid 107 and name HN ) ( resid 107 and name HD2 ) 3.022 6.0 0.5 
assign ( resid 8 and name HN ) ( resid 8 and name HB ) 3.023 6.0 0.5 
assign ( resid 77 and name HN ) ( resid 77 and name HB ) 3.024 6.0 0.5 
assign ( resid 23 and name HN ) ( resid 23 and name HA ) 3.024 6.0 0.5 
assign ( resid 100 and name HN ) ( resid 90 and name HA ) 3.090 6.0 0.5 
assign ( resid 102 and name HN ) ( resid 102 and name HA ) 3.026 6.0 0.5 
assign ( resid 12 and name HN ) ( resid 12 and name HB1 ) 3.027 6.0 0.5 
assign ( resid 41 and name HN ) ( resid 41 and name HB1 ) 3.028 6.0 0.5 
assign ( resid 40 and name HN ) ( resid 40 and name HB1 ) 3.029 6.0 0.5 
assign ( resid 64 and name HN ) ( resid 69 and name HN ) 3.031 6.0 0.5 
assign ( resid 100 and name HN ) ( resid 100 and name HA ) 3.033 6.0 0.5 
assign ( resid 90 and name HN ) ( resid 90 and name HA ) 3.036 6.0 0.5 
assign ( resid 46 and name HE1 ) ( resid 45 and name HB2 ) 3.079 6.0 0.5 
assign ( resid 39 and name HN ) ( resid 38 and name HB ) 3.040 6.0 0.5 
assign ( resid 26 and name HN ) ( resid 26 and name HA ) 3.041 6.0 0.5 
assign ( resid 106 and name HN ) ( resid 106 and name HG2# ) 4.041 6.0 0.5 
assign ( resid 78 and name HN ) ( resid 21 and name HA ) 3.041 6.0 0.5 
assign ( resid 87 and name HN ) ( resid 103 and name HA ) 3.043 6.0 0.5 
assign ( resid 33 and name HN ) ( resid 33 and name HB2 ) 3.044 6.0 0.5 
assign ( resid 62 and name HN ) ( resid 72 and name HA ) 3.046 6.0 0.5 
assign ( resid 24 and name HN ) ( resid 24 and name HB2 ) 3.066 6.0 0.5 
assign ( resid 72 and name HN ) ( resid 72 and name HB2 ) 3.048 6.0 0.5 
assign ( resid 50 and name HN ) ( resid 49 and name HA ) 3.048 6.0 0.5 
assign ( resid 42 and name HN ) ( resid 42 and name HD# ) 5.048 6.0 0.5 
assign ( resid 58 and name HN ) ( resid 58 and name HG1 ) 3.049 6.0 0.5 
assign ( resid 85 and name HN ) ( resid 104 and name HN ) 3.049 6.0 0.5 
assign ( resid 73 and name HN ) ( resid 60 and name HN ) 3.053 6.0 0.5 
assign ( resid 77 and name HN ) ( resid 76 and name HN ) 3.053 6.0 0.5 
assign ( resid 108 and name HN ) ( resid 107 and name HN ) 3.062 6.0 0.5 
assign ( resid 41 and name HE1 ) ( resid 71 and name HD1# ) 4.062 6.0 0.5 
assign ( resid 6 and name HN ) ( resid 7 and name HN ) 3.063 6.0 0.5 
assign ( resid 104 and name HN ) ( resid 103 and name HB2 ) 3.064 6.0 0.5 
assign ( resid 19 and name HN ) ( resid 18 and name HB ) 3.068 6.0 0.5 
assign ( resid 63 and name HN ) ( resid 63 and name HD# ) 5.070 6.0 0.5 
assign ( resid 13 and name HN ) ( resid 14 and name HN ) 3.070 6.0 0.5 
assign ( resid 69 and name HN ) ( resid 64 and name HN ) 3.073 6.0 0.5 
assign ( resid 102 and name HN ) ( resid 102 and name HB2 ) 3.075 6.0 0.5 
assign ( resid 46 and name HN ) ( resid 47 and name HN ) 3.075 6.0 0.5 
assign ( resid 16 and name HN ) ( resid 105 and name HN ) 3.081 6.0 0.5 
assign ( resid 107 and name HN ) ( resid 18 and name HN ) 3.081 6.0 0.5 
assign ( resid 25 and name HN ) ( resid 25 and name HA ) 3.083 6.0 0.5 
assign ( resid 31 and name HN ) ( resid 31 and name HA ) 3.084 6.0 0.5 
assign ( resid 22 and name HN ) ( resid 22 and name HB ) 3.084 6.0 0.5 
assign ( resid 57 and name HN ) ( resid 57 and name HD# ) 4.085 6.0 0.5 
assign ( resid 61 and name HN ) ( resid 60 and name HN ) 3.092 6.0 0.5 
assign ( resid 74 and name HN ) ( resid 74 and name HB2 ) 3.093 6.0 0.5 
assign ( resid 9 and name HN ) ( resid 8 and name HA ) 3.093 6.0 0.5 
assign ( resid 91 and name HN ) ( resid 91 and name HB ) 3.096 6.0 0.5 
assign ( resid 102 and name HN ) ( resid 88 and name HA ) 3.099 6.0 0.5 
assign ( resid 73 and name HN ) ( resid 73 and name HA ) 3.099 6.0 0.5 
assign ( resid 6 and name HN ) ( resid 6 and name HA ) 3.100 6.0 0.5 
assign ( resid 10 and name HN ) ( resid 10 and name HB2 ) 3.101 6.0 0.5 
assign ( resid 102 and name HN ) ( resid 87 and name HN ) 3.102 6.0 0.5 
assign ( resid 75 and name HN ) ( resid 74 and name HB1 ) 3.103 6.0 0.5 
assign ( resid 49 and name HN ) ( resid 49 and name HA ) 3.104 6.0 0.5 
assign ( resid 7 and name HN ) ( resid 6 and name HN ) 3.105 6.0 0.5 
assign ( resid 57 and name HN ) ( resid 56 and name HB2 ) 3.105 6.0 0.5 
assign ( resid 1 and name HN ) ( resid 1 and name HB1 ) 3.108 6.0 0.5 
assign ( resid 96 and name HN ) ( resid 95 and name HB1 ) 3.110 6.0 0.5 
assign ( resid 104 and name HN ) ( resid 104 and name HA ) 3.111 6.0 0.5 
assign ( resid 54 and name HN ) ( resid 53 and name HN ) 3.111 6.0 0.5 
assign ( resid 7 and name HN ) ( resid 7 and name HB1 ) 3.112 6.0 0.5 
assign ( resid 84 and name HN ) ( resid 85 and name HN ) 3.113 6.0 0.5 
assign ( resid 104 and name HN ) ( resid 104 and name HB1 ) 3.117 6.0 0.5 
assign ( resid 97 and name HN ) ( resid 96 and name HB1 ) 3.117 6.0 0.5 
assign ( resid 41 and name HE1 ) ( resid 39 and name HG2# ) 4.118 6.0 0.5 
assign ( resid 52 and name HN ) ( resid 51 and name HB2 ) 3.120 6.0 0.5 
assign ( resid 103 and name HN ) ( resid 103 and name HA ) 3.121 6.0 0.5 
assign ( resid 8 and name HN ) ( resid 8 and name HA ) 3.123 6.0 0.5 
assign ( resid 68 and name HN ) ( resid 68 and name HB1 ) 3.125 6.0 0.5 
assign ( resid 75 and name HN ) ( resid 59 and name HA ) 3.131 6.0 0.5 
assign ( resid 19 and name HN ) ( resid 78 and name HA ) 3.132 6.0 0.5 
assign ( resid 6 and name HN ) ( resid 5 and name HA# ) 4.133 6.0 0.5 
assign ( resid 26 and name HN ) ( resid 72 and name HN ) 3.134 6.0 0.5 
assign ( resid 46 and name HN ) ( resid 46 and name HB1 ) 3.134 6.0 0.5 
assign ( resid 49 and name HN ) ( resid 49 and name HB2 ) 3.136 6.0 0.5 
assign ( resid 24 and name HN ) ( resid 74 and name HN ) 3.140 6.0 0.5 
assign ( resid 53 and name HN ) ( resid 54 and name HN ) 3.140 6.0 0.5 
assign ( resid 27 and name HN ) ( resid 9 and name HN ) 3.141 6.0 0.5 
assign ( resid 49 and name HN ) ( resid 42 and name HA ) 3.142 6.0 0.5 
assign ( resid 79 and name HN ) ( resid 78 and name HB2 ) 3.144 6.0 0.5 
assign ( resid 50 and name HN ) ( resid 49 and name HB1 ) 3.224 6.0 0.5 
assign ( resid 70 and name HN ) ( resid 70 and name HB2 ) 3.144 6.0 0.5 
assign ( resid 87 and name HN ) ( resid 87 and name HB2 ) 3.145 6.0 0.5 
assign ( resid 78 and name HN ) ( resid 78 and name HB1 ) 3.146 6.0 0.5 
assign ( resid 43 and name HN ) ( resid 43 and name HB1 ) 3.148 6.0 0.5 
assign ( resid 65 and name HN ) ( resid 64 and name HB2 ) 3.148 6.0 0.5 
assign ( resid 40 and name HN ) ( resid 90 and name HN ) 3.149 6.0 0.5 
assign ( resid 68 and name HN ) ( resid 66 and name HN ) 3.151 6.0 0.5 
assign ( resid 72 and name HN ) ( resid 26 and name HN ) 3.151 6.0 0.5 
assign ( resid 7 and name HN ) ( resid 7 and name HB2 ) 3.151 6.0 0.5 
assign ( resid 67 and name HN ) ( resid 69 and name HN ) 3.152 6.0 0.5 
assign ( resid 71 and name HN ) ( resid 70 and name HB1 ) 3.152 6.0 0.5 
assign ( resid 40 and name HN ) ( resid 39 and name HB ) 3.156 6.0 0.5 
assign ( resid 28 and name HN ) ( resid 70 and name HN ) 3.156 6.0 0.5 
assign ( resid 7 and name HN ) ( resid 6 and name HB2 ) 3.159 6.0 0.5 
assign ( resid 104 and name HN ) ( resid 85 and name HN ) 3.160 6.0 0.5 
assign ( resid 71 and name HN ) ( resid 71 and name HA ) 3.160 6.0 0.5 
assign ( resid 31 and name HN ) ( resid 30 and name HN ) 3.160 6.0 0.5 
assign ( resid 52 and name HN ) ( resid 51 and name HB1 ) 3.162 6.0 0.5 
assign ( resid 49 and name HN ) ( resid 50 and name HN ) 3.163 6.0 0.5 
assign ( resid 41 and name HN ) ( resid 41 and name HA ) 3.165 6.0 0.5 
assign ( resid 73 and name HN ) ( resid 73 and name HB2 ) 3.166 6.0 0.5 
assign ( resid 26 and name HN ) ( resid 73 and name HA ) 3.169 6.0 0.5 
assign ( resid 47 and name HN ) ( resid 46 and name HA ) 3.170 6.0 0.5 
assign ( resid 41 and name HN ) ( resid 40 and name HB1 ) 3.172 6.0 0.5 
assign ( resid 53 and name HN ) ( resid 52 and name HB2 ) 3.173 6.0 0.5 
assign ( resid 104 and name HN ) ( resid 104 and name HB2 ) 3.175 6.0 0.5 
assign ( resid 41 and name HN ) ( resid 41 and name HB2 ) 3.178 6.0 0.5 
assign ( resid 69 and name HN ) ( resid 67 and name HN ) 3.179 6.0 0.5 
assign ( resid 86 and name HN ) ( resid 87 and name HN ) 3.181 6.0 0.5 
assign ( resid 88 and name HN ) ( resid 87 and name HD# ) 5.182 6.0 0.5 
assign ( resid 105 and name HN ) ( resid 105 and name HA ) 3.183 6.0 0.5 
assign ( resid 39 and name HN ) ( resid 38 and name HN ) 3.185 6.0 0.5 
assign ( resid 103 and name HD22 ) ( resid 103 and name HB1 ) 3.186 6.0 0.5 
assign ( resid 28 and name HN ) ( resid 28 and name HA ) 3.187 6.0 0.5 
assign ( resid 47 and name HN ) ( resid 46 and name HB1 ) 3.187 6.0 0.5 
assign ( resid 85 and name HN ) ( resid 87 and name HE# ) 5.188 6.0 0.5 
assign ( resid 15 and name HN ) ( resid 14 and name HN ) 3.189 6.0 0.5 
assign ( resid 70 and name HN ) ( resid 70 and name HB1 ) 3.190 6.0 0.5 
assign ( resid 62 and name HN ) ( resid 61 and name HN ) 3.191 6.0 0.5 
assign ( resid 95 and name HN ) ( resid 94 and name HB1 ) 3.192 6.0 0.5 
assign ( resid 61 and name HN ) ( resid 62 and name HN ) 3.194 6.0 0.5 
assign ( resid 7 and name HN ) ( resid 7 and name HA ) 3.195 6.0 0.5 
assign ( resid 100 and name HN ) ( resid 99 and name HB2 ) 3.198 6.0 0.5 
assign ( resid 14 and name HN ) ( resid 15 and name HN ) 3.201 6.0 0.5 
assign ( resid 105 and name HN ) ( resid 16 and name HN ) 3.202 6.0 0.5 
assign ( resid 70 and name HN ) ( resid 70 and name HA ) 3.202 6.0 0.5 
assign ( resid 25 and name HN ) ( resid 25 and name HB1 ) 3.205 6.0 0.5 
assign ( resid 98 and name HN ) ( resid 98 and name HB2 ) 3.411 6.0 0.5 
assign ( resid 62 and name HN ) ( resid 62 and name HB2 ) 3.206 6.0 0.5 
assign ( resid 47 and name HN ) ( resid 43 and name HN ) 3.207 6.0 0.5 
assign ( resid 85 and name HN ) ( resid 84 and name HN ) 3.209 6.0 0.5 
assign ( resid 71 and name HN ) ( resid 72 and name HN ) 3.209 6.0 0.5 
assign ( resid 74 and name HN ) ( resid 25 and name HA ) 3.212 6.0 0.5 
assign ( resid 29 and name HN ) ( resid 8 and name HN ) 3.214 6.0 0.5 
assign ( resid 60 and name HN ) ( resid 59 and name HN ) 3.218 6.0 0.5 
assign ( resid 8 and name HN ) ( resid 7 and name HN ) 3.218 6.0 0.5 
assign ( resid 23 and name HN ) ( resid 22 and name HN ) 3.222 6.0 0.5 
assign ( resid 74 and name HN ) ( resid 73 and name HB1 ) 3.223 6.0 0.5 
assign ( resid 14 and name HN ) ( resid 13 and name HN ) 3.225 6.0 0.5 
assign ( resid 62 and name HN ) ( resid 62 and name HB1 ) 3.225 6.0 0.5 
assign ( resid 74 and name HN ) ( resid 73 and name HB2 ) 3.225 6.0 0.5 
assign ( resid 100 and name HN ) ( resid 99 and name HB1 ) 3.226 6.0 0.5 
assign ( resid 82 and name HN ) ( resid 82 and name HA ) 3.226 6.0 0.5 
assign ( resid 92 and name HN ) ( resid 91 and name HB ) 3.227 6.0 0.5 
assign ( resid 18 and name HN ) ( resid 19 and name HN ) 3.230 6.0 0.5 
assign ( resid 90 and name HN ) ( resid 40 and name HN ) 3.231 6.0 0.5 
assign ( resid 43 and name HN ) ( resid 42 and name HB1 ) 3.231 6.0 0.5 
assign ( resid 90 and name HN ) ( resid 90 and name HB1 ) 3.232 6.0 0.5 
assign ( resid 72 and name HN ) ( resid 72 and name HA ) 3.233 6.0 0.5 
assign ( resid 87 and name HN ) ( resid 87 and name HA ) 3.233 6.0 0.5 
assign ( resid 16 and name HN ) ( resid 17 and name HN ) 3.236 6.0 0.5 
assign ( resid 39 and name HN ) ( resid 40 and name HN ) 3.237 6.0 0.5 
assign ( resid 9 and name HN ) ( resid 9 and name HB1 ) 3.238 6.0 0.5 
assign ( resid 88 and name HN ) ( resid 42 and name HN ) 3.240 6.0 0.5 
assign ( resid 75 and name HN ) ( resid 74 and name HB2 ) 3.241 6.0 0.5 
assign ( resid 47 and name HN ) ( resid 46 and name HB2 ) 3.247 6.0 0.5 
assign ( resid 74 and name HN ) ( resid 24 and name HN ) 3.248 6.0 0.5 
assign ( resid 73 and name HN ) ( resid 72 and name HB1 ) 3.249 6.0 0.5 
assign ( resid 72 and name HN ) ( resid 72 and name HB1 ) 3.250 6.0 0.5 
assign ( resid 42 and name HN ) ( resid 89 and name HA ) 3.253 6.0 0.5 
assign ( resid 78 and name HN ) ( resid 77 and name HN ) 3.255 6.0 0.5 
assign ( resid 90 and name HN ) ( resid 90 and name HB2 ) 3.255 6.0 0.5 
assign ( resid 43 and name HN ) ( resid 43 and name HB2 ) 3.257 6.0 0.5 
assign ( resid 38 and name HN ) ( resid 39 and name HN ) 3.263 6.0 0.5 
assign ( resid 42 and name HN ) ( resid 88 and name HN ) 3.269 6.0 0.5 
assign ( resid 60 and name HN ) ( resid 61 and name HN ) 3.271 6.0 0.5 
assign ( resid 46 and name HN ) ( resid 46 and name HA ) 3.272 6.0 0.5 
assign ( resid 22 and name HN ) ( resid 21 and name HN ) 3.272 6.0 0.5 
assign ( resid 74 and name HN ) ( resid 74 and name HA ) 3.273 6.0 0.5 
assign ( resid 46 and name HE1 ) ( resid 45 and name HB1 ) 3.274 6.0 0.5 
assign ( resid 59 and name HN ) ( resid 60 and name HN ) 3.279 6.0 0.5 
assign ( resid 101 and name HN ) ( resid 101 and name HB2 ) 3.280 6.0 0.5 
assign ( resid 59 and name HN ) ( resid 58 and name HN ) 3.280 6.0 0.5 
assign ( resid 103 and name HD21 ) ( resid 103 and name HN ) 3.281 6.0 0.5 
assign ( resid 91 and name HN ) ( resid 99 and name HA ) 3.283 6.0 0.5 
assign ( resid 18 and name HN ) ( resid 107 and name HB# ) 4.283 6.0 0.5 
assign ( resid 42 and name HN ) ( resid 42 and name HB2 ) 3.284 6.0 0.5 
assign ( resid 57 and name HN ) ( resid 56 and name HB1 ) 3.285 6.0 0.5 
assign ( resid 69 and name HN ) ( resid 70 and name HN ) 3.285 6.0 0.5 
assign ( resid 17 and name HN ) ( resid 16 and name HN ) 3.292 6.0 0.5 
assign ( resid 71 and name HN ) ( resid 70 and name HB2 ) 3.293 6.0 0.5 
assign ( resid 70 and name HN ) ( resid 69 and name HB ) 3.294 6.0 0.5 
assign ( resid 84 and name HN ) ( resid 83 and name HB2 ) 3.294 6.0 0.5 
assign ( resid 30 and name HN ) ( resid 70 and name HD# ) 5.295 6.0 0.5 
assign ( resid 99 and name HN ) ( resid 99 and name HA ) 3.300 6.0 0.5 
assign ( resid 46 and name HN ) ( resid 46 and name HB2 ) 3.304 6.0 0.5 
assign ( resid 87 and name HN ) ( resid 102 and name HN ) 3.307 6.0 0.5 
assign ( resid 24 and name HN ) ( resid 23 and name HB ) 3.310 6.0 0.5 
assign ( resid 60 and name HN ) ( resid 74 and name HA ) 3.311 6.0 0.5 
assign ( resid 47 and name HN ) ( resid 48 and name HN ) 3.313 6.0 0.5 
assign ( resid 30 and name HN ) ( resid 31 and name HN ) 3.316 6.0 0.5 
assign ( resid 7 and name HN ) ( resid 6 and name HA ) 3.319 6.0 0.5 
assign ( resid 19 and name HN ) ( resid 18 and name HN ) 3.322 6.0 0.5 
assign ( resid 84 and name HN ) ( resid 83 and name HB1 ) 3.324 6.0 0.5 
assign ( resid 72 and name HN ) ( resid 27 and name HA ) 3.326 6.0 0.5 
assign ( resid 16 and name HN ) ( resid 105 and name HB ) 3.327 6.0 0.5 
assign ( resid 77 and name HN ) ( resid 76 and name HB ) 3.327 6.0 0.5 
assign ( resid 80 and name HN ) ( resid 79 and name HB# ) 4.328 6.0 0.5 
assign ( resid 22 and name HN ) ( resid 23 and name HN ) 3.332 6.0 0.5 
assign ( resid 73 and name HN ) ( resid 72 and name HB2 ) 3.333 6.0 0.5 
assign ( resid 77 and name HN ) ( resid 78 and name HN ) 3.333 6.0 0.5 
assign ( resid 87 and name HN ) ( resid 87 and name HB1 ) 3.336 6.0 0.5 
assign ( resid 65 and name HN ) ( resid 64 and name HB1 ) 3.341 6.0 0.5 
assign ( resid 93 and name HN ) ( resid 92 and name HN ) 3.342 6.0 0.5 
assign ( resid 76 and name HN ) ( resid 24 and name HN ) 3.347 6.0 0.5 
assign ( resid 90 and name HN ) ( resid 89 and name HB2 ) 3.348 6.0 0.5 
assign ( resid 89 and name HN ) ( resid 89 and name HB2 ) 3.350 6.0 0.5 
assign ( resid 33 and name HN ) ( resid 33 and name HB1 ) 3.351 6.0 0.5 
assign ( resid 10 and name HN ) ( resid 9 and name HB1 ) 3.352 6.0 0.5 
assign ( resid 64 and name HN ) ( resid 63 and name HB2 ) 3.361 6.0 0.5 
assign ( resid 33 and name HN ) ( resid 32 and name HA ) 3.362 6.0 0.5 
assign ( resid 73 and name HN ) ( resid 72 and name HN ) 3.362 6.0 0.5 
assign ( resid 87 and name HN ) ( resid 86 and name HN ) 3.366 6.0 0.5 
assign ( resid 64 and name HN ) ( resid 71 and name HN ) 3.368 6.0 0.5 
assign ( resid 30 and name HN ) ( resid 70 and name HE# ) 5.369 6.0 0.5 
assign ( resid 6 and name HN ) ( resid 6 and name HD1# ) 4.370 6.0 0.5 
assign ( resid 101 and name HN ) ( resid 101 and name HB1 ) 3.372 6.0 0.5 
assign ( resid 43 and name HN ) ( resid 43 and name HA ) 3.372 6.0 0.5 
assign ( resid 101 and name HD22 ) ( resid 101 and name HB1 ) 3.374 6.0 0.5 
assign ( resid 41 and name HE1 ) ( resid 59 and name HG ) 3.374 6.0 0.5 
assign ( resid 97 and name HN ) ( resid 97 and name HD# ) 5.374 6.0 0.5 
assign ( resid 90 and name HN ) ( resid 89 and name HB1 ) 3.705 6.0 0.5 
assign ( resid 99 and name HN ) ( resid 99 and name HB1 ) 3.378 6.0 0.5 
assign ( resid 6 and name HN ) ( resid 6 and name HD2# ) 4.378 6.0 0.5 
assign ( resid 100 and name HN ) ( resid 100 and name HB2 ) 3.379 6.0 0.5 
assign ( resid 46 and name HE1 ) ( resid 47 and name HG2# ) 4.387 6.0 0.5 
assign ( resid 28 and name HN ) ( resid 29 and name HN ) 3.388 6.0 0.5 
assign ( resid 49 and name HN ) ( resid 48 and name HB2 ) 3.389 6.0 0.5 
assign ( resid 44 and name HN ) ( resid 87 and name HN ) 3.389 6.0 0.5 
assign ( resid 86 and name HN ) ( resid 85 and name HN ) 3.393 6.0 0.5 
assign ( resid 90 and name HN ) ( resid 41 and name HA ) 3.394 6.0 0.5 
assign ( resid 60 and name HN ) ( resid 75 and name HN ) 3.395 6.0 0.5 
assign ( resid 43 and name HN ) ( resid 43 and name HD# ) 4.395 6.0 0.5 
assign ( resid 99 and name HN ) ( resid 99 and name HB2 ) 3.398 6.0 0.5 
assign ( resid 79 and name HN ) ( resid 78 and name HB1 ) 3.398 6.0 0.5 
assign ( resid 27 and name HN ) ( resid 27 and name HA ) 3.507 6.0 0.5 
assign ( resid 14 and name HN ) ( resid 105 and name HN ) 3.398 6.0 0.5 
assign ( resid 92 and name HN ) ( resid 93 and name HN ) 3.398 6.0 0.5 
assign ( resid 58 and name HN ) ( resid 59 and name HN ) 3.400 6.0 0.5 
assign ( resid 85 and name HN ) ( resid 86 and name HN ) 3.400 6.0 0.5 
assign ( resid 50 and name HN ) ( resid 52 and name HN ) 3.405 6.0 0.5 
assign ( resid 24 and name HN ) ( resid 76 and name HN ) 3.405 6.0 0.5 
assign ( resid 70 and name HN ) ( resid 29 and name HA ) 3.405 6.0 0.5 
assign ( resid 41 and name HE1 ) ( resid 74 and name HD# ) 4.407 6.0 0.5 
assign ( resid 50 and name HN ) ( resid 49 and name HB2 ) 3.408 6.0 0.5 
assign ( resid 29 and name HN ) ( resid 28 and name HB ) 3.411 6.0 0.5 
assign ( resid 42 and name HN ) ( resid 42 and name HB1 ) 3.414 6.0 0.5 
assign ( resid 44 and name HN ) ( resid 43 and name HB2 ) 3.414 6.0 0.5 
assign ( resid 40 and name HN ) ( resid 41 and name HN ) 3.416 6.0 0.5 
assign ( resid 76 and name HN ) ( resid 77 and name HN ) 3.416 6.0 0.5 
assign ( resid 25 and name HN ) ( resid 26 and name HN ) 3.417 6.0 0.5 
assign ( resid 89 and name HN ) ( resid 89 and name HB1 ) 3.420 6.0 0.5 
assign ( resid 98 and name HN ) ( resid 97 and name HB2 ) 3.420 6.0 0.5 
assign ( resid 30 and name HN ) ( resid 70 and name HN ) 3.427 6.0 0.5 
assign ( resid 25 and name HN ) ( resid 24 and name HN ) 3.427 6.0 0.5 
assign ( resid 98 and name HN ) ( resid 97 and name HB1 ) 3.428 6.0 0.5 
assign ( resid 40 and name HN ) ( resid 39 and name HN ) 3.430 6.0 0.5 
assign ( resid 5 and name HN ) ( resid 6 and name HN ) 3.435 6.0 0.5 
assign ( resid 26 and name HN ) ( resid 25 and name HN ) 3.435 6.0 0.5 
assign ( resid 99 and name HN ) ( resid 98 and name HB1 ) 3.435 6.0 0.5 
assign ( resid 73 and name HN ) ( resid 74 and name HN ) 3.440 6.0 0.5 
assign ( resid 49 and name HN ) ( resid 48 and name HB1 ) 3.441 6.0 0.5 
assign ( resid 23 and name HN ) ( resid 24 and name HN ) 3.443 6.0 0.5 
assign ( resid 102 and name HN ) ( resid 102 and name HB1 ) 3.443 6.0 0.5 
assign ( resid 89 and name HN ) ( resid 89 and name HA ) 3.445 6.0 0.5 
assign ( resid 99 and name HN ) ( resid 98 and name HB2 ) 3.447 6.0 0.5 
assign ( resid 28 and name HN ) ( resid 71 and name HA ) 3.447 6.0 0.5 
assign ( resid 76 and name HN ) ( resid 75 and name HN ) 3.448 6.0 0.5 
assign ( resid 69 and name HN ) ( resid 68 and name HB1 ) 3.448 6.0 0.5 
assign ( resid 70 and name HN ) ( resid 30 and name HN ) 3.452 6.0 0.5 
assign ( resid 20 and name HN ) ( resid 17 and name HN ) 3.455 6.0 0.5 
assign ( resid 78 and name HN ) ( resid 21 and name HB1 ) 3.458 6.0 0.5 
assign ( resid 101 and name HD22 ) ( resid 101 and name HB2 ) 3.458 6.0 0.5 
assign ( resid 100 and name HN ) ( resid 100 and name HB1 ) 3.459 6.0 0.5 
assign ( resid 62 and name HN ) ( resid 73 and name HN ) 3.460 6.0 0.5 
assign ( resid 107 and name HN ) ( resid 106 and name HN ) 3.461 6.0 0.5 
assign ( resid 29 and name HN ) ( resid 28 and name HN ) 3.466 6.0 0.5 
assign ( resid 48 and name HN ) ( resid 47 and name HN ) 3.467 6.0 0.5 
assign ( resid 106 and name HN ) ( resid 107 and name HN ) 3.469 6.0 0.5 
assign ( resid 89 and name HN ) ( resid 101 and name HA ) 3.470 6.0 0.5 
assign ( resid 48 and name HN ) ( resid 49 and name HN ) 3.473 6.0 0.5 
assign ( resid 75 and name HN ) ( resid 57 and name HA ) 3.473 6.0 0.5 
assign ( resid 10 and name HN ) ( resid 10 and name HA ) 3.477 6.0 0.5 
assign ( resid 80 and name HN ) ( resid 80 and name HG# ) 4.480 6.0 0.5 
assign ( resid 43 and name HN ) ( resid 47 and name HN ) 3.481 6.0 0.5 
assign ( resid 54 and name HN ) ( resid 58 and name HE21 ) 3.578 6.0 0.5 
assign ( resid 75 and name HN ) ( resid 74 and name HN ) 3.486 6.0 0.5 
assign ( resid 64 and name HN ) ( resid 65 and name HN ) 3.486 6.0 0.5 
assign ( resid 88 and name HN ) ( resid 88 and name HA ) 3.488 6.0 0.5 
assign ( resid 102 and name HN ) ( resid 101 and name HA ) 2.414 6.0 0.5 
assign ( resid 29 and name HN ) ( resid 30 and name HN ) 3.719 6.0 0.5 
assign ( resid 102 and name HN ) ( resid 103 and name HN ) 3.597 6.0 0.5 
assign ( resid 42 and name HN ) ( resid 42 and name HA ) 3.503 6.0 0.5 
assign ( resid 103 and name HN ) ( resid 102 and name HN ) 3.695 6.0 0.5 
assign ( resid 94 and name HN ) ( resid 94 and name HB2 ) 3.608 6.0 0.5 
assign ( resid 93 and name HN ) ( resid 93 and name HB ) 3.518 6.0 0.5 
assign ( resid 5 and name HN ) ( resid 5 and name HA# ) 3.805 6.0 0.5 
assign ( resid 56 and name HN ) ( resid 56 and name HA ) 3.642 6.0 0.5 
assign ( resid 30 and name HN ) ( resid 29 and name HN ) 3.572 6.0 0.5 
assign ( resid 103 and name HN ) ( resid 104 and name HN ) 3.698 6.0 0.5 
assign ( resid 97 and name HN ) ( resid 96 and name HN ) 3.643 6.0 0.5 
assign ( resid 49 and name HN ) ( resid 49 and name HB1 ) 2.993 6.0 0.5 
assign ( resid 57 and name HN ) ( resid 57 and name HB1 ) 2.687 6.0 0.5 
assign ( resid 35 and name HN ) ( resid 35 and name HB# ) 3.512 6.0 0.5 
assign ( resid 35 and name HN ) ( resid 35 and name HE# ) 4.691 6.0 0.5 
assign ( resid 45 and name HN ) ( resid 45 and name HA ) 4.077 6.0 0.5 
assign ( resid 45 and name HN ) ( resid 45 and name HB1 ) 3.932 6.0 0.5 
assign ( resid 45 and name HN ) ( resid 45 and name HB2 ) 4.010 6.0 0.5 
assign ( resid 94 and name HN ) ( resid 94 and name HA ) 4.273 6.0 0.5 
assign ( resid 94 and name HN ) ( resid 94 and name HB1 ) 3.515 6.0 0.5 
assign ( resid 18 and name HN ) ( resid 18 and name HG1# ) 3.638 6.0 0.5 
assign ( resid 53 and name HN ) ( resid 53 and name HG1# ) 3.747 6.0 0.5 
assign ( resid 10 and name HN ) ( resid 10 and name HB1 ) 3.488 6.0 0.5 
assign ( resid 78 and name HN ) ( resid 21 and name HB2 ) 3.580 6.0 0.5 
assign ( resid 73 and name HN ) ( resid 62 and name HN ) 3.578 6.0 0.5 
assign ( resid 71 and name HN ) ( resid 64 and name HN ) 3.566 6.0 0.5 
assign ( resid 104 and name HN ) ( resid 87 and name HN ) 3.641 6.0 0.5 
assign ( resid 104 and name HN ) ( resid 103 and name HN ) 3.803 6.0 0.5 
assign ( resid 98 and name HN ) ( resid 98 and name HA ) 3.386 6.0 0.5 
assign ( resid 80 and name HN ) ( resid 80 and name HA ) 3.971 6.0 0.5 
assign ( resid 12 and name HN ) ( resid 12 and name HA ) 2.983 6.0 0.5 
assign ( resid 101 and name HN ) ( resid 101 and name HA ) 3.607 6.0 0.5 
assign ( resid 91 and name HN ) ( resid 90 and name HA ) 2.684 6.0 0.5 
assign ( resid 43 and name HN ) ( resid 49 and name HN ) 3.616 6.0 0.5 
assign ( resid 33 and name HN ) ( resid 33 and name HA ) 3.579 6.0 0.5 
assign ( resid 41 and name HN ) ( resid 40 and name HN ) 3.527 6.0 0.5 
assign ( resid 6 and name HN ) ( resid 5 and name HN ) 3.637 6.0 0.5 
assign ( resid 8 and name HN ) ( resid 29 and name HN ) 3.395 6.0 0.5 
assign ( resid 7 and name HN ) ( resid 8 and name HN ) 3.694 6.0 0.5 
assign ( resid 13 and name HN ) ( resid 103 and name HN ) 3.408 6.0 0.5 
assign ( resid 103 and name HN ) ( resid 13 and name HN ) 3.556 6.0 0.5 
assign ( resid 49 and name HN ) ( resid 43 and name HN ) 3.596 6.0 0.5 
assign ( resid 49 and name HN ) ( resid 48 and name HN ) 3.735 6.0 0.5 
assign ( resid 52 and name HN ) ( resid 50 and name HN ) 3.653 6.0 0.5 
assign ( resid 52 and name HN ) ( resid 51 and name HA ) 2.942 6.0 0.5 
assign ( resid 57 and name HN ) ( resid 58 and name HN ) 3.033 6.0 0.5 
assign ( resid 75 and name HN ) ( resid 60 and name HN ) 3.512 6.0 0.5 
assign ( resid 65 and name HN ) ( resid 64 and name HN ) 3.770 6.0 0.5 
assign ( resid 71 and name HN ) ( resid 70 and name HN ) 3.333 6.0 0.5 
assign ( resid 70 and name HN ) ( resid 71 and name HN ) 3.817 6.0 0.5 
assign ( resid 72 and name HN ) ( resid 28 and name HN ) 3.599 6.0 0.5 
assign ( resid 76 and name HN ) ( resid 76 and name HA ) 2.942 6.0 0.5 
assign ( resid 84 and name HN ) ( resid 83 and name HA ) 2.955 6.0 0.5 
assign ( resid 89 and name HN ) ( resid 100 and name HN ) 3.251 6.0 0.5 
assign ( resid 91 and name HN ) ( resid 91 and name HA ) 2.983 6.0 0.5 
assign ( resid 87 and name HN ) ( resid 104 and name HN ) 3.631 6.0 0.5 
assign ( resid 105 and name HN ) ( resid 15 and name HA ) 2.780 6.0 0.5 
assign ( resid 105 and name HN ) ( resid 104 and name HN ) 3.496 6.0 0.5 
assign ( resid 106 and name HN ) ( resid 105 and name HN ) 4.137 6.0 0.5 
assign ( resid 106 and name HN ) ( resid 85 and name HN ) 4.195 6.0 0.5 
assign ( resid 85 and name HN ) ( resid 106 and name HN ) 3.702 6.0 0.5 
assign ( resid 105 and name HN ) ( resid 106 and name HN ) 3.686 6.0 0.5 
assign ( resid 106 and name HN ) ( resid 106 and name HA ) 2.838 6.0 0.5 
assign ( resid 69 and name HN ) ( resid 65 and name HA ) 3.631 6.0 0.5 
assign ( resid 22 and name HN ) ( resid 78 and name HN ) 3.547 6.0 0.5 
assign ( resid 78 and name HN ) ( resid 22 and name HN ) 3.468 6.0 0.5 
assign ( resid 92 and name HN ) ( resid 39 and name HA ) 2.579 6.0 0.5 
assign ( resid 88 and name HN ) ( resid 43 and name HA ) 3.652 6.0 0.5 
assign ( resid 43 and name HN ) ( resid 48 and name HA ) 3.535 6.0 0.5 
assign ( resid 104 and name HN ) ( resid 86 and name HA1 ) 3.627 6.0 0.5 
assign ( resid 105 and name HN ) ( resid 14 and name HN ) 3.751 6.0 0.5 
assign ( resid 13 and name HN ) ( resid 102 and name HA ) 3.684 6.0 0.5 
assign ( resid 9 and name HN ) ( resid 9 and name HB2 ) 3.202 6.0 0.5 
assign ( resid 80 and name HN ) ( resid 80 and name HB# ) 5.108 6.0 0.5 
assign ( resid 56 and name HN ) ( resid 56 and name HB1 ) 3.736 6.0 0.5 
assign ( resid 56 and name HN ) ( resid 56 and name HB2 ) 3.785 6.0 0.5 
assign ( resid 86 and name HN ) ( resid 87 and name HD# ) 5.619 6.0 0.5 
assign ( resid 86 and name HN ) ( resid 84 and name HG2# ) 4.620 6.0 0.5 
assign ( resid 95 and name HN ) ( resid 95 and name HB2 ) 3.180 6.0 0.5 
assign ( resid 93 and name HN ) ( resid 97 and name HD# ) 5.509 6.0 0.5 
assign ( resid 44 and name HN ) ( resid 87 and name HD# ) 5.589 6.0 0.5 
assign ( resid 72 and name HN ) ( resid 72 and name HE# ) 5.581 6.0 0.5 
assign ( resid 70 and name HN ) ( resid 70 and name HE# ) 5.639 6.0 0.5 
assign ( resid 42 and name HN ) ( resid 41 and name HB1 ) 3.652 6.0 0.5 
assign ( resid 42 and name HN ) ( resid 41 and name HB2 ) 3.516 6.0 0.5 
assign ( resid 94 and name HN ) ( resid 93 and name HB ) 3.771 6.0 0.5 
assign ( resid 41 and name HN ) ( resid 39 and name HG1# ) 4.562 6.0 0.5 
assign ( resid 10 and name HN ) ( resid 9 and name HB2 ) 3.588 6.0 0.5 
assign ( resid 21 and name HN ) ( resid 21 and name HB2 ) 2.894 6.0 0.5 
assign ( resid 96 and name HN ) ( resid 95 and name HB2 ) 3.368 6.0 0.5 
assign ( resid 98 and name HN ) ( resid 98 and name HB1 ) 3.671 6.0 0.5 
assign ( resid 101 and name HN ) ( resid 100 and name HB2 ) 3.979 6.0 0.5 
assign ( resid 107 and name HN ) ( resid 106 and name HB ) 3.414 6.0 0.5 
assign ( resid 38 and name HN ) ( resid 38 and name HG2# ) 3.686 6.0 0.5 
assign ( resid 19 and name HN ) ( resid 19 and name HA1 ) 2.762 6.0 0.5 
assign ( resid 24 and name HN ) ( resid 24 and name HB1 ) 3.070 6.0 0.5 
assign ( resid 25 and name HN ) ( resid 24 and name HB1 ) 3.421 6.0 0.5 
!!!!!!!!!!!!!!!!!!!ALIPHATICS!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
assign ( resid 63 and name HA ) ( resid 70 and name HA ) 2.8 6.0 0.5
assign ( resid 61 and name HA ) ( resid 72 and name HA ) 2.8 6.0 0.5
assign ( resid 57 and name HA ) ( resid 76 and name HA ) 2.8 6.0 0.5
assign ( resid 21 and name HA ) ( resid 77 and name HA ) 2.8 6.0 0.5
assign ( resid 23 and name HA ) ( resid 75 and name HA ) 2.8 6.0 0.5
assign ( resid 25 and name HA ) ( resid 73 and name HA ) 2.8 6.0 0.5
assign ( resid 27 and name HA ) ( resid 71 and name HA ) 2.8 6.0 0.5
assign ( resid 42 and name HA ) ( resid 48 and name HA ) 2.8 6.0 0.5
assign ( resid 43 and name HA ) ( resid 87 and name HA ) 2.8 6.0 0.5
assign ( resid 41 and name HA ) ( resid 89 and name HA ) 2.8 6.0 0.5
assign ( resid 39 and name HA ) ( resid 91 and name HA ) 2.8 6.0 0.5
assign ( resid 84 and name HA ) ( resid 105 and name HA ) 2.8 6.0 0.5
assign ( resid 90 and name HA ) ( resid 99 and name HA ) 2.8 6.0 0.5
assign ( resid 92 and name HA ) ( resid 97 and name HA ) 2.8 6.0 0.5
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
assign ( resid 87 and name HA ) ( resid 43 and name HA ) 3.448 6.0 0.5 
assign ( resid 74 and name HA ) ( resid 59 and name HA ) 3.580 6.0 0.5 
assign ( resid 36 and name HB2 ) ( resid 36 and name HD2 ) 3.631 6.0 0.5 
assign ( resid 76 and name HG11 ) ( resid 74 and name HB1 ) 3.361 6.0 0.5 
assign ( resid 77 and name HG2# ) ( resid 77 and name HB ) 3.515 6.0 0.5 
assign ( resid 96 and name HB1 ) ( resid 96 and name HG# ) 3.963 6.0 0.5 
assign ( resid 96 and name HB1 ) ( resid 6 and name HD1# ) 4.678 6.0 0.5 
assign ( resid 34 and name HD# ) ( resid 34 and name HB# ) 5.635 6.0 0.5 
assign ( resid 33 and name HD# ) ( resid 33 and name HB2 ) 4.507 6.0 0.5 
assign ( resid 96 and name HB2 ) ( resid 6 and name HD2# ) 4.837 6.0 0.5 
assign ( resid 17 and name HG2# ) ( resid 17 and name HB ) 3.499 6.0 0.5 
assign ( resid 34 and name HD# ) ( resid 34 and name HA ) 4.570 6.0 0.5 
assign ( resid 26 and name HB# ) ( resid 102 and name HD# ) 7.785 6.0 0.5 
assign ( resid 33 and name HD# ) ( resid 33 and name HA ) 4.609 6.0 0.5 
assign ( resid 53 and name HG2# ) ( resid 53 and name HB ) 3.635 6.0 0.5 
assign ( resid 74 and name HG ) ( resid 76 and name HG11 ) 3.542 6.0 0.5 
assign ( resid 76 and name HG2# ) ( resid 74 and name HB1 ) 3.835 6.0 0.5 
assign ( resid 76 and name HD1# ) ( resid 74 and name HD# ) 4.820 6.0 0.5 
assign ( resid 53 and name HG1# ) ( resid 53 and name HB ) 3.655 6.0 0.5 
assign ( resid 74 and name HD# ) ( resid 59 and name HD2# ) 5.663 6.0 0.5 
assign ( resid 91 and name HG2# ) ( resid 39 and name HG2# ) 4.678 6.0 0.5 
assign ( resid 6 and name HD1# ) ( resid 6 and name HB1 ) 3.716 6.0 0.5 
assign ( resid 53 and name HG2# ) ( resid 53 and name HG1# ) 3.905 6.0 0.5 
assign ( resid 53 and name HG2# ) ( resid 53 and name HA ) 3.723 6.0 0.5 
assign ( resid 36 and name HD1 ) ( resid 36 and name HD2 ) 2.730 6.0 0.5 
assign ( resid 53 and name HG1# ) ( resid 53 and name HG2# ) 4.121 6.0 0.5 
assign ( resid 53 and name HG1# ) ( resid 53 and name HA ) 3.925 6.0 0.5 
assign ( resid 34 and name HD# ) ( resid 34 and name HG ) 4.176 6.0 0.5 
assign ( resid 91 and name HG2# ) ( resid 6 and name HD1# ) 4.798 6.0 0.5 
assign ( resid 33 and name HD# ) ( resid 33 and name HB1 ) 5.335 6.0 0.5 
assign ( resid 36 and name HB1 ) ( resid 36 and name HG2 ) 3.145 6.0 0.5 
assign ( resid 36 and name HB1 ) ( resid 36 and name HG1 ) 2.796 6.0 0.5 
assign ( resid 36 and name HB2 ) ( resid 36 and name HG1 ) 3.112 6.0 0.5 
assign ( resid 36 and name HD2 ) ( resid 36 and name HD1 ) 2.768 6.0 0.5 
assign ( resid 77 and name HG2# ) ( resid 77 and name HA ) 3.786 6.0 0.5 
assign ( resid 39 and name HG2# ) ( resid 91 and name HG2# ) 4.852 6.0 0.5 
assign ( resid 91 and name HG1# ) ( resid 6 and name HD2# ) 4.799 6.0 0.5 
assign ( resid 36 and name HB2 ) ( resid 36 and name HB1 ) 2.818 6.0 0.5 
assign ( resid 33 and name HD# ) ( resid 93 and name HG2# ) 5.915 6.0 0.5 
assign ( resid 96 and name HB1 ) ( resid 96 and name HB2 ) 2.838 6.0 0.5 
assign ( resid 36 and name HD1 ) ( resid 35 and name HA ) 2.839 6.0 0.5 
assign ( resid 36 and name HB1 ) ( resid 36 and name HB2 ) 2.851 6.0 0.5 
assign ( resid 35 and name HA ) ( resid 36 and name HD1 ) 2.858 6.0 0.5 
assign ( resid 74 and name HD# ) ( resid 74 and name HB1 ) 4.855 6.0 0.5 
assign ( resid 96 and name HB2 ) ( resid 96 and name HB1 ) 2.873 6.0 0.5 
assign ( resid 96 and name HB2 ) ( resid 96 and name HG# ) 3.884 6.0 0.5 
assign ( resid 74 and name HD# ) ( resid 49 and name HD2# ) 5.921 6.0 0.5 
assign ( resid 49 and name HD2# ) ( resid 74 and name HD# ) 4.952 6.0 0.5 
assign ( resid 35 and name HA ) ( resid 36 and name HD2 ) 2.956 6.0 0.5 
assign ( resid 76 and name HD1# ) ( resid 76 and name HG12 ) 3.975 6.0 0.5 
assign ( resid 76 and name HB ) ( resid 74 and name HB1 ) 2.996 6.0 0.5 
assign ( resid 36 and name HD2 ) ( resid 35 and name HA ) 3.020 6.0 0.5 
assign ( resid 39 and name HG2# ) ( resid 39 and name HA ) 4.217 6.0 0.5 
assign ( resid 38 and name HG1# ) ( resid 91 and name HG2# ) 5.009 6.0 0.5 
assign ( resid 74 and name HD# ) ( resid 74 and name HA ) 5.073 6.0 0.5 
assign ( resid 91 and name HG2# ) ( resid 38 and name HG1# ) 5.019 6.0 0.5 
assign ( resid 6 and name HD1# ) ( resid 6 and name HB2 ) 4.027 6.0 0.5 
assign ( resid 76 and name HD1# ) ( resid 76 and name HG11 ) 4.121 6.0 0.5 
assign ( resid 83 and name HB1 ) ( resid 83 and name HB2 ) 3.075 6.0 0.5 
assign ( resid 91 and name HG2# ) ( resid 39 and name HG1# ) 5.154 6.0 0.5 
assign ( resid 6 and name HD1# ) ( resid 91 and name HG2# ) 5.203 6.0 0.5 
assign ( resid 83 and name HB2 ) ( resid 83 and name HB1 ) 3.195 6.0 0.5 
assign ( resid 74 and name HA ) ( resid 59 and name HD2# ) 4.216 6.0 0.5 
assign ( resid 74 and name HB2 ) ( resid 74 and name HD# ) 4.217 6.0 0.5 
assign ( resid 36 and name HD1 ) ( resid 36 and name HG2 ) 3.219 6.0 0.5 
assign ( resid 76 and name HA ) ( resid 57 and name HA ) 3.220 6.0 0.5 
assign ( resid 36 and name HB2 ) ( resid 36 and name HG2 ) 3.227 6.0 0.5 
assign ( resid 6 and name HD1# ) ( resid 28 and name HG1# ) 5.232 6.0 0.5 
assign ( resid 36 and name HD2 ) ( resid 36 and name HG1 ) 3.253 6.0 0.5 
assign ( resid 36 and name HB1 ) ( resid 36 and name HA ) 3.238 6.0 0.5 
assign ( resid 36 and name HD1 ) ( resid 36 and name HG1 ) 3.247 6.0 0.5 
assign ( resid 77 and name HG2# ) ( resid 21 and name HB1 ) 4.252 6.0 0.5 
assign ( resid 74 and name HB2 ) ( resid 74 and name HB1 ) 3.342 6.0 0.5 
assign ( resid 76 and name HG12 ) ( resid 74 and name HB1 ) 3.297 6.0 0.5 
assign ( resid 35 and name HA ) ( resid 35 and name HD# ) 4.319 6.0 0.5 
assign ( resid 74 and name HD# ) ( resid 59 and name HD1# ) 6.417 6.0 0.5 
assign ( resid 35 and name HA ) ( resid 35 and name HB# ) 4.348 6.0 0.5 
assign ( resid 76 and name HG2# ) ( resid 79 and name HA ) 4.335 6.0 0.5 
assign ( resid 36 and name HD2 ) ( resid 36 and name HG2 ) 3.337 6.0 0.5 
assign ( resid 74 and name HB1 ) ( resid 74 and name HB2 ) 3.406 6.0 0.5 
assign ( resid 74 and name HB1 ) ( resid 74 and name HD# ) 4.478 6.0 0.5 
assign ( resid 35 and name HA ) ( resid 35 and name HG# ) 4.423 6.0 0.5 
assign ( resid 96 and name HB1 ) ( resid 6 and name HD2# ) 4.580 6.0 0.5 
assign ( resid 76 and name HD1# ) ( resid 24 and name HE# ) 7.458 6.0 0.5 
assign ( resid 39 and name HG1# ) ( resid 91 and name HG2# ) 5.488 6.0 0.5 
assign ( resid 74 and name HD# ) ( resid 74 and name HB2 ) 5.499 6.0 0.5 
assign ( resid 77 and name HG2# ) ( resid 78 and name HB1 ) 4.504 6.0 0.5 
assign ( resid 83 and name HB1 ) ( resid 104 and name HD2# ) 4.541 6.0 0.5 
assign ( resid 91 and name HG1# ) ( resid 6 and name HB2 ) 4.535 6.0 0.5 
assign ( resid 36 and name HB2 ) ( resid 36 and name HA ) 3.574 6.0 0.5 
assign ( resid 39 and name HA ) ( resid 91 and name HG2# ) 4.609 6.0 0.5 
assign ( resid 39 and name HG2# ) ( resid 91 and name HB ) 4.571 6.0 0.5 
assign ( resid 43 and name HA ) ( resid 43 and name HG1 ) 3.575 6.0 0.5 
assign ( resid 83 and name HB1 ) ( resid 106 and name HG1# ) 4.579 6.0 0.5 
assign ( resid 83 and name HB2 ) ( resid 106 and name HG1# ) 4.605 6.0 0.5 
assign ( resid 43 and name HA ) ( resid 43 and name HG2 ) 3.638 6.0 0.5 
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    ASP   1           H        ASP   1 -17.481 -11.831   1.064
    2    HA   ASP   1           HA       ASP   1 -17.911  -9.476   0.485
    3   1HB   ASP   1          1HB       ASP   1 -16.340  -9.630  -1.591
    4   2HB   ASP   1          2HB       ASP   1 -15.768  -9.867   0.049
    5    H    ASP   2           H        ASP   2 -19.305  -8.184  -0.270
    6    HA   ASP   2           HA       ASP   2 -21.086  -8.823  -2.368
    7   1HB   ASP   2          1HB       ASP   2 -20.425  -6.459  -0.666
    8   2HB   ASP   2          2HB       ASP   2 -21.496  -6.272  -2.035
    9    HA   PRO   3           HA       PRO   3 -18.969  -6.991  -5.859
   10   1HB   PRO   3          1HB       PRO   3 -21.288  -5.389  -6.638
   11   2HB   PRO   3          2HB       PRO   3 -20.574  -6.783  -7.451
   12   1HG   PRO   3          1HG       PRO   3 -22.979  -6.898  -6.224
   13   2HG   PRO   3          2HG       PRO   3 -21.879  -8.286  -6.304
   14   1HD   PRO   3          1HD       PRO   3 -22.368  -6.390  -4.038
   15   2HD   PRO   3          2HD       PRO   3 -22.172  -8.155  -4.003
   16    H    ILE   4           H        ILE   4 -17.898  -5.751  -4.012
   17    HA   ILE   4           HA       ILE   4 -18.323  -2.867  -4.162
   18    HB   ILE   4           HB       ILE   4 -16.704  -4.710  -2.451
   19   1HG1  ILE   4          1HG1      ILE   4 -17.630  -3.213  -0.654
   20   2HG1  ILE   4          2HG1      ILE   4 -18.499  -2.334  -1.902
   21   1HG2  ILE   4          1HG2      ILE   4 -15.456  -2.810  -1.502
   22   2HG2  ILE   4          2HG2      ILE   4 -16.087  -1.770  -2.773
   23   3HG2  ILE   4          3HG2      ILE   4 -15.026  -3.122  -3.181
   24   1HD1  ILE   4          1HD1      ILE   4 -19.923  -3.927  -0.768
   25   2HD1  ILE   4          2HD1      ILE   4 -18.839  -5.237  -1.237
   26   3HD1  ILE   4          3HD1      ILE   4 -19.732  -4.346  -2.470
   27    H    GLY   5           H        GLY   5 -15.713  -5.215  -4.594
   28   1HA   GLY   5          1HA       GLY   5 -14.083  -5.250  -6.293
   29   2HA   GLY   5          2HA       GLY   5 -14.708  -3.705  -6.873
   30    H    LEU   6           H        LEU   6 -13.725  -4.849  -3.765
   31    HA   LEU   6           HA       LEU   6 -12.965  -2.425  -2.737
   32   1HB   LEU   6          1HB       LEU   6 -13.462  -4.770  -1.720
   33   2HB   LEU   6          2HB       LEU   6 -11.731  -4.995  -1.855
   34    HG   LEU   6           HG       LEU   6 -11.318  -3.210  -0.342
   35   1HD1  LEU   6          1HD1      LEU   6 -14.247  -2.725  -0.060
   36   2HD1  LEU   6          2HD1      LEU   6 -13.250  -1.794  -1.176
   37   3HD1  LEU   6          3HD1      LEU   6 -12.916  -1.750   0.556
   38   1HD2  LEU   6          1HD2      LEU   6 -12.385  -4.059   1.648
   39   2HD2  LEU   6          2HD2      LEU   6 -11.858  -5.370   0.593
   40   3HD2  LEU   6          3HD2      LEU   6 -13.558  -4.911   0.645
   41    H    PHE   7           H        PHE   7 -11.059  -4.871  -4.366
   42    HA   PHE   7           HA       PHE   7  -8.759  -3.106  -4.367
   43   1HB   PHE   7          1HB       PHE   7  -9.142  -5.929  -4.492
   44   2HB   PHE   7          2HB       PHE   7  -8.300  -5.406  -5.953
   45    HD1  PHE   7           HD1      PHE   7  -8.095  -4.017  -2.515
   46    HD2  PHE   7           HD2      PHE   7  -6.120  -6.107  -5.645
   47    HE1  PHE   7           HE1      PHE   7  -5.980  -3.871  -1.270
   48    HE2  PHE   7           HE2      PHE   7  -4.003  -5.975  -4.414
   49    HZ   PHE   7           HZ       PHE   7  -3.933  -4.852  -2.217
   50    H    VAL   8           H        VAL   8  -9.660  -1.497  -5.585
   51    HA   VAL   8           HA       VAL   8 -10.731  -1.854  -8.192
   52    HB   VAL   8           HB       VAL   8  -9.481   0.652  -7.045
   53   1HG1  VAL   8          1HG1      VAL   8 -11.606   0.289  -9.154
   54   2HG1  VAL   8          2HG1      VAL   8  -9.919   0.694  -9.462
   55   3HG1  VAL   8          3HG1      VAL   8 -10.949   1.827  -8.585
   56   1HG2  VAL   8          1HG2      VAL   8 -11.700   1.239  -6.230
   57   2HG2  VAL   8          2HG2      VAL   8 -11.157  -0.277  -5.502
   58   3HG2  VAL   8          3HG2      VAL   8 -12.337  -0.300  -6.813
   59    H    MET   9           H        MET   9  -7.600  -0.708  -6.995
   60    HA   MET   9           HA       MET   9  -6.313  -2.009  -9.260
   61   1HB   MET   9          1HB       MET   9  -6.565   0.381  -9.903
   62   2HB   MET   9          2HB       MET   9  -5.617   0.815  -8.488
   63   1HG   MET   9          1HG       MET   9  -4.221   0.824 -10.453
   64   2HG   MET   9          2HG       MET   9  -3.734  -0.467  -9.355
   65   1HE   MET   9          1HE       MET   9  -2.317  -1.596 -11.266
   66   2HE   MET   9          2HE       MET   9  -2.783  -0.340 -12.412
   67   3HE   MET   9          3HE       MET   9  -2.959  -2.040 -12.846
   68    H    ARG  10           H        ARG  10  -4.447  -2.965  -8.678
   69    HA   ARG  10           HA       ARG  10  -3.814  -2.791  -5.837
   70   1HB   ARG  10          1HB       ARG  10  -2.928  -5.049  -6.050
   71   2HB   ARG  10          2HB       ARG  10  -4.597  -4.972  -6.584
   72   1HG   ARG  10          1HG       ARG  10  -3.800  -4.912  -8.923
   73   2HG   ARG  10          2HG       ARG  10  -2.148  -5.113  -8.325
   74   1HD   ARG  10          1HD       ARG  10  -2.934  -7.206  -7.176
   75   2HD   ARG  10          2HD       ARG  10  -4.453  -7.033  -8.056
   76    HE   ARG  10           HE       ARG  10  -2.794  -7.000 -10.093
   77   1HH1  ARG  10          1HH1      ARG  10  -2.803  -9.100  -7.284
   78   2HH1  ARG  10          2HH1      ARG  10  -1.945 -10.382  -8.083
   79   1HH2  ARG  10          1HH2      ARG  10  -1.663  -8.698 -11.154
   80   2HH2  ARG  10          2HH2      ARG  10  -1.289 -10.152 -10.275
   81    HA   PRO  11           HA       PRO  11   0.151  -1.049  -6.834
   82   1HB   PRO  11          1HB       PRO  11   1.305  -1.642  -4.402
   83   2HB   PRO  11          2HB       PRO  11   0.321  -0.222  -4.714
   84   1HG   PRO  11          1HG       PRO  11  -0.398  -2.741  -3.384
   85   2HG   PRO  11          2HG       PRO  11  -0.948  -1.101  -3.040
   86   1HD   PRO  11          1HD       PRO  11  -2.465  -2.941  -4.344
   87   2HD   PRO  11          2HD       PRO  11  -2.601  -1.195  -4.624
   88    H    GLN  12           H        GLN  12   2.241  -1.808  -7.273
   89    HA   GLN  12           HA       GLN  12   2.496  -4.727  -7.298
   90   1HB   GLN  12          1HB       GLN  12   3.323  -2.704  -9.376
   91   2HB   GLN  12          2HB       GLN  12   3.594  -4.439  -9.475
   92   1HG   GLN  12          1HG       GLN  12   0.855  -3.277  -9.142
   93   2HG   GLN  12          2HG       GLN  12   1.592  -3.501 -10.732
   94   1HE2  GLN  12          1HE2      GLN  12   0.480  -5.180  -7.817
   95   2HE2  GLN  12          2HE2      GLN  12   0.285  -6.715  -8.585
   96    H    ASP  13           H        ASP  13   4.983  -5.254  -7.882
   97    HA   ASP  13           HA       ASP  13   6.438  -4.507  -5.677
   98   1HB   ASP  13          1HB       ASP  13   7.504  -5.762  -8.196
   99   2HB   ASP  13          2HB       ASP  13   7.979  -6.047  -6.540
  100    H    GLY  14           H        GLY  14   8.880  -4.560  -7.275
  101   1HA   GLY  14          1HA       GLY  14   9.518  -2.520  -8.856
  102   2HA   GLY  14          2HA       GLY  14   9.262  -1.697  -7.331
  103    H    GLU  15           H        GLU  15  11.542  -2.456  -9.126
  104    HA   GLU  15           HA       GLU  15  13.366  -3.397  -7.026
  105   1HB   GLU  15          1HB       GLU  15  13.668  -3.528 -10.034
  106   2HB   GLU  15          2HB       GLU  15  14.913  -3.997  -8.885
  107   1HG   GLU  15          1HG       GLU  15  13.429  -5.738  -8.010
  108   2HG   GLU  15          2HG       GLU  15  12.206  -5.276  -9.195
  109    H    VAL  16           H        VAL  16  14.597  -1.743  -6.190
  110    HA   VAL  16           HA       VAL  16  15.230   0.488  -7.880
  111    HB   VAL  16           HB       VAL  16  14.421   2.057  -6.401
  112   1HG1  VAL  16          1HG1      VAL  16  12.594   1.046  -7.582
  113   2HG1  VAL  16          2HG1      VAL  16  12.066   1.559  -5.980
  114   3HG1  VAL  16          3HG1      VAL  16  12.397  -0.145  -6.294
  115   1HG2  VAL  16          1HG2      VAL  16  13.614   1.585  -4.100
  116   2HG2  VAL  16          2HG2      VAL  16  15.329   1.246  -4.331
  117   3HG2  VAL  16          3HG2      VAL  16  14.159  -0.079  -4.303
  118    H    THR  17           H        THR  17  16.843   1.723  -6.838
  119    HA   THR  17           HA       THR  17  18.820   0.078  -5.478
  120    HB   THR  17           HB       THR  17  19.480   2.863  -6.105
  121    HG1  THR  17           HG1      THR  17  19.669   1.605  -8.456
  122   1HG2  THR  17          1HG2      THR  17  20.784   0.258  -6.885
  123   2HG2  THR  17          2HG2      THR  17  21.147   1.187  -5.430
  124   3HG2  THR  17          3HG2      THR  17  21.504   1.861  -7.021
  125    H    VAL  18           H        VAL  18  19.748   0.808  -3.461
  126    HA   VAL  18           HA       VAL  18  18.088   2.438  -1.880
  127    HB   VAL  18           HB       VAL  18  19.079   0.928  -0.557
  128   1HG1  VAL  18          1HG1      VAL  18  20.742   0.108  -2.123
  129   2HG1  VAL  18          2HG1      VAL  18  21.412   0.304  -0.501
  130   3HG1  VAL  18          3HG1      VAL  18  21.769   1.493  -1.756
  131   1HG2  VAL  18          1HG2      VAL  18  20.613   2.105   0.963
  132   2HG2  VAL  18          2HG2      VAL  18  19.225   3.081   0.488
  133   3HG2  VAL  18          3HG2      VAL  18  20.799   3.370  -0.253
  134    H    GLY  19           H        GLY  19  17.896   4.201  -2.282
  135   1HA   GLY  19          1HA       GLY  19  18.999   6.445  -1.735
  136   2HA   GLY  19          2HA       GLY  19  20.120   5.988  -3.015
  137    H    GLY  20           H        GLY  20  17.283   4.671  -4.058
  138   1HA   GLY  20          1HA       GLY  20  16.675   7.093  -5.563
  139   2HA   GLY  20          2HA       GLY  20  16.220   5.457  -5.982
  140    H    SER  21           H        SER  21  14.284   5.299  -5.892
  141    HA   SER  21           HA       SER  21  12.769   5.881  -3.581
  142   1HB   SER  21          1HB       SER  21  11.052   6.949  -5.076
  143   2HB   SER  21          2HB       SER  21  12.455   7.900  -4.681
  144    HG   SER  21           HG       SER  21  12.016   8.053  -6.895
  145    H    ILE  22           H        ILE  22  10.615   5.098  -3.849
  146    HA   ILE  22           HA       ILE  22  10.011   3.333  -5.980
  147    HB   ILE  22           HB       ILE  22  10.972   1.834  -4.380
  148   1HG1  ILE  22          1HG1      ILE  22   9.041   0.307  -4.089
  149   2HG1  ILE  22          2HG1      ILE  22   7.990   1.608  -4.616
  150   1HG2  ILE  22          1HG2      ILE  22   9.932   1.388  -2.207
  151   2HG2  ILE  22          2HG2      ILE  22   8.872   2.775  -2.462
  152   3HG2  ILE  22          3HG2      ILE  22  10.612   3.012  -2.305
  153   1HD1  ILE  22          1HD1      ILE  22   9.134   1.645  -6.778
  154   2HD1  ILE  22          2HD1      ILE  22   8.425   0.067  -6.430
  155   3HD1  ILE  22          3HD1      ILE  22  10.163   0.314  -6.246
  156    H    THR  23           H        THR  23   7.901   2.970  -6.095
  157    HA   THR  23           HA       THR  23   6.114   4.717  -4.615
  158    HB   THR  23           HB       THR  23   6.101   4.790  -7.623
  159    HG1  THR  23           HG1      THR  23   7.624   6.186  -5.793
  160   1HG2  THR  23          1HG2      THR  23   4.734   6.526  -5.560
  161   2HG2  THR  23          2HG2      THR  23   3.954   5.277  -6.529
  162   3HG2  THR  23          3HG2      THR  23   4.620   6.714  -7.308
  163    H    PHE  24           H        PHE  24   4.367   3.783  -4.162
  164    HA   PHE  24           HA       PHE  24   3.278   1.675  -5.884
  165   1HB   PHE  24          1HB       PHE  24   2.991   1.840  -2.878
  166   2HB   PHE  24          2HB       PHE  24   2.464   0.546  -3.929
  167    HD1  PHE  24           HD1      PHE  24   4.408  -0.561  -5.344
  168    HD2  PHE  24           HD2      PHE  24   4.926   1.561  -1.698
  169    HE1  PHE  24           HE1      PHE  24   6.526  -1.749  -4.961
  170    HE2  PHE  24           HE2      PHE  24   7.047   0.380  -1.309
  171    HZ   PHE  24           HZ       PHE  24   7.850  -1.278  -2.942
  172    H    SER  25           H        SER  25   1.037   1.692  -5.991
  173    HA   SER  25           HA       SER  25  -0.444   3.809  -4.698
  174   1HB   SER  25          1HB       SER  25  -1.210   3.236  -7.479
  175   2HB   SER  25          2HB       SER  25  -1.198   4.759  -6.612
  176    HG   SER  25           HG       SER  25   1.190   4.581  -6.800
  177    H    ALA  26           H        ALA  26  -2.177   3.031  -3.852
  178    HA   ALA  26           HA       ALA  26  -3.295   0.475  -4.793
  179   1HB   ALA  26          1HB       ALA  26  -3.869  -0.102  -2.497
  180   2HB   ALA  26          2HB       ALA  26  -3.200   1.428  -1.927
  181   3HB   ALA  26          3HB       ALA  26  -2.139   0.218  -2.617
  182    H    ARG  27           H        ARG  27  -5.309   0.624  -5.500
  183    HA   ARG  27           HA       ARG  27  -6.875   2.988  -4.702
  184   1HB   ARG  27          1HB       ARG  27  -7.204   1.263  -7.164
  185   2HB   ARG  27          2HB       ARG  27  -8.057   2.756  -6.813
  186   1HG   ARG  27          1HG       ARG  27  -5.873   3.945  -6.862
  187   2HG   ARG  27          2HG       ARG  27  -5.123   2.438  -7.389
  188   1HD   ARG  27          1HD       ARG  27  -5.496   3.514  -9.394
  189   2HD   ARG  27          2HD       ARG  27  -6.933   2.499  -9.254
  190    HE   ARG  27           HE       ARG  27  -7.486   4.989  -8.088
  191   1HH1  ARG  27          1HH1      ARG  27  -6.888   3.616 -11.255
  192   2HH1  ARG  27          2HH1      ARG  27  -7.746   4.863 -12.096
  193   1HH2  ARG  27          1HH2      ARG  27  -8.595   6.651  -9.193
  194   2HH2  ARG  27          2HH2      ARG  27  -8.712   6.600 -10.930
  195    H    VAL  28           H        VAL  28  -8.538   2.585  -3.364
  196    HA   VAL  28           HA       VAL  28  -9.642  -0.108  -3.279
  197    HB   VAL  28           HB       VAL  28  -9.321   1.718  -0.904
  198   1HG1  VAL  28          1HG1      VAL  28 -10.036  -1.209  -1.068
  199   2HG1  VAL  28          2HG1      VAL  28 -11.196   0.094  -0.832
  200   3HG1  VAL  28          3HG1      VAL  28  -9.961  -0.223   0.394
  201   1HG2  VAL  28          1HG2      VAL  28  -7.128   1.081  -1.595
  202   2HG2  VAL  28          2HG2      VAL  28  -7.626  -0.592  -1.830
  203   3HG2  VAL  28          3HG2      VAL  28  -7.557   0.085  -0.206
  204    H    ALA  29           H        ALA  29 -11.629  -0.243  -3.392
  205    HA   ALA  29           HA       ALA  29 -13.312   1.734  -4.314
  206   1HB   ALA  29          1HB       ALA  29 -15.026   0.060  -4.287
  207   2HB   ALA  29          2HB       ALA  29 -14.117  -0.905  -3.124
  208   3HB   ALA  29          3HB       ALA  29 -13.499  -0.689  -4.761
  209    H    GLY  30           H        GLY  30 -13.913   3.376  -3.179
  210   1HA   GLY  30          1HA       GLY  30 -14.688   3.287  -0.384
  211   2HA   GLY  30          2HA       GLY  30 -14.680   4.671  -1.432
  212    H    ALA  31           H        ALA  31 -16.201   1.772  -2.126
  213    HA   ALA  31           HA       ALA  31 -18.687   2.537  -2.932
  214   1HB   ALA  31          1HB       ALA  31 -19.439   0.269  -2.479
  215   2HB   ALA  31          2HB       ALA  31 -18.035   0.003  -1.445
  216   3HB   ALA  31          3HB       ALA  31 -17.820   0.269  -3.172
  217    H    SER  32           H        SER  32 -20.762   1.621  -1.852
  218    HA   SER  32           HA       SER  32 -21.183   2.877   0.709
  219   1HB   SER  32          1HB       SER  32 -22.907   2.823  -1.150
  220   2HB   SER  32          2HB       SER  32 -23.074   1.093  -0.856
  221    HG   SER  32           HG       SER  32 -23.638   3.225   0.931
  222    H    LEU  33           H        LEU  33 -21.106   1.856   2.625
  223    HA   LEU  33           HA       LEU  33 -21.152  -0.963   2.883
  224   1HB   LEU  33          1HB       LEU  33 -18.866  -1.021   3.941
  225   2HB   LEU  33          2HB       LEU  33 -18.946  -1.034   2.207
  226    HG   LEU  33           HG       LEU  33 -17.282   0.502   3.815
  227   1HD1  LEU  33          1HD1      LEU  33 -16.819  -0.272   1.583
  228   2HD1  LEU  33          2HD1      LEU  33 -16.540   1.465   1.707
  229   3HD1  LEU  33          3HD1      LEU  33 -17.997   0.861   0.917
  230   1HD2  LEU  33          1HD2      LEU  33 -17.757   2.766   3.577
  231   2HD2  LEU  33          2HD2      LEU  33 -19.276   2.067   4.137
  232   3HD2  LEU  33          3HD2      LEU  33 -19.062   2.479   2.432
  233    H    LEU  34           H        LEU  34 -20.352  -1.530   5.217
  234    HA   LEU  34           HA       LEU  34 -22.002  -0.245   7.068
  235   1HB   LEU  34          1HB       LEU  34 -20.966  -2.549   7.210
  236   2HB   LEU  34          2HB       LEU  34 -19.488  -1.757   7.729
  237    HG   LEU  34           HG       LEU  34 -20.836  -0.732   9.597
  238   1HD1  LEU  34          1HD1      LEU  34 -22.843  -2.784   8.684
  239   2HD1  LEU  34          2HD1      LEU  34 -23.059  -1.034   8.732
  240   3HD1  LEU  34          3HD1      LEU  34 -22.896  -1.945  10.233
  241   1HD2  LEU  34          1HD2      LEU  34 -19.288  -2.595   9.931
  242   2HD2  LEU  34          2HD2      LEU  34 -20.566  -3.737   9.517
  243   3HD2  LEU  34          3HD2      LEU  34 -20.701  -2.753  10.975
  244    H    LYS  35           H        LYS  35 -18.499  -0.102   6.676
  245    HA   LYS  35           HA       LYS  35 -18.566   2.737   7.070
  246   1HB   LYS  35          1HB       LYS  35 -16.602   2.595   8.712
  247   2HB   LYS  35          2HB       LYS  35 -18.198   2.233   9.345
  248   1HG   LYS  35          1HG       LYS  35 -16.857   0.600  10.290
  249   2HG   LYS  35          2HG       LYS  35 -17.588  -0.226   8.912
  250   1HD   LYS  35          1HD       LYS  35 -15.563   0.135   7.609
  251   2HD   LYS  35          2HD       LYS  35 -14.834   1.011   8.957
  252   1HE   LYS  35          1HE       LYS  35 -15.699  -1.881   8.998
  253   2HE   LYS  35          2HE       LYS  35 -14.040  -1.307   8.832
  254   1HZ   LYS  35          1HZ       LYS  35 -14.517  -1.941  11.105
  255   2HZ   LYS  35          2HZ       LYS  35 -15.811  -0.848  11.176
  256   3HZ   LYS  35          3HZ       LYS  35 -14.224  -0.274  11.018
  257    HA   PRO  36           HA       PRO  36 -15.829   2.997   3.713
  258   1HB   PRO  36          1HB       PRO  36 -13.963   4.391   5.603
  259   2HB   PRO  36          2HB       PRO  36 -14.443   4.847   3.963
  260   1HG   PRO  36          1HG       PRO  36 -15.541   6.051   6.062
  261   2HG   PRO  36          2HG       PRO  36 -16.527   5.623   4.651
  262   1HD   PRO  36          1HD       PRO  36 -16.423   4.370   7.341
  263   2HD   PRO  36          2HD       PRO  36 -17.775   4.482   6.197
  264    HA   PRO  37           HA       PRO  37 -13.194  -0.538   3.968
  265   1HB   PRO  37          1HB       PRO  37 -11.199   0.502   2.265
  266   2HB   PRO  37          2HB       PRO  37 -12.463  -0.657   1.873
  267   1HG   PRO  37          1HG       PRO  37 -12.322   2.197   1.242
  268   2HG   PRO  37          2HG       PRO  37 -13.355   0.932   0.546
  269   1HD   PRO  37          1HD       PRO  37 -14.246   2.933   2.200
  270   2HD   PRO  37          2HD       PRO  37 -15.061   1.365   1.940
  271    H    VAL  38           H        VAL  38 -11.728  -1.082   5.323
  272    HA   VAL  38           HA       VAL  38  -9.806   0.858   6.338
  273    HB   VAL  38           HB       VAL  38 -10.107  -1.839   7.511
  274   1HG1  VAL  38          1HG1      VAL  38  -9.442  -0.690   9.570
  275   2HG1  VAL  38          2HG1      VAL  38  -9.424   0.834   8.686
  276   3HG1  VAL  38          3HG1      VAL  38  -8.292  -0.447   8.256
  277   1HG2  VAL  38          1HG2      VAL  38 -12.392  -1.129   7.454
  278   2HG2  VAL  38          2HG2      VAL  38 -11.951   0.446   8.109
  279   3HG2  VAL  38          3HG2      VAL  38 -11.799  -0.997   9.110
  280    H    VAL  39           H        VAL  39  -8.217   0.717   5.146
  281    HA   VAL  39           HA       VAL  39  -7.179  -1.821   4.194
  282    HB   VAL  39           HB       VAL  39  -6.139   0.779   3.213
  283   1HG1  VAL  39          1HG1      VAL  39  -5.013  -1.211   2.530
  284   2HG1  VAL  39          2HG1      VAL  39  -5.822  -0.496   1.134
  285   3HG1  VAL  39          3HG1      VAL  39  -6.520  -1.906   1.932
  286   1HG2  VAL  39          1HG2      VAL  39  -7.813   1.014   1.508
  287   2HG2  VAL  39          2HG2      VAL  39  -8.605   0.997   3.081
  288   3HG2  VAL  39          3HG2      VAL  39  -8.640  -0.441   2.061
  289    H    LYS  40           H        LYS  40  -5.696  -2.427   5.496
  290    HA   LYS  40           HA       LYS  40  -3.830  -0.556   6.616
  291   1HB   LYS  40          1HB       LYS  40  -3.098  -2.403   8.049
  292   2HB   LYS  40          2HB       LYS  40  -4.770  -1.981   8.281
  293   1HG   LYS  40          1HG       LYS  40  -5.000  -4.222   8.249
  294   2HG   LYS  40          2HG       LYS  40  -5.069  -3.936   6.511
  295   1HD   LYS  40          1HD       LYS  40  -2.838  -4.640   6.183
  296   2HD   LYS  40          2HD       LYS  40  -2.457  -4.494   7.905
  297   1HE   LYS  40          1HE       LYS  40  -4.095  -6.341   8.335
  298   2HE   LYS  40          2HE       LYS  40  -4.237  -6.541   6.591
  299   1HZ   LYS  40          1HZ       LYS  40  -2.630  -8.045   7.824
  300   2HZ   LYS  40          2HZ       LYS  40  -1.617  -6.701   7.954
  301   3HZ   LYS  40          3HZ       LYS  40  -2.045  -7.294   6.424
  302    H    TRP  41           H        TRP  41  -2.125  -0.319   5.895
  303    HA   TRP  41           HA       TRP  41  -0.941  -1.983   3.888
  304   1HB   TRP  41          1HB       TRP  41  -0.178   0.604   5.197
  305   2HB   TRP  41          2HB       TRP  41   0.863  -0.219   4.035
  306    HD1  TRP  41           HD1      TRP  41  -2.458   1.652   4.282
  307    HE1  TRP  41           HE1      TRP  41  -3.084   2.391   1.857
  308    HE3  TRP  41           HE3      TRP  41   1.022  -0.995   1.683
  309    HZ2  TRP  41           HZ2      TRP  41  -2.262   1.808  -0.761
  310    HZ3  TRP  41           HZ3      TRP  41   1.026  -0.888  -0.771
  311    HH2  TRP  41           HH2      TRP  41  -0.598   0.487  -1.956
  312    H    PHE  42           H        PHE  42   1.030  -2.838   3.967
  313    HA   PHE  42           HA       PHE  42   2.456  -2.988   6.509
  314   1HB   PHE  42          1HB       PHE  42   1.190  -5.190   5.961
  315   2HB   PHE  42          2HB       PHE  42   2.303  -5.337   4.607
  316    HD1  PHE  42           HD1      PHE  42   4.631  -5.914   4.955
  317    HD2  PHE  42           HD2      PHE  42   1.988  -5.414   8.257
  318    HE1  PHE  42           HE1      PHE  42   6.301  -6.972   6.443
  319    HE2  PHE  42           HE2      PHE  42   3.641  -6.469   9.740
  320    HZ   PHE  42           HZ       PHE  42   5.792  -7.250   8.837
  321    H    LYS  43           H        LYS  43   4.636  -2.742   6.146
  322    HA   LYS  43           HA       LYS  43   5.193  -1.816   3.420
  323   1HB   LYS  43          1HB       LYS  43   5.472  -0.100   5.200
  324   2HB   LYS  43          2HB       LYS  43   6.589  -1.163   6.061
  325   1HG   LYS  43          1HG       LYS  43   8.105  -1.020   4.093
  326   2HG   LYS  43          2HG       LYS  43   7.009   0.174   3.400
  327   1HD   LYS  43          1HD       LYS  43   7.351   1.580   5.405
  328   2HD   LYS  43          2HD       LYS  43   8.541   0.405   5.979
  329   1HE   LYS  43          1HE       LYS  43   8.652   2.056   3.476
  330   2HE   LYS  43          2HE       LYS  43   9.725   2.165   4.871
  331   1HZ   LYS  43          1HZ       LYS  43  10.908   0.963   3.276
  332   2HZ   LYS  43          2HZ       LYS  43   9.566   0.047   2.811
  333   3HZ   LYS  43          3HZ       LYS  43  10.306  -0.237   4.309
  334    H    GLY  44           H        GLY  44   7.511  -2.273   2.805
  335   1HA   GLY  44          1HA       GLY  44   8.626  -4.383   2.199
  336   2HA   GLY  44          2HA       GLY  44   9.626  -3.296   3.106
  337    H    LYS  45           H        LYS  45  10.883  -5.332   3.473
  338    HA   LYS  45           HA       LYS  45   9.977  -7.806   4.065
  339   1HB   LYS  45          1HB       LYS  45  12.449  -6.394   4.264
  340   2HB   LYS  45          2HB       LYS  45  12.304  -7.470   5.644
  341   1HG   LYS  45          1HG       LYS  45  11.847  -9.334   4.069
  342   2HG   LYS  45          2HG       LYS  45  12.190  -8.220   2.741
  343   1HD   LYS  45          1HD       LYS  45  14.160  -9.570   3.325
  344   2HD   LYS  45          2HD       LYS  45  14.434  -7.848   3.598
  345   1HE   LYS  45          1HE       LYS  45  15.320  -9.215   5.433
  346   2HE   LYS  45          2HE       LYS  45  14.037  -8.136   5.976
  347   1HZ   LYS  45          1HZ       LYS  45  13.778 -10.345   6.924
  348   2HZ   LYS  45          2HZ       LYS  45  13.735 -11.033   5.376
  349   3HZ   LYS  45          3HZ       LYS  45  12.492 -10.004   5.879
  350    H    TRP  46           H        TRP  46   9.542  -5.314   6.409
  351    HA   TRP  46           HA       TRP  46   8.655  -7.231   8.365
  352   1HB   TRP  46          1HB       TRP  46  10.150  -6.084  10.080
  353   2HB   TRP  46          2HB       TRP  46  10.868  -7.305   9.045
  354    HD1  TRP  46           HD1      TRP  46  12.396  -6.341   6.988
  355    HE1  TRP  46           HE1      TRP  46  13.807  -4.193   6.821
  356    HE3  TRP  46           HE3      TRP  46  10.316  -3.756  10.852
  357    HZ2  TRP  46           HZ2      TRP  46  13.985  -1.697   8.179
  358    HZ3  TRP  46           HZ3      TRP  46  11.138  -1.500  11.355
  359    HH2  TRP  46           HH2      TRP  46  12.921  -0.493  10.049
  360    H    VAL  47           H        VAL  47   8.260  -4.264   7.018
  361    HA   VAL  47           HA       VAL  47   8.075  -2.743   9.383
  362    HB   VAL  47           HB       VAL  47   7.670  -1.208   7.010
  363   1HG1  VAL  47          1HG1      VAL  47   9.934  -1.318   8.965
  364   2HG1  VAL  47          2HG1      VAL  47   8.442  -0.401   9.173
  365   3HG1  VAL  47          3HG1      VAL  47   9.564   0.021   7.879
  366   1HG2  VAL  47          1HG2      VAL  47  10.166  -2.904   6.981
  367   2HG2  VAL  47          2HG2      VAL  47   9.910  -1.459   5.998
  368   3HG2  VAL  47          3HG2      VAL  47   8.889  -2.874   5.760
  369    H    ASP  48           H        ASP  48   6.557  -1.252   9.501
  370    HA   ASP  48           HA       ASP  48   3.933  -1.734   8.421
  371   1HB   ASP  48          1HB       ASP  48   3.239  -0.359  10.355
  372   2HB   ASP  48          2HB       ASP  48   4.001  -1.847  10.862
  373    H    LEU  49           H        LEU  49   2.915   0.213   7.624
  374    HA   LEU  49           HA       LEU  49   4.728   2.437   7.196
  375   1HB   LEU  49          1HB       LEU  49   1.961   1.967   6.122
  376   2HB   LEU  49          2HB       LEU  49   2.945   3.383   5.806
  377    HG   LEU  49           HG       LEU  49   4.641   1.636   4.846
  378   1HD1  LEU  49          1HD1      LEU  49   3.650  -0.235   3.807
  379   2HD1  LEU  49          2HD1      LEU  49   2.029   0.253   4.303
  380   3HD1  LEU  49          3HD1      LEU  49   3.192  -0.317   5.511
  381   1HD2  LEU  49          1HD2      LEU  49   2.114   2.288   3.397
  382   2HD2  LEU  49          2HD2      LEU  49   3.725   2.039   2.709
  383   3HD2  LEU  49          3HD2      LEU  49   3.402   3.461   3.714
  384    H    SER  50           H        SER  50   2.090   1.627   9.193
  385    HA   SER  50           HA       SER  50   0.660   3.998   9.165
  386   1HB   SER  50          1HB       SER  50  -0.241   1.821   9.961
  387   2HB   SER  50          2HB       SER  50   0.817   1.919  11.366
  388    HG   SER  50           HG       SER  50  -0.532   3.239  12.277
  389    H    SER  51           H        SER  51   3.606   3.082  10.620
  390    HA   SER  51           HA       SER  51   3.353   5.237  12.469
  391   1HB   SER  51          1HB       SER  51   4.083   2.983  13.287
  392   2HB   SER  51          2HB       SER  51   5.579   3.236  12.407
  393    HG   SER  51           HG       SER  51   4.589   4.659  14.646
  394    H    LYS  52           H        LYS  52   5.081   4.190   9.757
  395    HA   LYS  52           HA       LYS  52   7.284   6.000  10.131
  396   1HB   LYS  52          1HB       LYS  52   7.226   4.566   7.624
  397   2HB   LYS  52          2HB       LYS  52   8.452   4.564   8.878
  398   1HG   LYS  52          1HG       LYS  52   6.020   2.834   8.661
  399   2HG   LYS  52          2HG       LYS  52   7.699   2.348   8.500
  400   1HD   LYS  52          1HD       LYS  52   6.961   3.577  11.076
  401   2HD   LYS  52          2HD       LYS  52   6.225   2.004  10.732
  402   1HE   LYS  52          1HE       LYS  52   8.625   1.263  10.162
  403   2HE   LYS  52          2HE       LYS  52   9.126   2.728  11.014
  404   1HZ   LYS  52          1HZ       LYS  52   7.434   0.556  12.153
  405   2HZ   LYS  52          2HZ       LYS  52   7.932   1.959  12.974
  406   3HZ   LYS  52          3HZ       LYS  52   9.078   0.813  12.492
  407    H    VAL  53           H        VAL  53   4.618   5.542   8.038
  408    HA   VAL  53           HA       VAL  53   4.716   7.144   5.981
  409    HB   VAL  53           HB       VAL  53   2.487   6.851   7.996
  410   1HG1  VAL  53          1HG1      VAL  53   1.941   8.906   6.922
  411   2HG1  VAL  53          2HG1      VAL  53   0.987   7.645   6.121
  412   3HG1  VAL  53          3HG1      VAL  53   2.438   8.289   5.346
  413   1HG2  VAL  53          1HG2      VAL  53   3.169   4.876   6.766
  414   2HG2  VAL  53          2HG2      VAL  53   2.901   5.731   5.247
  415   3HG2  VAL  53          3HG2      VAL  53   1.543   5.396   6.321
  416    H    GLY  54           H        GLY  54   6.035   8.707   6.116
  417   1HA   GLY  54          1HA       GLY  54   4.996  11.237   7.096
  418   2HA   GLY  54          2HA       GLY  54   6.450  10.712   7.928
  419    H    GLN  55           H        GLN  55   8.427  10.642   6.770
  420    HA   GLN  55           HA       GLN  55   8.410  12.811   4.817
  421   1HB   GLN  55          1HB       GLN  55  10.654  11.657   6.469
  422   2HB   GLN  55          2HB       GLN  55  10.814  13.027   5.376
  423   1HG   GLN  55          1HG       GLN  55   9.119  14.235   6.723
  424   2HG   GLN  55          2HG       GLN  55   9.106  12.880   7.849
  425   1HE2  GLN  55          1HE2      GLN  55  11.991  12.434   7.551
  426   2HE2  GLN  55          2HE2      GLN  55  12.754  13.701   8.456
  427    H    HIS  56           H        HIS  56   9.811   9.541   5.171
  428    HA   HIS  56           HA       HIS  56  10.763   9.740   2.407
  429   1HB   HIS  56          1HB       HIS  56  12.136   7.856   2.808
  430   2HB   HIS  56          2HB       HIS  56  12.251   8.860   4.241
  431    HD1  HIS  56           HD1      HIS  56  11.033   5.572   3.039
  432    HD2  HIS  56           HD2      HIS  56  11.218   7.714   6.587
  433    HE1  HIS  56           HE1      HIS  56  10.421   3.930   4.840
  434    HE2  HIS  56           HE2      HIS  56  10.867   5.182   6.995
  435    H    LEU  57           H        LEU  57   8.597   7.929   4.377
  436    HA   LEU  57           HA       LEU  57   7.314   6.807   1.985
  437   1HB   LEU  57          1HB       LEU  57   8.069   5.012   3.364
  438   2HB   LEU  57          2HB       LEU  57   7.611   5.800   4.834
  439    HG   LEU  57           HG       LEU  57   6.335   3.705   3.459
  440   1HD1  LEU  57          1HD1      LEU  57   4.779   3.855   5.349
  441   2HD1  LEU  57          2HD1      LEU  57   5.522   5.389   5.800
  442   3HD1  LEU  57          3HD1      LEU  57   6.481   3.908   5.807
  443   1HD2  LEU  57          1HD2      LEU  57   5.149   5.286   2.041
  444   2HD2  LEU  57          2HD2      LEU  57   4.583   6.162   3.462
  445   3HD2  LEU  57          3HD2      LEU  57   4.049   4.508   3.178
  446    H    GLN  58           H        GLN  58   5.898   8.435   1.602
  447    HA   GLN  58           HA       GLN  58   4.025   9.121   3.681
  448   1HB   GLN  58          1HB       GLN  58   4.042  10.026   0.795
  449   2HB   GLN  58          2HB       GLN  58   3.158  10.744   2.132
  450   1HG   GLN  58          1HG       GLN  58   4.843  12.213   1.965
  451   2HG   GLN  58          2HG       GLN  58   5.590  11.098   3.083
  452   1HE2  GLN  58          1HE2      GLN  58   7.335   9.920   2.415
  453   2HE2  GLN  58          2HE2      GLN  58   8.144  10.188   0.911
  454    H    LEU  59           H        LEU  59   2.581   7.674   3.895
  455    HA   LEU  59           HA       LEU  59   1.439   6.262   1.615
  456   1HB   LEU  59          1HB       LEU  59   2.189   5.020   3.763
  457   2HB   LEU  59          2HB       LEU  59   0.890   5.832   4.592
  458    HG   LEU  59           HG       LEU  59   0.776   3.570   2.642
  459   1HD1  LEU  59          1HD1      LEU  59  -0.127   4.262   5.398
  460   2HD1  LEU  59          2HD1      LEU  59   0.864   2.898   4.834
  461   3HD1  LEU  59          3HD1      LEU  59  -0.875   2.929   4.509
  462   1HD2  LEU  59          1HD2      LEU  59  -1.664   3.863   2.501
  463   2HD2  LEU  59          2HD2      LEU  59  -0.780   5.159   1.685
  464   3HD2  LEU  59          3HD2      LEU  59  -1.507   5.442   3.271
  465    H    HIS  60           H        HIS  60   0.310   7.882   0.757
  466    HA   HIS  60           HA       HIS  60  -1.362   9.646   2.247
  467   1HB   HIS  60          1HB       HIS  60  -0.703   9.396  -0.666
  468   2HB   HIS  60          2HB       HIS  60  -1.933  10.477  -0.082
  469    HD1  HIS  60           HD1      HIS  60   0.004  11.984  -1.488
  470    HD2  HIS  60           HD2      HIS  60   0.722  10.874   2.452
  471    HE1  HIS  60           HE1      HIS  60   1.753  13.577  -0.647
  472    HE2  HIS  60           HE2      HIS  60   2.028  13.012   1.792
  473    H    ASP  61           H        ASP  61  -3.421  10.022   1.510
  474    HA   ASP  61           HA       ASP  61  -4.889   7.807   0.422
  475   1HB   ASP  61          1HB       ASP  61  -6.769   8.448   1.940
  476   2HB   ASP  61          2HB       ASP  61  -5.464   7.554   2.671
  477    H    SER  62           H        SER  62  -5.619   8.438  -1.260
  478    HA   SER  62           HA       SER  62  -6.735  11.111  -1.618
  479   1HB   SER  62          1HB       SER  62  -6.709   9.056  -3.785
  480   2HB   SER  62          2HB       SER  62  -6.661  10.807  -3.923
  481    HG   SER  62           HG       SER  62  -4.560   9.184  -2.918
  482    H    TYR  63           H        TYR  63  -8.898  11.316  -2.355
  483    HA   TYR  63           HA       TYR  63 -10.566   9.033  -1.794
  484   1HB   TYR  63          1HB       TYR  63 -10.484   9.885   0.336
  485   2HB   TYR  63          2HB       TYR  63 -10.501  11.556  -0.196
  486    HD1  TYR  63           HD1      TYR  63 -12.387  12.706   0.389
  487    HD2  TYR  63           HD2      TYR  63 -12.759   8.570  -0.515
  488    HE1  TYR  63           HE1      TYR  63 -14.792  12.831   0.856
  489    HE2  TYR  63           HE2      TYR  63 -15.172   8.684  -0.050
  490    HH   TYR  63           HH       TYR  63 -16.865  11.593   0.233
  491    H    ASP  64           H        ASP  64 -11.286   8.871  -3.684
  492    HA   ASP  64           HA       ASP  64 -12.774  11.083  -4.873
  493   1HB   ASP  64          1HB       ASP  64 -11.934   8.484  -6.086
  494   2HB   ASP  64          2HB       ASP  64 -12.618   9.844  -6.903
  495    H    ARG  65           H        ARG  65 -14.761  10.923  -4.124
  496    HA   ARG  65           HA       ARG  65 -16.097   8.515  -3.439
  497   1HB   ARG  65          1HB       ARG  65 -16.519  11.249  -3.084
  498   2HB   ARG  65          2HB       ARG  65 -17.866  10.715  -4.080
  499   1HG   ARG  65          1HG       ARG  65 -17.054   9.527  -1.449
  500   2HG   ARG  65          2HG       ARG  65 -18.396  10.645  -1.709
  501   1HD   ARG  65          1HD       ARG  65 -19.172   8.885  -3.455
  502   2HD   ARG  65          2HD       ARG  65 -18.114   7.790  -2.561
  503    HE   ARG  65           HE       ARG  65 -20.050   9.314  -0.996
  504   1HH1  ARG  65          1HH1      ARG  65 -19.236   6.276  -2.530
  505   2HH1  ARG  65          2HH1      ARG  65 -20.359   5.356  -1.583
  506   1HH2  ARG  65          1HH2      ARG  65 -21.561   8.119   0.215
  507   2HH2  ARG  65          2HH2      ARG  65 -21.700   6.402  -0.024
  508    H    ALA  66           H        ALA  66 -16.253  10.717  -6.134
  509    HA   ALA  66           HA       ALA  66 -18.276   9.453  -7.598
  510   1HB   ALA  66          1HB       ALA  66 -17.579  11.771  -7.992
  511   2HB   ALA  66          2HB       ALA  66 -17.560  10.818  -9.475
  512   3HB   ALA  66          3HB       ALA  66 -16.047  11.188  -8.645
  513    H    SER  67           H        SER  67 -14.875   8.906  -7.374
  514    HA   SER  67           HA       SER  67 -14.915   6.987  -9.555
  515   1HB   SER  67          1HB       SER  67 -12.643   7.694  -7.684
  516   2HB   SER  67          2HB       SER  67 -12.520   6.773  -9.182
  517    HG   SER  67           HG       SER  67 -11.940   9.070  -9.291
  518    H    LYS  68           H        LYS  68 -15.375   7.190  -6.214
  519    HA   LYS  68           HA       LYS  68 -15.692   5.693  -4.533
  520   1HB   LYS  68          1HB       LYS  68 -17.178   4.630  -6.311
  521   2HB   LYS  68          2HB       LYS  68 -15.822   3.574  -6.659
  522   1HG   LYS  68          1HG       LYS  68 -15.875   2.779  -4.317
  523   2HG   LYS  68          2HG       LYS  68 -17.298   3.775  -4.044
  524   1HD   LYS  68          1HD       LYS  68 -18.532   2.055  -4.712
  525   2HD   LYS  68          2HD       LYS  68 -17.873   2.284  -6.337
  526   1HE   LYS  68          1HE       LYS  68 -16.267   0.792  -4.302
  527   2HE   LYS  68          2HE       LYS  68 -17.641  -0.018  -5.079
  528   1HZ   LYS  68          1HZ       LYS  68 -15.648  -0.464  -6.331
  529   2HZ   LYS  68          2HZ       LYS  68 -15.309   1.190  -6.476
  530   3HZ   LYS  68          3HZ       LYS  68 -16.660   0.529  -7.256
  531    H    VAL  69           H        VAL  69 -13.168   6.417  -5.207
  532    HA   VAL  69           HA       VAL  69 -11.636   4.011  -4.558
  533    HB   VAL  69           HB       VAL  69 -10.585   6.162  -6.357
  534   1HG1  VAL  69          1HG1      VAL  69  -8.797   4.561  -6.795
  535   2HG1  VAL  69          2HG1      VAL  69  -9.537   3.450  -5.641
  536   3HG1  VAL  69          3HG1      VAL  69  -8.904   5.001  -5.090
  537   1HG2  VAL  69          1HG2      VAL  69 -12.342   5.005  -7.578
  538   2HG2  VAL  69          2HG2      VAL  69 -11.660   3.445  -7.114
  539   3HG2  VAL  69          3HG2      VAL  69 -10.765   4.511  -8.201
  540    H    TYR  70           H        TYR  70 -10.714   4.284  -2.762
  541    HA   TYR  70           HA       TYR  70  -9.538   6.834  -2.011
  542   1HB   TYR  70          1HB       TYR  70  -9.361   4.253  -0.485
  543   2HB   TYR  70          2HB       TYR  70  -8.938   5.844   0.092
  544    HD1  TYR  70           HD1      TYR  70 -10.469   4.343   1.844
  545    HD2  TYR  70           HD2      TYR  70 -11.843   6.551  -1.511
  546    HE1  TYR  70           HE1      TYR  70 -12.672   4.567   2.909
  547    HE2  TYR  70           HE2      TYR  70 -14.049   6.782  -0.467
  548    HH   TYR  70           HH       TYR  70 -14.626   6.052   2.804
  549    H    LEU  71           H        LEU  71  -7.751   7.083  -3.057
  550    HA   LEU  71           HA       LEU  71  -6.100   4.810  -3.764
  551   1HB   LEU  71          1HB       LEU  71  -6.459   6.138  -5.675
  552   2HB   LEU  71          2HB       LEU  71  -6.189   7.631  -4.797
  553    HG   LEU  71           HG       LEU  71  -3.827   7.254  -4.705
  554   1HD1  LEU  71          1HD1      LEU  71  -3.770   4.862  -4.272
  555   2HD1  LEU  71          2HD1      LEU  71  -2.758   5.245  -5.667
  556   3HD1  LEU  71          3HD1      LEU  71  -4.355   4.531  -5.906
  557   1HD2  LEU  71          1HD2      LEU  71  -4.841   6.552  -7.451
  558   2HD2  LEU  71          2HD2      LEU  71  -3.241   7.187  -7.070
  559   3HD2  LEU  71          3HD2      LEU  71  -4.675   8.179  -6.793
  560    H    PHE  72           H        PHE  72  -4.947   4.320  -2.193
  561    HA   PHE  72           HA       PHE  72  -3.576   6.229  -0.562
  562   1HB   PHE  72          1HB       PHE  72  -3.585   3.250  -0.653
  563   2HB   PHE  72          2HB       PHE  72  -2.622   4.158   0.492
  564    HD1  PHE  72           HD1      PHE  72  -5.982   3.074  -0.441
  565    HD2  PHE  72           HD2      PHE  72  -3.676   5.331   2.333
  566    HE1  PHE  72           HE1      PHE  72  -7.904   3.150   1.090
  567    HE2  PHE  72           HE2      PHE  72  -5.596   5.416   3.868
  568    HZ   PHE  72           HZ       PHE  72  -7.715   4.327   3.245
  569    H    GLU  73           H        GLU  73  -1.889   7.050  -1.227
  570    HA   GLU  73           HA       GLU  73  -0.283   5.908  -3.356
  571   1HB   GLU  73          1HB       GLU  73   0.075   8.631  -2.131
  572   2HB   GLU  73          2HB       GLU  73   0.756   8.029  -3.627
  573   1HG   GLU  73          1HG       GLU  73  -1.451   8.066  -4.656
  574   2HG   GLU  73          2HG       GLU  73  -2.143   8.663  -3.142
  575    H    LEU  74           H        LEU  74   1.603   5.202  -2.972
  576    HA   LEU  74           HA       LEU  74   2.853   5.675  -0.372
  577   1HB   LEU  74          1HB       LEU  74   3.498   3.668  -2.504
  578   2HB   LEU  74          2HB       LEU  74   4.405   3.849  -1.022
  579    HG   LEU  74           HG       LEU  74   2.938   1.940  -0.847
  580   1HD1  LEU  74          1HD1      LEU  74   1.808   2.546   1.193
  581   2HD1  LEU  74          2HD1      LEU  74   1.868   4.253   0.743
  582   3HD1  LEU  74          3HD1      LEU  74   3.361   3.385   1.096
  583   1HD2  LEU  74          1HD2      LEU  74   1.255   2.543  -2.479
  584   2HD2  LEU  74          2HD2      LEU  74   0.692   3.852  -1.437
  585   3HD2  LEU  74          3HD2      LEU  74   0.508   2.174  -0.926
  586    H    HIS  75           H        HIS  75   4.093   7.321  -0.528
  587    HA   HIS  75           HA       HIS  75   5.865   7.444  -2.870
  588   1HB   HIS  75          1HB       HIS  75   5.100   9.676  -0.946
  589   2HB   HIS  75          2HB       HIS  75   6.374   9.808  -2.151
  590    HD1  HIS  75           HD1      HIS  75   5.616  11.088  -4.128
  591    HD2  HIS  75           HD2      HIS  75   2.503   8.892  -2.438
  592    HE1  HIS  75           HE1      HIS  75   3.585  11.586  -5.528
  593    HE2  HIS  75           HE2      HIS  75   1.721  10.207  -4.536
  594    H    ILE  76           H        ILE  76   7.195   5.929  -2.156
  595    HA   ILE  76           HA       ILE  76   8.457   6.417   0.449
  596    HB   ILE  76           HB       ILE  76   8.095   3.823  -0.991
  597   1HG1  ILE  76          1HG1      ILE  76   6.732   4.893   1.494
  598   2HG1  ILE  76          2HG1      ILE  76   5.984   4.636  -0.095
  599   1HG2  ILE  76          1HG2      ILE  76  10.158   3.827   0.302
  600   2HG2  ILE  76          2HG2      ILE  76   8.952   2.785   1.067
  601   3HG2  ILE  76          3HG2      ILE  76   9.263   4.387   1.722
  602   1HD1  ILE  76          1HD1      ILE  76   7.119   2.461   1.647
  603   2HD1  ILE  76          2HD1      ILE  76   6.308   2.243   0.094
  604   3HD1  ILE  76          3HD1      ILE  76   5.410   2.862   1.480
  605    H    THR  77           H        THR  77  10.164   7.428  -0.130
  606    HA   THR  77           HA       THR  77  11.777   6.502  -2.287
  607    HB   THR  77           HB       THR  77  13.003   8.621  -2.010
  608    HG1  THR  77           HG1      THR  77  12.679   9.271   0.051
  609   1HG2  THR  77          1HG2      THR  77  11.155   8.398  -3.585
  610   2HG2  THR  77          2HG2      THR  77  11.277  10.040  -2.938
  611   3HG2  THR  77          3HG2      THR  77  10.039   8.941  -2.331
  612    H    ASP  78           H        ASP  78  13.893   6.670  -1.947
  613    HA   ASP  78           HA       ASP  78  15.833   5.854  -1.152
  614   1HB   ASP  78          1HB       ASP  78  14.900   7.132   1.355
  615   2HB   ASP  78          2HB       ASP  78  16.536   6.721   0.885
  616    H    ALA  79           H        ALA  79  14.827   3.858  -1.322
  617    HA   ALA  79           HA       ALA  79  13.944   2.372   0.928
  618   1HB   ALA  79          1HB       ALA  79  14.227   0.405  -0.588
  619   2HB   ALA  79          2HB       ALA  79  14.873   1.506  -1.808
  620   3HB   ALA  79          3HB       ALA  79  13.210   1.686  -1.249
  621    H    GLN  80           H        GLN  80  15.332   2.028   2.553
  622    HA   GLN  80           HA       GLN  80  18.098   1.707   2.506
  623   1HB   GLN  80          1HB       GLN  80  17.037   1.975   4.606
  624   2HB   GLN  80          2HB       GLN  80  15.864   0.711   4.274
  625   1HG   GLN  80          1HG       GLN  80  17.139  -0.474   5.676
  626   2HG   GLN  80          2HG       GLN  80  18.127  -0.732   4.238
  627   1HE2  GLN  80          1HE2      GLN  80  19.038   2.097   4.289
  628   2HE2  GLN  80          2HE2      GLN  80  20.232   2.157   5.536
  629    HA   PRO  81           HA       PRO  81  18.759  -2.178   0.410
  630   1HB   PRO  81          1HB       PRO  81  20.888  -3.151   1.876
  631   2HB   PRO  81          2HB       PRO  81  21.028  -1.964   0.575
  632   1HG   PRO  81          1HG       PRO  81  20.941  -1.540   3.535
  633   2HG   PRO  81          2HG       PRO  81  21.958  -0.746   2.317
  634   1HD   PRO  81          1HD       PRO  81  19.802   0.472   3.337
  635   2HD   PRO  81          2HD       PRO  81  20.252   0.665   1.631
  636    H    ALA  82           H        ALA  82  18.070  -1.999   3.765
  637    HA   ALA  82           HA       ALA  82  17.413  -4.858   3.872
  638   1HB   ALA  82          1HB       ALA  82  17.586  -2.825   6.097
  639   2HB   ALA  82          2HB       ALA  82  18.789  -4.056   5.716
  640   3HB   ALA  82          3HB       ALA  82  17.192  -4.533   6.298
  641    H    PHE  83           H        PHE  83  15.902  -2.504   2.526
  642    HA   PHE  83           HA       PHE  83  13.453  -2.526   4.122
  643   1HB   PHE  83          1HB       PHE  83  14.675  -0.727   2.165
  644   2HB   PHE  83          2HB       PHE  83  12.958  -0.972   1.908
  645    HD1  PHE  83           HD1      PHE  83  13.947  -1.288   5.348
  646    HD2  PHE  83           HD2      PHE  83  12.894   1.517   2.318
  647    HE1  PHE  83           HE1      PHE  83  13.458   0.394   7.073
  648    HE2  PHE  83           HE2      PHE  83  12.408   3.202   4.044
  649    HZ   PHE  83           HZ       PHE  83  12.694   2.642   6.424
  650    H    THR  84           H        THR  84  14.848  -4.134   1.516
  651    HA   THR  84           HA       THR  84  13.456  -4.830  -0.436
  652    HB   THR  84           HB       THR  84  14.212  -6.910   1.587
  653    HG1  THR  84           HG1      THR  84  16.213  -6.613   0.902
  654   1HG2  THR  84          1HG2      THR  84  12.792  -7.871  -0.139
  655   2HG2  THR  84          2HG2      THR  84  14.459  -8.371  -0.424
  656   3HG2  THR  84          3HG2      THR  84  13.741  -7.084  -1.399
  657    H    GLY  85           H        GLY  85  11.583  -4.287  -0.532
  658   1HA   GLY  85          1HA       GLY  85   9.631  -4.275   1.328
  659   2HA   GLY  85          2HA       GLY  85   9.384  -4.030  -0.379
  660    H    GLY  86           H        GLY  86   8.813  -5.911   2.187
  661   1HA   GLY  86          1HA       GLY  86   7.062  -7.361   0.354
  662   2HA   GLY  86          2HA       GLY  86   7.367  -7.855   2.012
  663    H    TYR  87           H        TYR  87   6.191  -5.183   0.130
  664    HA   TYR  87           HA       TYR  87   4.628  -4.005   2.260
  665   1HB   TYR  87          1HB       TYR  87   4.609  -3.555  -0.747
  666   2HB   TYR  87          2HB       TYR  87   3.757  -2.569   0.436
  667    HD1  TYR  87           HD1      TYR  87   7.159  -3.663  -0.599
  668    HD2  TYR  87           HD2      TYR  87   4.816  -0.795   1.490
  669    HE1  TYR  87           HE1      TYR  87   9.148  -2.244  -0.321
  670    HE2  TYR  87           HE2      TYR  87   6.792   0.623   1.771
  671    HH   TYR  87           HH       TYR  87   9.637   0.190   0.068
  672    H    ARG  88           H        ARG  88   2.706  -4.909   2.901
  673    HA   ARG  88           HA       ARG  88   1.155  -6.471   0.915
  674   1HB   ARG  88          1HB       ARG  88   1.379  -6.753   3.926
  675   2HB   ARG  88          2HB       ARG  88   0.114  -7.532   2.989
  676   1HG   ARG  88          1HG       ARG  88   1.692  -8.891   1.846
  677   2HG   ARG  88          2HG       ARG  88   3.049  -7.981   2.515
  678   1HD   ARG  88          1HD       ARG  88   2.602 -10.190   3.619
  679   2HD   ARG  88          2HD       ARG  88   2.630  -8.806   4.707
  680    HE   ARG  88           HE       ARG  88   0.012  -9.018   4.176
  681   1HH1  ARG  88          1HH1      ARG  88   2.368 -11.449   5.094
  682   2HH1  ARG  88          2HH1      ARG  88   1.215 -12.420   5.964
  683   1HH2  ARG  88          1HH2      ARG  88  -1.510 -10.296   5.290
  684   2HH2  ARG  88          2HH2      ARG  88  -0.999 -11.782   6.034
  685    H    CYS  89           H        CYS  89  -0.738  -5.598   0.380
  686    HA   CYS  89           HA       CYS  89  -1.866  -3.611   2.230
  687   1HB   CYS  89          1HB       CYS  89  -1.165  -2.981  -0.219
  688   2HB   CYS  89          2HB       CYS  89  -2.701  -3.733  -0.622
  689    HG   CYS  89           HG       CYS  89  -2.111  -0.909   1.144
  690    H    GLU  90           H        GLU  90  -3.572  -4.237   3.209
  691    HA   GLU  90           HA       GLU  90  -5.279  -6.282   1.993
  692   1HB   GLU  90          1HB       GLU  90  -4.146  -6.307   4.797
  693   2HB   GLU  90          2HB       GLU  90  -5.394  -7.401   4.225
  694   1HG   GLU  90          1HG       GLU  90  -3.909  -8.420   2.666
  695   2HG   GLU  90          2HG       GLU  90  -2.684  -7.189   2.948
  696    H    VAL  91           H        VAL  91  -7.082  -5.157   1.672
  697    HA   VAL  91           HA       VAL  91  -8.008  -3.318   3.745
  698    HB   VAL  91           HB       VAL  91  -8.138  -2.330   1.589
  699   1HG1  VAL  91          1HG1      VAL  91  -9.669  -4.762   0.676
  700   2HG1  VAL  91          2HG1      VAL  91  -8.020  -4.337   0.223
  701   3HG1  VAL  91          3HG1      VAL  91  -9.365  -3.319  -0.293
  702   1HG2  VAL  91          1HG2      VAL  91 -10.012  -1.754   2.950
  703   2HG2  VAL  91          2HG2      VAL  91 -10.867  -3.225   2.494
  704   3HG2  VAL  91          3HG2      VAL  91 -10.591  -1.959   1.298
  705    H    SER  92           H        SER  92  -9.904  -3.511   4.772
  706    HA   SER  92           HA       SER  92 -11.439  -5.979   4.395
  707   1HB   SER  92          1HB       SER  92  -9.808  -6.338   6.257
  708   2HB   SER  92          2HB       SER  92 -10.509  -4.955   7.095
  709    HG   SER  92           HG       SER  92 -11.893  -7.322   6.354
  710    H    THR  93           H        THR  93 -13.331  -5.215   3.809
  711    HA   THR  93           HA       THR  93 -14.545  -3.034   5.376
  712    HB   THR  93           HB       THR  93 -15.189  -3.308   2.511
  713    HG1  THR  93           HG1      THR  93 -12.739  -3.115   3.095
  714   1HG2  THR  93          1HG2      THR  93 -16.423  -1.764   3.910
  715   2HG2  THR  93          2HG2      THR  93 -15.469  -0.886   2.709
  716   3HG2  THR  93          3HG2      THR  93 -14.915  -0.973   4.380
  717    H    LYS  94           H        LYS  94 -16.803  -3.146   5.440
  718    HA   LYS  94           HA       LYS  94 -18.501  -4.547   6.202
  719   1HB   LYS  94          1HB       LYS  94 -19.805  -5.128   3.936
  720   2HB   LYS  94          2HB       LYS  94 -19.766  -3.534   4.658
  721   1HG   LYS  94          1HG       LYS  94 -19.376  -3.108   2.426
  722   2HG   LYS  94          2HG       LYS  94 -17.753  -3.107   3.100
  723   1HD   LYS  94          1HD       LYS  94 -17.991  -4.275   0.915
  724   2HD   LYS  94          2HD       LYS  94 -17.302  -5.262   2.202
  725   1HE   LYS  94          1HE       LYS  94 -18.964  -6.442   0.771
  726   2HE   LYS  94          2HE       LYS  94 -19.348  -6.450   2.490
  727   1HZ   LYS  94          1HZ       LYS  94 -21.024  -4.817   2.175
  728   2HZ   LYS  94          2HZ       LYS  94 -21.263  -6.000   0.984
  729   3HZ   LYS  94          3HZ       LYS  94 -20.542  -4.519   0.576
  730    H    ASP  95           H        ASP  95 -17.683  -6.187   3.243
  731    HA   ASP  95           HA       ASP  95 -17.390  -8.695   4.587
  732   1HB   ASP  95          1HB       ASP  95 -19.814  -8.216   3.905
  733   2HB   ASP  95          2HB       ASP  95 -19.263  -8.448   2.261
  734    H    LYS  96           H        LYS  96 -16.308  -6.506   2.404
  735    HA   LYS  96           HA       LYS  96 -15.483  -8.423   0.424
  736   1HB   LYS  96          1HB       LYS  96 -16.059  -5.664   0.061
  737   2HB   LYS  96          2HB       LYS  96 -14.332  -5.829  -0.067
  738   1HG   LYS  96          1HG       LYS  96 -16.204  -7.617  -1.539
  739   2HG   LYS  96          2HG       LYS  96 -15.646  -6.072  -2.196
  740   1HD   LYS  96          1HD       LYS  96 -13.422  -6.767  -2.242
  741   2HD   LYS  96          2HD       LYS  96 -13.714  -8.128  -1.153
  742   1HE   LYS  96          1HE       LYS  96 -13.604  -9.271  -3.107
  743   2HE   LYS  96          2HE       LYS  96 -15.308  -8.820  -3.187
  744   1HZ   LYS  96          1HZ       LYS  96 -14.756  -6.953  -4.549
  745   2HZ   LYS  96          2HZ       LYS  96 -14.098  -8.358  -5.250
  746   3HZ   LYS  96          3HZ       LYS  96 -13.090  -7.277  -4.406
  747    H    PHE  97           H        PHE  97 -13.561  -9.084   0.297
  748    HA   PHE  97           HA       PHE  97 -11.467  -7.792   1.854
  749   1HB   PHE  97          1HB       PHE  97 -12.433  -9.822   2.961
  750   2HB   PHE  97          2HB       PHE  97 -11.738 -10.780   1.659
  751    HD1  PHE  97           HD1      PHE  97 -11.028  -8.794   4.640
  752    HD2  PHE  97           HD2      PHE  97  -9.331 -11.060   1.463
  753    HE1  PHE  97           HE1      PHE  97  -8.891  -8.875   5.848
  754    HE2  PHE  97           HE2      PHE  97  -7.187 -11.146   2.668
  755    HZ   PHE  97           HZ       PHE  97  -6.963 -10.056   4.861
  756    H    ASP  98           H        ASP  98  -9.681  -7.487   0.853
  757    HA   ASP  98           HA       ASP  98  -8.879  -9.042  -1.469
  758   1HB   ASP  98          1HB       ASP  98  -9.686  -6.152  -1.648
  759   2HB   ASP  98          2HB       ASP  98  -8.405  -6.762  -2.680
  760    H    CYS  99           H        CYS  99  -6.630  -8.739  -1.967
  761    HA   CYS  99           HA       CYS  99  -5.094  -7.074  -0.160
  762   1HB   CYS  99          1HB       CYS  99  -3.774  -9.074   0.667
  763   2HB   CYS  99          2HB       CYS  99  -5.399  -8.894   1.318
  764    HG   CYS  99           HG       CYS  99  -6.055 -10.715  -1.122
  765    H    SER 100           H        SER 100  -2.869  -6.945  -0.653
  766    HA   SER 100           HA       SER 100  -2.081  -8.152  -3.213
  767   1HB   SER 100          1HB       SER 100  -0.764  -6.021  -3.636
  768   2HB   SER 100          2HB       SER 100  -2.501  -5.937  -3.837
  769    HG   SER 100           HG       SER 100  -1.002  -4.433  -2.310
  770    H    ASN 101           H        ASN 101   0.046  -8.474  -3.558
  771    HA   ASN 101           HA       ASN 101   1.834  -8.219  -1.262
  772   1HB   ASN 101          1HB       ASN 101   2.757 -10.452  -1.610
  773   2HB   ASN 101          2HB       ASN 101   1.043 -10.550  -1.256
  774   1HD2  ASN 101          1HD2      ASN 101   0.261  -9.832  -4.023
  775   2HD2  ASN 101          2HD2      ASN 101   0.589 -11.240  -4.967
  776    H    PHE 102           H        PHE 102   3.439  -6.913  -1.901
  777    HA   PHE 102           HA       PHE 102   4.535  -7.297  -4.570
  778   1HB   PHE 102          1HB       PHE 102   4.375  -4.803  -4.977
  779   2HB   PHE 102          2HB       PHE 102   2.879  -5.714  -5.121
  780    HD1  PHE 102           HD1      PHE 102   4.533  -2.972  -3.579
  781    HD2  PHE 102           HD2      PHE 102   1.266  -5.663  -3.146
  782    HE1  PHE 102           HE1      PHE 102   3.447  -1.405  -2.029
  783    HE2  PHE 102           HE2      PHE 102   0.183  -4.095  -1.599
  784    HZ   PHE 102           HZ       PHE 102   1.273  -1.967  -1.037
  785    H    ASN 103           H        ASN 103   6.632  -6.983  -4.618
  786    HA   ASN 103           HA       ASN 103   7.852  -6.347  -2.052
  787   1HB   ASN 103          1HB       ASN 103   9.531  -7.823  -2.617
  788   2HB   ASN 103          2HB       ASN 103   8.137  -8.586  -3.276
  789   1HD2  ASN 103          1HD2      ASN 103   7.904  -8.671  -5.511
  790   2HD2  ASN 103          2HD2      ASN 103   9.264  -8.436  -6.539
  791    H    LEU 104           H        LEU 104   9.723  -5.319  -1.991
  792    HA   LEU 104           HA       LEU 104  10.445  -3.675  -4.335
  793   1HB   LEU 104          1HB       LEU 104   9.884  -1.914  -3.046
  794   2HB   LEU 104          2HB       LEU 104  10.063  -2.795  -1.531
  795    HG   LEU 104           HG       LEU 104  12.595  -2.436  -2.662
  796   1HD1  LEU 104          1HD1      LEU 104  12.739  -0.028  -2.907
  797   2HD1  LEU 104          2HD1      LEU 104  10.996   0.091  -2.656
  798   3HD1  LEU 104          3HD1      LEU 104  11.628  -0.739  -4.078
  799   1HD2  LEU 104          1HD2      LEU 104  12.547  -2.500  -0.358
  800   2HD2  LEU 104          2HD2      LEU 104  11.169  -1.399  -0.268
  801   3HD2  LEU 104          3HD2      LEU 104  12.770  -0.776  -0.669
  802    H    THR 105           H        THR 105  12.254  -4.504  -5.154
  803    HA   THR 105           HA       THR 105  14.163  -5.755  -3.343
  804    HB   THR 105           HB       THR 105  14.332  -5.582  -6.343
  805    HG1  THR 105           HG1      THR 105  12.536  -6.903  -5.062
  806   1HG2  THR 105          1HG2      THR 105  15.724  -7.340  -4.329
  807   2HG2  THR 105          2HG2      THR 105  16.454  -6.004  -5.218
  808   3HG2  THR 105          3HG2      THR 105  15.911  -7.447  -6.080
  809    H    VAL 106           H        VAL 106  15.187  -4.169  -2.351
  810    HA   VAL 106           HA       VAL 106  16.163  -1.885  -3.733
  811    HB   VAL 106           HB       VAL 106  15.416  -1.514  -1.460
  812   1HG1  VAL 106          1HG1      VAL 106  15.595  -3.552  -0.410
  813   2HG1  VAL 106          2HG1      VAL 106  16.765  -2.516   0.420
  814   3HG1  VAL 106          3HG1      VAL 106  17.316  -3.692  -0.776
  815   1HG2  VAL 106          1HG2      VAL 106  17.179  -0.074  -2.226
  816   2HG2  VAL 106          2HG2      VAL 106  18.394  -1.278  -1.769
  817   3HG2  VAL 106          3HG2      VAL 106  17.448  -0.465  -0.523
  818    H    HIS 107           H        HIS 107  17.806  -1.899  -4.744
  819    HA   HIS 107           HA       HIS 107  19.792  -3.996  -4.619
  820   1HB   HIS 107          1HB       HIS 107  19.471  -1.713  -6.585
  821   2HB   HIS 107          2HB       HIS 107  20.641  -3.018  -6.723
  822    HD1  HIS 107           HD1      HIS 107  19.704  -5.400  -7.280
  823    HD2  HIS 107           HD2      HIS 107  16.928  -2.310  -7.529
  824    HE1  HIS 107           HE1      HIS 107  17.691  -6.375  -8.421
  825    HE2  HIS 107           HE2      HIS 107  16.140  -4.437  -8.781
  826    H    GLU 108           H        GLU 108  20.971  -3.586  -2.914
  827    HA   GLU 108           HA       GLU 108  22.100  -1.148  -2.132
  828   1HB   GLU 108          1HB       GLU 108  22.092  -3.274  -0.785
  829   2HB   GLU 108          2HB       GLU 108  23.398  -3.859  -1.810
  830   1HG   GLU 108          1HG       GLU 108  24.709  -1.843  -1.128
  831   2HG   GLU 108          2HG       GLU 108  23.441  -1.498   0.047
  832    H    ALA 109           H        ALA 109  23.786  -3.816  -3.791
  833    HA   ALA 109           HA       ALA 109  25.384  -1.786  -5.222
  834   1HB   ALA 109          1HB       ALA 109  27.179  -3.418  -5.359
  835   2HB   ALA 109          2HB       ALA 109  26.186  -4.611  -4.521
  836   3HB   ALA 109          3HB       ALA 109  26.716  -3.156  -3.677
  837    H    MET 110           H        MET 110  24.088  -5.079  -5.481
  838    HA   MET 110           HA       MET 110  23.529  -4.559  -8.320
  839   1HB   MET 110          1HB       MET 110  25.441  -6.095  -8.147
  840   2HB   MET 110          2HB       MET 110  24.493  -7.163  -7.121
  841   1HG   MET 110          1HG       MET 110  22.956  -7.599  -8.942
  842   2HG   MET 110          2HG       MET 110  23.836  -6.476  -9.977
  843   1HE   MET 110          1HE       MET 110  24.021  -8.365 -11.856
  844   2HE   MET 110          2HE       MET 110  23.142  -9.487 -10.820
  845   3HE   MET 110          3HE       MET 110  24.668  -9.978 -11.557
  Start of MODEL    2
    1    H    ASP   1           H        ASP   1 -18.020 -11.683   0.863
    2    HA   ASP   1           HA       ASP   1 -18.321  -9.310   0.374
    3   1HB   ASP   1          1HB       ASP   1 -17.618 -10.712  -2.146
    4   2HB   ASP   1          2HB       ASP   1 -16.945  -9.223  -1.501
    5    H    ASP   2           H        ASP   2 -19.756  -7.862  -0.070
    6    HA   ASP   2           HA       ASP   2 -21.928  -8.348  -1.860
    7   1HB   ASP   2          1HB       ASP   2 -20.898  -6.127  -0.145
    8   2HB   ASP   2          2HB       ASP   2 -22.237  -5.861  -1.241
    9    HA   PRO   3           HA       PRO   3 -20.236  -6.194  -5.438
   10   1HB   PRO   3          1HB       PRO   3 -22.467  -4.296  -5.566
   11   2HB   PRO   3          2HB       PRO   3 -22.023  -5.573  -6.701
   12   1HG   PRO   3          1HG       PRO   3 -24.216  -5.721  -5.133
   13   2HG   PRO   3          2HG       PRO   3 -23.295  -7.153  -5.623
   14   1HD   PRO   3          1HD       PRO   3 -23.278  -5.685  -3.015
   15   2HD   PRO   3          2HD       PRO   3 -23.205  -7.432  -3.326
   16    H    ILE   4           H        ILE   4 -18.541  -5.266  -4.178
   17    HA   ILE   4           HA       ILE   4 -18.824  -2.354  -3.814
   18    HB   ILE   4           HB       ILE   4 -17.226  -4.387  -2.308
   19   1HG1  ILE   4          1HG1      ILE   4 -17.935  -2.898  -0.386
   20   2HG1  ILE   4          2HG1      ILE   4 -18.918  -2.009  -1.544
   21   1HG2  ILE   4          1HG2      ILE   4 -16.478  -1.471  -2.522
   22   2HG2  ILE   4          2HG2      ILE   4 -15.509  -2.849  -3.055
   23   3HG2  ILE   4          3HG2      ILE   4 -15.824  -2.601  -1.337
   24   1HD1  ILE   4          1HD1      ILE   4 -20.153  -4.047  -2.045
   25   2HD1  ILE   4          2HD1      ILE   4 -20.239  -3.625  -0.333
   26   3HD1  ILE   4          3HD1      ILE   4 -19.165  -4.922  -0.870
   27    H    GLY   5           H        GLY   5 -16.341  -4.804  -4.453
   28   1HA   GLY   5          1HA       GLY   5 -14.853  -4.883  -6.294
   29   2HA   GLY   5          2HA       GLY   5 -15.443  -3.297  -6.785
   30    H    LEU   6           H        LEU   6 -14.289  -4.573  -3.816
   31    HA   LEU   6           HA       LEU   6 -13.362  -2.226  -2.758
   32   1HB   LEU   6          1HB       LEU   6 -13.898  -4.571  -1.794
   33   2HB   LEU   6          2HB       LEU   6 -12.204  -4.898  -2.087
   34    HG   LEU   6           HG       LEU   6 -11.565  -3.152  -0.565
   35   1HD1  LEU   6          1HD1      LEU   6 -14.472  -2.679  -0.020
   36   2HD1  LEU   6          2HD1      LEU   6 -13.502  -1.652  -1.079
   37   3HD1  LEU   6          3HD1      LEU   6 -13.091  -1.797   0.631
   38   1HD2  LEU   6          1HD2      LEU   6 -11.989  -5.349   0.308
   39   2HD2  LEU   6          2HD2      LEU   6 -13.688  -4.938   0.543
   40   3HD2  LEU   6          3HD2      LEU   6 -12.443  -4.114   1.481
   41    H    PHE   7           H        PHE   7 -11.573  -4.739  -4.454
   42    HA   PHE   7           HA       PHE   7  -9.157  -3.155  -4.221
   43   1HB   PHE   7          1HB       PHE   7  -9.662  -5.876  -4.056
   44   2HB   PHE   7          2HB       PHE   7  -8.880  -5.676  -5.623
   45    HD1  PHE   7           HD1      PHE   7  -8.348  -3.875  -2.406
   46    HD2  PHE   7           HD2      PHE   7  -6.730  -6.448  -5.375
   47    HE1  PHE   7           HE1      PHE   7  -6.160  -3.786  -1.285
   48    HE2  PHE   7           HE2      PHE   7  -4.543  -6.361  -4.268
   49    HZ   PHE   7           HZ       PHE   7  -4.247  -5.035  -2.222
   50    H    VAL   8           H        VAL   8  -9.745  -1.564  -5.599
   51    HA   VAL   8           HA       VAL   8 -10.627  -1.974  -8.269
   52    HB   VAL   8           HB       VAL   8  -9.392   0.518  -7.089
   53   1HG1  VAL   8          1HG1      VAL   8  -9.638   0.593  -9.514
   54   2HG1  VAL   8          2HG1      VAL   8 -10.768   1.699  -8.732
   55   3HG1  VAL   8          3HG1      VAL   8 -11.342   0.154  -9.362
   56   1HG2  VAL   8          1HG2      VAL   8 -11.189  -0.303  -5.650
   57   2HG2  VAL   8          2HG2      VAL   8 -12.273  -0.375  -7.040
   58   3HG2  VAL   8          3HG2      VAL   8 -11.663   1.182  -6.476
   59    H    MET   9           H        MET   9  -7.519  -1.184  -6.777
   60    HA   MET   9           HA       MET   9  -6.143  -2.458  -8.958
   61   1HB   MET   9          1HB       MET   9  -6.425  -0.136  -9.801
   62   2HB   MET   9          2HB       MET   9  -5.523   0.427  -8.402
   63   1HG   MET   9          1HG       MET   9  -3.585  -0.862  -9.114
   64   2HG   MET   9          2HG       MET   9  -4.481  -1.437 -10.516
   65   1HE   MET   9          1HE       MET   9  -4.827   1.661 -12.772
   66   2HE   MET   9          2HE       MET   9  -6.009   0.876 -11.726
   67   3HE   MET   9          3HE       MET   9  -4.894  -0.100 -12.682
   68    H    ARG  10           H        ARG  10  -4.395  -3.397  -8.281
   69    HA   ARG  10           HA       ARG  10  -3.544  -2.893  -5.518
   70   1HB   ARG  10          1HB       ARG  10  -2.580  -5.186  -5.649
   71   2HB   ARG  10          2HB       ARG  10  -4.319  -5.156  -5.874
   72   1HG   ARG  10          1HG       ARG  10  -3.948  -5.288  -8.325
   73   2HG   ARG  10          2HG       ARG  10  -2.224  -5.480  -8.008
   74   1HD   ARG  10          1HD       ARG  10  -3.126  -7.659  -8.325
   75   2HD   ARG  10          2HD       ARG  10  -2.788  -7.472  -6.603
   76    HE   ARG  10           HE       ARG  10  -5.516  -7.048  -7.651
   77   1HH1  ARG  10          1HH1      ARG  10  -3.290  -8.850  -5.636
   78   2HH1  ARG  10          2HH1      ARG  10  -4.537  -9.639  -4.723
   79   1HH2  ARG  10          1HH2      ARG  10  -7.176  -8.142  -6.494
   80   2HH2  ARG  10          2HH2      ARG  10  -6.754  -9.223  -5.199
   81    HA   PRO  11           HA       PRO  11   0.229  -1.356  -7.215
   82   1HB   PRO  11          1HB       PRO  11   1.759  -1.439  -4.931
   83   2HB   PRO  11          2HB       PRO  11   0.648  -0.145  -5.344
   84   1HG   PRO  11          1HG       PRO  11   0.411  -2.210  -3.331
   85   2HG   PRO  11          2HG       PRO  11  -0.464  -0.682  -3.475
   86   1HD   PRO  11          1HD       PRO  11  -1.437  -3.283  -4.088
   87   2HD   PRO  11          2HD       PRO  11  -2.251  -1.735  -4.373
   88    H    GLN  12           H        GLN  12   2.543  -1.977  -7.391
   89    HA   GLN  12           HA       GLN  12   2.771  -4.900  -7.382
   90   1HB   GLN  12          1HB       GLN  12   3.681  -2.933  -9.489
   91   2HB   GLN  12          2HB       GLN  12   3.858  -4.680  -9.558
   92   1HG   GLN  12          1HG       GLN  12   1.194  -3.356  -9.261
   93   2HG   GLN  12          2HG       GLN  12   1.922  -3.655 -10.841
   94   1HE2  GLN  12          1HE2      GLN  12   0.652  -5.204  -7.913
   95   2HE2  GLN  12          2HE2      GLN  12   0.356  -6.744  -8.656
   96    H    ASP  13           H        ASP  13   5.272  -5.313  -8.103
   97    HA   ASP  13           HA       ASP  13   6.754  -4.701  -5.871
   98   1HB   ASP  13          1HB       ASP  13   8.493  -5.866  -7.276
   99   2HB   ASP  13          2HB       ASP  13   7.023  -6.775  -7.027
  100    H    GLY  14           H        GLY  14   9.129  -4.587  -7.378
  101   1HA   GLY  14          1HA       GLY  14   9.813  -2.553  -8.921
  102   2HA   GLY  14          2HA       GLY  14   9.415  -1.690  -7.448
  103    H    GLU  15           H        GLU  15  11.837  -2.535  -9.083
  104    HA   GLU  15           HA       GLU  15  13.520  -3.233  -6.787
  105   1HB   GLU  15          1HB       GLU  15  14.080  -3.572  -9.739
  106   2HB   GLU  15          2HB       GLU  15  15.249  -3.869  -8.461
  107   1HG   GLU  15          1HG       GLU  15  13.241  -5.433  -7.619
  108   2HG   GLU  15          2HG       GLU  15  12.972  -5.493  -9.362
  109    H    VAL  16           H        VAL  16  14.480  -1.499  -5.959
  110    HA   VAL  16           HA       VAL  16  15.126   0.708  -7.673
  111    HB   VAL  16           HB       VAL  16  14.132   2.259  -6.278
  112   1HG1  VAL  16          1HG1      VAL  16  12.254  -0.068  -6.382
  113   2HG1  VAL  16          2HG1      VAL  16  12.479   1.176  -7.613
  114   3HG1  VAL  16          3HG1      VAL  16  11.776   1.597  -6.053
  115   1HG2  VAL  16          1HG2      VAL  16  14.868   1.511  -4.111
  116   2HG2  VAL  16          2HG2      VAL  16  13.764   0.130  -4.181
  117   3HG2  VAL  16          3HG2      VAL  16  13.121   1.769  -4.072
  118    H    THR  17           H        THR  17  16.877   1.708  -7.035
  119    HA   THR  17           HA       THR  17  18.748   0.216  -5.470
  120    HB   THR  17           HB       THR  17  19.349   2.977  -6.409
  121    HG1  THR  17           HG1      THR  17  18.938   2.508  -8.451
  122   1HG2  THR  17          1HG2      THR  17  21.088   1.652  -5.351
  123   2HG2  THR  17          2HG2      THR  17  21.478   1.946  -7.047
  124   3HG2  THR  17          3HG2      THR  17  20.855   0.375  -6.541
  125    H    VAL  18           H        VAL  18  19.877   1.131  -3.620
  126    HA   VAL  18           HA       VAL  18  18.289   2.554  -1.783
  127    HB   VAL  18           HB       VAL  18  21.239   2.559  -1.596
  128   1HG1  VAL  18          1HG1      VAL  18  19.089   2.390   0.481
  129   2HG1  VAL  18          2HG1      VAL  18  19.996   3.833   0.028
  130   3HG1  VAL  18          3HG1      VAL  18  20.822   2.482   0.805
  131   1HG2  VAL  18          1HG2      VAL  18  20.620   0.245  -2.146
  132   2HG2  VAL  18          2HG2      VAL  18  19.523   0.236  -0.765
  133   3HG2  VAL  18          3HG2      VAL  18  21.262   0.388  -0.509
  134    H    GLY  19           H        GLY  19  17.739   4.328  -2.374
  135   1HA   GLY  19          1HA       GLY  19  18.422   6.686  -1.877
  136   2HA   GLY  19          2HA       GLY  19  19.739   6.394  -3.001
  137    H    GLY  20           H        GLY  20  17.008   4.814  -4.256
  138   1HA   GLY  20          1HA       GLY  20  16.427   7.166  -5.875
  139   2HA   GLY  20          2HA       GLY  20  15.951   5.514  -6.212
  140    H    SER  21           H        SER  21  14.013   5.391  -6.117
  141    HA   SER  21           HA       SER  21  12.608   5.890  -3.731
  142   1HB   SER  21          1HB       SER  21  10.766   6.947  -5.022
  143   2HB   SER  21          2HB       SER  21  12.182   7.919  -4.789
  144    HG   SER  21           HG       SER  21  10.995   7.419  -7.052
  145    H    ILE  22           H        ILE  22  10.599   4.952  -3.766
  146    HA   ILE  22           HA       ILE  22   9.946   3.089  -5.842
  147    HB   ILE  22           HB       ILE  22  10.996   1.744  -4.150
  148   1HG1  ILE  22          1HG1      ILE  22   9.147   0.142  -3.789
  149   2HG1  ILE  22          2HG1      ILE  22   8.025   1.374  -4.342
  150   1HG2  ILE  22          1HG2      ILE  22   8.857   2.701  -2.286
  151   2HG2  ILE  22          2HG2      ILE  22  10.585   3.027  -2.152
  152   3HG2  ILE  22          3HG2      ILE  22   9.982   1.381  -1.956
  153   1HD1  ILE  22          1HD1      ILE  22   9.169   1.387  -6.522
  154   2HD1  ILE  22          2HD1      ILE  22   8.480  -0.187  -6.117
  155   3HD1  ILE  22          3HD1      ILE  22  10.217   0.087  -5.956
  156    H    THR  23           H        THR  23   7.882   2.733  -5.937
  157    HA   THR  23           HA       THR  23   6.093   4.584  -4.581
  158    HB   THR  23           HB       THR  23   6.002   4.424  -7.572
  159    HG1  THR  23           HG1      THR  23   7.821   5.736  -6.022
  160   1HG2  THR  23          1HG2      THR  23   4.915   6.411  -5.572
  161   2HG2  THR  23          2HG2      THR  23   3.975   5.194  -6.439
  162   3HG2  THR  23          3HG2      THR  23   4.733   6.519  -7.324
  163    H    PHE  24           H        PHE  24   4.385   3.635  -4.015
  164    HA   PHE  24           HA       PHE  24   3.301   1.425  -5.628
  165   1HB   PHE  24          1HB       PHE  24   3.085   1.765  -2.640
  166   2HB   PHE  24          2HB       PHE  24   2.465   0.437  -3.587
  167    HD1  PHE  24           HD1      PHE  24   4.067  -1.120  -4.727
  168    HD2  PHE  24           HD2      PHE  24   5.317   1.772  -1.873
  169    HE1  PHE  24           HE1      PHE  24   6.175  -2.347  -4.420
  170    HE2  PHE  24           HE2      PHE  24   7.425   0.544  -1.554
  171    HZ   PHE  24           HZ       PHE  24   7.854  -1.517  -2.829
  172    H    SER  25           H        SER  25   1.177   1.496  -5.960
  173    HA   SER  25           HA       SER  25  -0.429   3.634  -4.820
  174   1HB   SER  25          1HB       SER  25  -1.179   2.875  -7.527
  175   2HB   SER  25          2HB       SER  25  -1.013   4.469  -6.811
  176    HG   SER  25           HG       SER  25   0.659   4.515  -8.131
  177    H    ALA  26           H        ALA  26  -2.024   2.831  -3.847
  178    HA   ALA  26           HA       ALA  26  -3.165   0.226  -4.618
  179   1HB   ALA  26          1HB       ALA  26  -3.761   0.007  -2.178
  180   2HB   ALA  26          2HB       ALA  26  -2.791   1.457  -1.879
  181   3HB   ALA  26          3HB       ALA  26  -2.029   0.014  -2.503
  182    H    ARG  27           H        ARG  27  -5.172   0.415  -5.439
  183    HA   ARG  27           HA       ARG  27  -6.730   2.819  -4.729
  184   1HB   ARG  27          1HB       ARG  27  -6.969   1.015  -7.141
  185   2HB   ARG  27          2HB       ARG  27  -7.967   2.426  -6.825
  186   1HG   ARG  27          1HG       ARG  27  -5.998   3.861  -6.962
  187   2HG   ARG  27          2HG       ARG  27  -4.989   2.442  -7.265
  188   1HD   ARG  27          1HD       ARG  27  -5.439   3.418  -9.378
  189   2HD   ARG  27          2HD       ARG  27  -6.440   1.972  -9.260
  190    HE   ARG  27           HE       ARG  27  -7.681   4.499  -8.517
  191   1HH1  ARG  27          1HH1      ARG  27  -7.273   1.978 -10.908
  192   2HH1  ARG  27          2HH1      ARG  27  -8.648   2.465 -11.855
  193   1HH2  ARG  27          1HH2      ARG  27  -9.498   5.162  -9.795
  194   2HH2  ARG  27          2HH2      ARG  27  -9.900   4.265 -11.225
  195    H    VAL  28           H        VAL  28  -8.533   2.579  -3.556
  196    HA   VAL  28           HA       VAL  28  -9.796  -0.040  -3.450
  197    HB   VAL  28           HB       VAL  28  -9.491   1.732  -1.036
  198   1HG1  VAL  28          1HG1      VAL  28 -11.382   0.109  -1.094
  199   2HG1  VAL  28          2HG1      VAL  28 -10.222  -0.205   0.201
  200   3HG1  VAL  28          3HG1      VAL  28 -10.203  -1.196  -1.258
  201   1HG2  VAL  28          1HG2      VAL  28  -7.283   1.123  -1.584
  202   2HG2  VAL  28          2HG2      VAL  28  -7.751  -0.531  -1.981
  203   3HG2  VAL  28          3HG2      VAL  28  -7.790   0.019  -0.310
  204    H    ALA  29           H        ALA  29 -11.783   0.001  -3.675
  205    HA   ALA  29           HA       ALA  29 -13.328   2.191  -4.407
  206   1HB   ALA  29          1HB       ALA  29 -15.200   0.617  -4.391
  207   2HB   ALA  29          2HB       ALA  29 -14.196  -0.560  -3.540
  208   3HB   ALA  29          3HB       ALA  29 -13.781  -0.067  -5.181
  209    H    GLY  30           H        GLY  30 -13.788   3.735  -3.074
  210   1HA   GLY  30          1HA       GLY  30 -14.221   3.823  -0.367
  211   2HA   GLY  30          2HA       GLY  30 -15.077   4.844  -1.509
  212    H    ALA  31           H        ALA  31 -16.775   3.397  -2.770
  213    HA   ALA  31           HA       ALA  31 -18.626   2.115  -2.866
  214   1HB   ALA  31          1HB       ALA  31 -18.632   0.006  -1.519
  215   2HB   ALA  31          2HB       ALA  31 -17.118   0.539  -0.788
  216   3HB   ALA  31          3HB       ALA  31 -17.207   0.243  -2.526
  217    H    SER  32           H        SER  32 -20.296   0.913  -1.329
  218    HA   SER  32           HA       SER  32 -20.995   2.716   0.878
  219   1HB   SER  32          1HB       SER  32 -23.306   1.522   0.483
  220   2HB   SER  32          2HB       SER  32 -22.799   2.826  -0.590
  221    HG   SER  32           HG       SER  32 -23.593   0.790  -1.588
  222    H    LEU  33           H        LEU  33 -21.108   1.858   2.895
  223    HA   LEU  33           HA       LEU  33 -21.140  -0.930   3.403
  224   1HB   LEU  33          1HB       LEU  33 -18.858  -0.772   4.567
  225   2HB   LEU  33          2HB       LEU  33 -18.929  -1.128   2.867
  226    HG   LEU  33           HG       LEU  33 -17.198   0.592   4.002
  227   1HD1  LEU  33          1HD1      LEU  33 -16.829   1.470   1.752
  228   2HD1  LEU  33          2HD1      LEU  33 -18.387   0.813   1.249
  229   3HD1  LEU  33          3HD1      LEU  33 -17.094  -0.274   1.755
  230   1HD2  LEU  33          1HD2      LEU  33 -19.103   2.549   2.806
  231   2HD2  LEU  33          2HD2      LEU  33 -17.720   2.822   3.863
  232   3HD2  LEU  33          3HD2      LEU  33 -19.211   2.144   4.519
  233    H    LEU  34           H        LEU  34 -20.302  -1.291   5.747
  234    HA   LEU  34           HA       LEU  34 -21.866   0.254   7.533
  235   1HB   LEU  34          1HB       LEU  34 -21.193  -2.143   7.848
  236   2HB   LEU  34          2HB       LEU  34 -19.562  -1.584   8.172
  237    HG   LEU  34           HG       LEU  34 -20.621  -0.174  10.027
  238   1HD1  LEU  34          1HD1      LEU  34 -22.685  -1.079  10.971
  239   2HD1  LEU  34          2HD1      LEU  34 -22.843  -2.152   9.581
  240   3HD1  LEU  34          3HD1      LEU  34 -22.924  -0.404   9.360
  241   1HD2  LEU  34          1HD2      LEU  34 -20.500  -2.058  11.609
  242   2HD2  LEU  34          2HD2      LEU  34 -19.169  -2.071  10.454
  243   3HD2  LEU  34          3HD2      LEU  34 -20.522  -3.183  10.249
  244    H    LYS  35           H        LYS  35 -18.426   0.033   6.826
  245    HA   LYS  35           HA       LYS  35 -18.088   2.823   7.435
  246   1HB   LYS  35          1HB       LYS  35 -16.044   2.332   8.871
  247   2HB   LYS  35          2HB       LYS  35 -17.602   2.034   9.622
  248   1HG   LYS  35          1HG       LYS  35 -16.272   0.223  10.254
  249   2HG   LYS  35          2HG       LYS  35 -17.287  -0.401   8.953
  250   1HD   LYS  35          1HD       LYS  35 -15.454  -0.108   7.374
  251   2HD   LYS  35          2HD       LYS  35 -14.437   0.551   8.656
  252   1HE   LYS  35          1HE       LYS  35 -15.620  -2.222   8.638
  253   2HE   LYS  35          2HE       LYS  35 -13.977  -1.829   8.138
  254   1HZ   LYS  35          1HZ       LYS  35 -13.680  -0.872  10.427
  255   2HZ   LYS  35          2HZ       LYS  35 -13.849  -2.559  10.348
  256   3HZ   LYS  35          3HZ       LYS  35 -15.155  -1.603  10.848
  257    HA   PRO  36           HA       PRO  36 -15.599   2.929   3.856
  258   1HB   PRO  36          1HB       PRO  36 -13.559   4.286   5.580
  259   2HB   PRO  36          2HB       PRO  36 -14.198   4.776   4.005
  260   1HG   PRO  36          1HG       PRO  36 -15.044   5.980   6.210
  261   2HG   PRO  36          2HG       PRO  36 -16.188   5.578   4.916
  262   1HD   PRO  36          1HD       PRO  36 -15.767   4.252   7.553
  263   2HD   PRO  36          2HD       PRO  36 -17.265   4.486   6.633
  264    HA   PRO  37           HA       PRO  37 -13.188  -0.722   4.043
  265   1HB   PRO  37          1HB       PRO  37 -11.226   0.143   2.217
  266   2HB   PRO  37          2HB       PRO  37 -12.600  -0.919   1.912
  267   1HG   PRO  37          1HG       PRO  37 -12.272   1.915   1.241
  268   2HG   PRO  37          2HG       PRO  37 -13.429   0.734   0.604
  269   1HD   PRO  37          1HD       PRO  37 -14.076   2.801   2.287
  270   2HD   PRO  37          2HD       PRO  37 -15.026   1.306   2.105
  271    H    VAL  38           H        VAL  38 -11.679  -1.357   5.335
  272    HA   VAL  38           HA       VAL  38  -9.680   0.544   6.262
  273    HB   VAL  38           HB       VAL  38 -10.091  -2.128   7.480
  274   1HG1  VAL  38          1HG1      VAL  38  -9.203  -0.998   9.492
  275   2HG1  VAL  38          2HG1      VAL  38  -9.045   0.480   8.543
  276   3HG1  VAL  38          3HG1      VAL  38  -8.101  -0.946   8.116
  277   1HG2  VAL  38          1HG2      VAL  38 -11.618  -1.143   9.146
  278   2HG2  VAL  38          2HG2      VAL  38 -12.301  -1.141   7.521
  279   3HG2  VAL  38          3HG2      VAL  38 -11.642   0.347   8.198
  280    H    VAL  39           H        VAL  39  -8.175   0.376   5.011
  281    HA   VAL  39           HA       VAL  39  -7.102  -2.170   4.127
  282    HB   VAL  39           HB       VAL  39  -6.095   0.437   3.120
  283   1HG1  VAL  39          1HG1      VAL  39  -4.962  -1.608   2.494
  284   2HG1  VAL  39          2HG1      VAL  39  -5.669  -0.818   1.083
  285   3HG1  VAL  39          3HG1      VAL  39  -6.456  -2.229   1.790
  286   1HG2  VAL  39          1HG2      VAL  39  -7.790   0.766   1.523
  287   2HG2  VAL  39          2HG2      VAL  39  -8.639   0.455   3.036
  288   3HG2  VAL  39          3HG2      VAL  39  -8.493  -0.823   1.831
  289    H    LYS  40           H        LYS  40  -5.611  -2.713   5.486
  290    HA   LYS  40           HA       LYS  40  -3.821  -0.750   6.544
  291   1HB   LYS  40          1HB       LYS  40  -3.110  -2.380   8.136
  292   2HB   LYS  40          2HB       LYS  40  -4.838  -2.221   8.176
  293   1HG   LYS  40          1HG       LYS  40  -4.727  -4.474   8.249
  294   2HG   LYS  40          2HG       LYS  40  -4.627  -4.274   6.498
  295   1HD   LYS  40          1HD       LYS  40  -2.245  -4.467   6.525
  296   2HD   LYS  40          2HD       LYS  40  -2.208  -4.412   8.291
  297   1HE   LYS  40          1HE       LYS  40  -3.373  -6.604   6.577
  298   2HE   LYS  40          2HE       LYS  40  -1.876  -6.684   7.499
  299   1HZ   LYS  40          1HZ       LYS  40  -3.524  -7.789   8.756
  300   2HZ   LYS  40          2HZ       LYS  40  -4.642  -6.536   8.549
  301   3HZ   LYS  40          3HZ       LYS  40  -3.283  -6.298   9.528
  302    H    TRP  41           H        TRP  41  -2.115  -0.473   5.835
  303    HA   TRP  41           HA       TRP  41  -0.880  -2.066   3.786
  304   1HB   TRP  41          1HB       TRP  41  -0.176   0.521   5.136
  305   2HB   TRP  41          2HB       TRP  41   0.929  -0.283   4.026
  306    HD1  TRP  41           HD1      TRP  41  -2.580   1.297   4.086
  307    HE1  TRP  41           HE1      TRP  41  -3.061   2.148   1.682
  308    HE3  TRP  41           HE3      TRP  41   1.523  -0.580   1.669
  309    HZ2  TRP  41           HZ2      TRP  41  -1.907   1.954  -0.883
  310    HZ3  TRP  41           HZ3      TRP  41   1.745  -0.217  -0.755
  311    HH2  TRP  41           HH2      TRP  41   0.043   1.038  -1.994
  312    H    PHE  42           H        PHE  42   1.125  -2.837   3.835
  313    HA   PHE  42           HA       PHE  42   2.567  -2.895   6.363
  314   1HB   PHE  42          1HB       PHE  42   1.367  -5.153   5.823
  315   2HB   PHE  42          2HB       PHE  42   2.573  -5.310   4.551
  316    HD1  PHE  42           HD1      PHE  42   4.659  -6.192   5.021
  317    HD2  PHE  42           HD2      PHE  42   2.237  -4.778   8.220
  318    HE1  PHE  42           HE1      PHE  42   6.271  -7.110   6.639
  319    HE2  PHE  42           HE2      PHE  42   3.846  -5.695   9.843
  320    HZ   PHE  42           HZ       PHE  42   5.848  -6.843   9.079
  321    H    LYS  43           H        LYS  43   4.742  -2.623   5.993
  322    HA   LYS  43           HA       LYS  43   5.347  -1.752   3.261
  323   1HB   LYS  43          1HB       LYS  43   5.588  -0.057   5.088
  324   2HB   LYS  43          2HB       LYS  43   6.760  -1.103   5.883
  325   1HG   LYS  43          1HG       LYS  43   8.226  -0.875   3.924
  326   2HG   LYS  43          2HG       LYS  43   7.051   0.227   3.204
  327   1HD   LYS  43          1HD       LYS  43   7.301   1.650   5.270
  328   2HD   LYS  43          2HD       LYS  43   8.673   0.625   5.704
  329   1HE   LYS  43          1HE       LYS  43   8.366   2.271   3.218
  330   2HE   LYS  43          2HE       LYS  43   9.456   2.602   4.557
  331   1HZ   LYS  43          1HZ       LYS  43   9.596   0.396   2.583
  332   2HZ   LYS  43          2HZ       LYS  43  10.493   0.393   4.017
  333   3HZ   LYS  43          3HZ       LYS  43  10.738   1.612   2.872
  334    H    GLY  44           H        GLY  44   7.673  -2.407   2.644
  335   1HA   GLY  44          1HA       GLY  44   8.610  -4.647   2.143
  336   2HA   GLY  44          2HA       GLY  44   9.718  -3.629   3.016
  337    H    LYS  45           H        LYS  45  10.813  -5.643   3.549
  338    HA   LYS  45           HA       LYS  45   9.712  -7.992   4.369
  339   1HB   LYS  45          1HB       LYS  45  12.286  -6.730   4.508
  340   2HB   LYS  45          2HB       LYS  45  12.040  -7.776   5.897
  341   1HG   LYS  45          1HG       LYS  45  11.470  -9.621   4.367
  342   2HG   LYS  45          2HG       LYS  45  11.788  -8.545   3.003
  343   1HD   LYS  45          1HD       LYS  45  13.725  -9.917   3.392
  344   2HD   LYS  45          2HD       LYS  45  14.098  -8.248   3.831
  345   1HE   LYS  45          1HE       LYS  45  13.649  -8.824   6.199
  346   2HE   LYS  45          2HE       LYS  45  13.406 -10.501   5.715
  347   1HZ   LYS  45          1HZ       LYS  45  15.919  -8.968   5.333
  348   2HZ   LYS  45          2HZ       LYS  45  15.675 -10.592   4.935
  349   3HZ   LYS  45          3HZ       LYS  45  15.643 -10.104   6.557
  350    H    TRP  46           H        TRP  46   9.447  -5.198   6.416
  351    HA   TRP  46           HA       TRP  46   8.464  -6.823   8.571
  352   1HB   TRP  46          1HB       TRP  46  10.102  -5.734  10.151
  353   2HB   TRP  46          2HB       TRP  46  10.677  -7.080   9.186
  354    HD1  TRP  46           HD1      TRP  46  12.327  -6.434   7.110
  355    HE1  TRP  46           HE1      TRP  46  13.890  -4.431   6.765
  356    HE3  TRP  46           HE3      TRP  46  10.443  -3.348  10.715
  357    HZ2  TRP  46           HZ2      TRP  46  14.280  -1.844   7.908
  358    HZ3  TRP  46           HZ3      TRP  46  11.458  -1.132  11.032
  359    HH2  TRP  46           HH2      TRP  46  13.333  -0.397   9.656
  360    H    VAL  47           H        VAL  47   8.255  -3.990   7.002
  361    HA   VAL  47           HA       VAL  47   8.274  -2.240   9.219
  362    HB   VAL  47           HB       VAL  47   7.750  -0.862   6.804
  363   1HG1  VAL  47          1HG1      VAL  47  10.201  -1.038   8.523
  364   2HG1  VAL  47          2HG1      VAL  47   8.806  -0.001   8.823
  365   3HG1  VAL  47          3HG1      VAL  47   9.814   0.269   7.401
  366   1HG2  VAL  47          1HG2      VAL  47   8.717  -2.699   5.557
  367   2HG2  VAL  47          2HG2      VAL  47  10.114  -2.733   6.635
  368   3HG2  VAL  47          3HG2      VAL  47   9.844  -1.342   5.579
  369    H    ASP  48           H        ASP  48   6.722  -1.136   9.804
  370    HA   ASP  48           HA       ASP  48   4.014  -1.591   8.859
  371   1HB   ASP  48          1HB       ASP  48   3.548  -0.602  11.157
  372   2HB   ASP  48          2HB       ASP  48   4.119  -2.245  11.064
  373    H    LEU  49           H        LEU  49   3.483   0.029   7.492
  374    HA   LEU  49           HA       LEU  49   4.751   2.485   7.360
  375   1HB   LEU  49          1HB       LEU  49   2.013   1.730   6.369
  376   2HB   LEU  49          2HB       LEU  49   2.768   3.281   6.063
  377    HG   LEU  49           HG       LEU  49   4.686   1.735   5.050
  378   1HD1  LEU  49          1HD1      LEU  49   3.838  -0.135   3.912
  379   2HD1  LEU  49          2HD1      LEU  49   2.184   0.206   4.420
  380   3HD1  LEU  49          3HD1      LEU  49   3.383  -0.336   5.607
  381   1HD2  LEU  49          1HD2      LEU  49   2.113   2.390   3.660
  382   2HD2  LEU  49          2HD2      LEU  49   3.665   2.063   2.889
  383   3HD2  LEU  49          3HD2      LEU  49   3.468   3.497   3.901
  384    H    SER  50           H        SER  50   2.043   1.631   9.389
  385    HA   SER  50           HA       SER  50   0.795   4.086   9.565
  386   1HB   SER  50          1HB       SER  50   0.963   1.920  11.666
  387   2HB   SER  50          2HB       SER  50  -0.299   3.124  11.472
  388    HG   SER  50           HG       SER  50  -1.154   2.029   9.877
  389    H    SER  51           H        SER  51   3.713   2.842  10.840
  390    HA   SER  51           HA       SER  51   3.792   4.855  12.844
  391   1HB   SER  51          1HB       SER  51   5.694   2.596  12.310
  392   2HB   SER  51          2HB       SER  51   5.723   3.660  13.700
  393    HG   SER  51           HG       SER  51   4.396   1.410  13.421
  394    H    LYS  52           H        LYS  52   5.236   3.935   9.889
  395    HA   LYS  52           HA       LYS  52   7.555   5.603  10.231
  396   1HB   LYS  52          1HB       LYS  52   7.180   4.248   7.668
  397   2HB   LYS  52          2HB       LYS  52   8.562   4.244   8.745
  398   1HG   LYS  52          1HG       LYS  52   6.131   2.500   8.834
  399   2HG   LYS  52          2HG       LYS  52   7.791   2.018   8.504
  400   1HD   LYS  52          1HD       LYS  52   7.103   3.241  11.150
  401   2HD   LYS  52          2HD       LYS  52   6.693   1.553  10.839
  402   1HE   LYS  52          1HE       LYS  52   9.097   1.157  10.290
  403   2HE   LYS  52          2HE       LYS  52   9.434   2.814  10.798
  404   1HZ   LYS  52          1HZ       LYS  52   8.133   0.794  12.539
  405   2HZ   LYS  52          2HZ       LYS  52   8.697   2.327  12.995
  406   3HZ   LYS  52          3HZ       LYS  52   9.796   1.111  12.562
  407    H    VAL  53           H        VAL  53   4.789   5.351   8.238
  408    HA   VAL  53           HA       VAL  53   4.956   6.969   6.195
  409    HB   VAL  53           HB       VAL  53   2.672   6.597   8.122
  410   1HG1  VAL  53          1HG1      VAL  53   2.664   8.182   5.556
  411   2HG1  VAL  53          2HG1      VAL  53   2.084   8.690   7.147
  412   3HG1  VAL  53          3HG1      VAL  53   1.211   7.441   6.235
  413   1HG2  VAL  53          1HG2      VAL  53   3.412   4.701   6.812
  414   2HG2  VAL  53          2HG2      VAL  53   3.195   5.637   5.332
  415   3HG2  VAL  53          3HG2      VAL  53   1.800   5.229   6.330
  416    H    GLY  54           H        GLY  54   6.215   8.495   6.284
  417   1HA   GLY  54          1HA       GLY  54   5.229  11.022   7.348
  418   2HA   GLY  54          2HA       GLY  54   6.805  10.524   7.948
  419    H    GLN  55           H        GLN  55   8.576  11.061   6.745
  420    HA   GLN  55           HA       GLN  55   7.931  12.691   4.411
  421   1HB   GLN  55          1HB       GLN  55  10.456  12.602   6.055
  422   2HB   GLN  55          2HB       GLN  55  10.116  13.735   4.754
  423   1HG   GLN  55          1HG       GLN  55   8.433  13.504   7.235
  424   2HG   GLN  55          2HG       GLN  55   9.785  14.618   7.074
  425   1HE2  GLN  55          1HE2      GLN  55   7.680  13.915   4.365
  426   2HE2  GLN  55          2HE2      GLN  55   6.900  15.455   4.337
  427    H    HIS  56           H        HIS  56   9.794   9.809   5.191
  428    HA   HIS  56           HA       HIS  56  10.871   9.804   2.469
  429   1HB   HIS  56          1HB       HIS  56  12.352   8.110   3.125
  430   2HB   HIS  56          2HB       HIS  56  12.245   9.151   4.532
  431    HD1  HIS  56           HD1      HIS  56  11.431   5.744   3.306
  432    HD2  HIS  56           HD2      HIS  56  11.043   7.977   6.788
  433    HE1  HIS  56           HE1      HIS  56  10.706   4.102   5.076
  434    HE2  HIS  56           HE2      HIS  56  10.761   5.439   7.226
  435    H    LEU  57           H        LEU  57   8.692   8.047   4.473
  436    HA   LEU  57           HA       LEU  57   7.498   6.785   2.110
  437   1HB   LEU  57          1HB       LEU  57   8.352   5.053   3.522
  438   2HB   LEU  57          2HB       LEU  57   7.855   5.853   4.972
  439    HG   LEU  57           HG       LEU  57   6.654   3.675   3.613
  440   1HD1  LEU  57          1HD1      LEU  57   5.834   5.255   6.021
  441   2HD1  LEU  57          2HD1      LEU  57   6.910   3.859   5.961
  442   3HD1  LEU  57          3HD1      LEU  57   5.200   3.673   5.567
  443   1HD2  LEU  57          1HD2      LEU  57   5.292   5.196   2.287
  444   2HD2  LEU  57          2HD2      LEU  57   4.798   6.059   3.741
  445   3HD2  LEU  57          3HD2      LEU  57   4.299   4.386   3.498
  446    H    GLN  58           H        GLN  58   6.007   8.403   1.716
  447    HA   GLN  58           HA       GLN  58   4.099   8.986   3.793
  448   1HB   GLN  58          1HB       GLN  58   4.044   9.821   0.876
  449   2HB   GLN  58          2HB       GLN  58   3.092  10.488   2.190
  450   1HG   GLN  58          1HG       GLN  58   4.643  12.092   1.954
  451   2HG   GLN  58          2HG       GLN  58   5.444  11.107   3.155
  452   1HE2  GLN  58          1HE2      GLN  58   7.255   9.957   2.574
  453   2HE2  GLN  58          2HE2      GLN  58   8.115  10.246   1.102
  454    H    LEU  59           H        LEU  59   2.760   7.398   4.036
  455    HA   LEU  59           HA       LEU  59   1.632   5.958   1.792
  456   1HB   LEU  59          1HB       LEU  59   2.166   4.878   4.103
  457   2HB   LEU  59          2HB       LEU  59   0.809   5.789   4.708
  458    HG   LEU  59           HG       LEU  59   0.781   3.456   2.808
  459   1HD1  LEU  59          1HD1      LEU  59   0.807   2.707   4.953
  460   2HD1  LEU  59          2HD1      LEU  59  -0.935   2.850   4.657
  461   3HD1  LEU  59          3HD1      LEU  59  -0.085   4.113   5.574
  462   1HD2  LEU  59          1HD2      LEU  59  -1.621   3.794   2.569
  463   2HD2  LEU  59          2HD2      LEU  59  -0.703   5.137   1.871
  464   3HD2  LEU  59          3HD2      LEU  59  -1.500   5.327   3.440
  465    H    HIS  60           H        HIS  60   0.620   7.524   0.757
  466    HA   HIS  60           HA       HIS  60  -0.926   9.489   2.103
  467   1HB   HIS  60          1HB       HIS  60   0.650   9.470  -0.235
  468   2HB   HIS  60          2HB       HIS  60  -0.994   9.759  -0.736
  469    HD1  HIS  60           HD1      HIS  60  -0.021  12.147  -1.451
  470    HD2  HIS  60           HD2      HIS  60  -0.149  11.376   2.638
  471    HE1  HIS  60           HE1      HIS  60   0.234  14.386  -0.330
  472    HE2  HIS  60           HE2      HIS  60   0.016  13.916   2.137
  473    H    ASP  61           H        ASP  61  -2.754  10.067   1.034
  474    HA   ASP  61           HA       ASP  61  -4.415   7.935   0.106
  475   1HB   ASP  61          1HB       ASP  61  -6.184   8.713   1.676
  476   2HB   ASP  61          2HB       ASP  61  -4.880   7.803   2.400
  477    H    SER  62           H        SER  62  -5.193   8.569  -1.555
  478    HA   SER  62           HA       SER  62  -6.178  11.294  -1.923
  479   1HB   SER  62          1HB       SER  62  -6.404   9.320  -4.111
  480   2HB   SER  62          2HB       SER  62  -6.033  11.033  -4.194
  481    HG   SER  62           HG       SER  62  -4.218   9.112  -3.169
  482    H    TYR  63           H        TYR  63  -8.364  11.596  -2.338
  483    HA   TYR  63           HA       TYR  63 -10.038   9.299  -1.925
  484   1HB   TYR  63          1HB       TYR  63  -9.926   9.870   0.260
  485   2HB   TYR  63          2HB       TYR  63  -9.782  11.590  -0.046
  486    HD1  TYR  63           HD1      TYR  63 -11.566  12.756   0.889
  487    HD2  TYR  63           HD2      TYR  63 -12.304   8.964  -0.881
  488    HE1  TYR  63           HE1      TYR  63 -13.962  12.998   1.381
  489    HE2  TYR  63           HE2      TYR  63 -14.699   9.190  -0.394
  490    HH   TYR  63           HH       TYR  63 -16.165  10.383   1.092
  491    H    ASP  64           H        ASP  64 -10.881   9.346  -3.784
  492    HA   ASP  64           HA       ASP  64 -12.383  11.724  -4.566
  493   1HB   ASP  64          1HB       ASP  64 -11.265   9.453  -6.128
  494   2HB   ASP  64          2HB       ASP  64 -12.308  10.661  -6.794
  495    H    ARG  65           H        ARG  65 -14.304  11.450  -3.819
  496    HA   ARG  65           HA       ARG  65 -15.592   8.934  -3.513
  497   1HB   ARG  65          1HB       ARG  65 -15.953  11.497  -2.494
  498   2HB   ARG  65          2HB       ARG  65 -17.389  11.209  -3.473
  499   1HG   ARG  65          1HG       ARG  65 -16.345   9.525  -1.231
  500   2HG   ARG  65          2HG       ARG  65 -17.830  10.485  -1.251
  501   1HD   ARG  65          1HD       ARG  65 -17.703   8.704  -3.504
  502   2HD   ARG  65          2HD       ARG  65 -17.541   7.809  -1.990
  503    HE   ARG  65           HE       ARG  65 -19.663   9.154  -1.363
  504   1HH1  ARG  65          1HH1      ARG  65 -18.898   8.056  -4.591
  505   2HH1  ARG  65          2HH1      ARG  65 -20.550   7.718  -5.020
  506   1HH2  ARG  65          1HH2      ARG  65 -21.842   8.711  -1.896
  507   2HH2  ARG  65          2HH2      ARG  65 -22.233   8.052  -3.455
  508    H    ALA  66           H        ALA  66 -15.536  11.408  -5.900
  509    HA   ALA  66           HA       ALA  66 -17.831  10.731  -7.352
  510   1HB   ALA  66          1HB       ALA  66 -16.709  12.856  -7.668
  511   2HB   ALA  66          2HB       ALA  66 -16.819  11.987  -9.198
  512   3HB   ALA  66          3HB       ALA  66 -15.293  12.028  -8.313
  513    H    SER  67           H        SER  67 -14.565   9.541  -7.432
  514    HA   SER  67           HA       SER  67 -15.287   7.639  -9.520
  515   1HB   SER  67          1HB       SER  67 -12.834   7.085  -9.507
  516   2HB   SER  67          2HB       SER  67 -13.210   8.746  -9.965
  517    HG   SER  67           HG       SER  67 -11.468   8.429  -8.378
  518    H    LYS  68           H        LYS  68 -15.046   7.942  -6.188
  519    HA   LYS  68           HA       LYS  68 -15.519   6.482  -4.498
  520   1HB   LYS  68          1HB       LYS  68 -17.195   5.608  -6.140
  521   2HB   LYS  68          2HB       LYS  68 -15.973   4.490  -6.722
  522   1HG   LYS  68          1HG       LYS  68 -15.890   3.550  -4.391
  523   2HG   LYS  68          2HG       LYS  68 -17.308   4.539  -4.038
  524   1HD   LYS  68          1HD       LYS  68 -18.677   3.159  -5.130
  525   2HD   LYS  68          2HD       LYS  68 -17.566   2.998  -6.494
  526   1HE   LYS  68          1HE       LYS  68 -16.207   1.445  -5.089
  527   2HE   LYS  68          2HE       LYS  68 -17.479   1.510  -3.870
  528   1HZ   LYS  68          1HZ       LYS  68 -17.948   0.674  -6.682
  529   2HZ   LYS  68          2HZ       LYS  68 -19.008   0.519  -5.371
  530   3HZ   LYS  68          3HZ       LYS  68 -17.598  -0.417  -5.440
  531    H    VAL  69           H        VAL  69 -12.869   6.880  -5.523
  532    HA   VAL  69           HA       VAL  69 -11.655   4.333  -4.723
  533    HB   VAL  69           HB       VAL  69 -10.231   6.259  -6.513
  534   1HG1  VAL  69          1HG1      VAL  69  -8.875   4.622  -5.399
  535   2HG1  VAL  69          2HG1      VAL  69  -8.935   4.255  -7.126
  536   3HG1  VAL  69          3HG1      VAL  69  -9.906   3.319  -5.987
  537   1HG2  VAL  69          1HG2      VAL  69 -11.913   3.950  -7.489
  538   2HG2  VAL  69          2HG2      VAL  69 -10.868   4.969  -8.481
  539   3HG2  VAL  69          3HG2      VAL  69 -12.295   5.657  -7.706
  540    H    TYR  70           H        TYR  70 -10.559   4.566  -2.942
  541    HA   TYR  70           HA       TYR  70  -9.227   7.082  -2.365
  542   1HB   TYR  70          1HB       TYR  70  -8.863   4.588  -0.747
  543   2HB   TYR  70          2HB       TYR  70  -8.578   6.236  -0.269
  544    HD1  TYR  70           HD1      TYR  70 -10.899   3.525  -0.200
  545    HD2  TYR  70           HD2      TYR  70 -10.574   7.755   0.076
  546    HE1  TYR  70           HE1      TYR  70 -13.126   3.626   0.844
  547    HE2  TYR  70           HE2      TYR  70 -12.786   7.863   1.130
  548    HH   TYR  70           HH       TYR  70 -14.398   5.163   2.333
  549    H    LEU  71           H        LEU  71  -7.393   7.277  -3.326
  550    HA   LEU  71           HA       LEU  71  -5.889   4.892  -4.011
  551   1HB   LEU  71          1HB       LEU  71  -5.925   6.402  -5.868
  552   2HB   LEU  71          2HB       LEU  71  -5.474   7.761  -4.840
  553    HG   LEU  71           HG       LEU  71  -3.281   6.688  -4.418
  554   1HD1  LEU  71          1HD1      LEU  71  -4.224   4.678  -6.452
  555   2HD1  LEU  71          2HD1      LEU  71  -3.894   4.379  -4.743
  556   3HD1  LEU  71          3HD1      LEU  71  -2.578   4.811  -5.839
  557   1HD2  LEU  71          1HD2      LEU  71  -3.460   8.352  -6.171
  558   2HD2  LEU  71          2HD2      LEU  71  -3.916   7.106  -7.333
  559   3HD2  LEU  71          3HD2      LEU  71  -2.304   7.097  -6.611
  560    H    PHE  72           H        PHE  72  -5.001   4.252  -2.262
  561    HA   PHE  72           HA       PHE  72  -3.534   6.022  -0.559
  562   1HB   PHE  72          1HB       PHE  72  -3.761   3.049  -0.711
  563   2HB   PHE  72          2HB       PHE  72  -2.789   3.866   0.492
  564    HD1  PHE  72           HD1      PHE  72  -6.091   2.797  -0.473
  565    HD2  PHE  72           HD2      PHE  72  -3.926   5.297   2.211
  566    HE1  PHE  72           HE1      PHE  72  -8.075   2.956   0.974
  567    HE2  PHE  72           HE2      PHE  72  -5.912   5.458   3.658
  568    HZ   PHE  72           HZ       PHE  72  -7.963   4.297   3.076
  569    H    GLU  73           H        GLU  73  -1.795   6.751  -1.257
  570    HA   GLU  73           HA       GLU  73  -0.228   5.318  -3.259
  571   1HB   GLU  73          1HB       GLU  73   0.599   7.634  -3.936
  572   2HB   GLU  73          2HB       GLU  73  -1.009   7.153  -4.431
  573   1HG   GLU  73          1HG       GLU  73  -2.043   8.587  -2.894
  574   2HG   GLU  73          2HG       GLU  73  -0.572   8.762  -1.943
  575    H    LEU  74           H        LEU  74   1.622   4.789  -2.709
  576    HA   LEU  74           HA       LEU  74   2.808   5.883  -0.318
  577   1HB   LEU  74          1HB       LEU  74   3.784   3.683  -2.110
  578   2HB   LEU  74          2HB       LEU  74   4.508   4.139  -0.586
  579    HG   LEU  74           HG       LEU  74   2.228   2.433  -1.157
  580   1HD1  LEU  74          1HD1      LEU  74   4.210   1.606  -0.131
  581   2HD1  LEU  74          2HD1      LEU  74   2.865   1.486   1.006
  582   3HD1  LEU  74          3HD1      LEU  74   4.056   2.782   1.173
  583   1HD2  LEU  74          1HD2      LEU  74   0.976   2.998   0.876
  584   2HD2  LEU  74          2HD2      LEU  74   0.959   4.317  -0.301
  585   3HD2  LEU  74          3HD2      LEU  74   2.023   4.403   1.107
  586    H    HIS  75           H        HIS  75   4.305   7.195  -0.391
  587    HA   HIS  75           HA       HIS  75   5.929   7.409  -2.826
  588   1HB   HIS  75          1HB       HIS  75   5.266   9.607  -0.832
  589   2HB   HIS  75          2HB       HIS  75   6.502   9.743  -2.072
  590    HD1  HIS  75           HD1      HIS  75   5.629  11.356  -3.719
  591    HD2  HIS  75           HD2      HIS  75   2.701   8.676  -2.492
  592    HE1  HIS  75           HE1      HIS  75   3.591  11.909  -5.080
  593    HE2  HIS  75           HE2      HIS  75   1.773  10.453  -4.124
  594    H    ILE  76           H        ILE  76   7.312   5.913  -2.172
  595    HA   ILE  76           HA       ILE  76   8.543   6.378   0.445
  596    HB   ILE  76           HB       ILE  76   8.158   3.783  -0.976
  597   1HG1  ILE  76          1HG1      ILE  76   6.743   5.006   1.397
  598   2HG1  ILE  76          2HG1      ILE  76   6.012   4.391  -0.110
  599   1HG2  ILE  76          1HG2      ILE  76   9.063   2.738   1.043
  600   2HG2  ILE  76          2HG2      ILE  76   9.327   4.331   1.744
  601   3HG2  ILE  76          3HG2      ILE  76  10.242   3.835   0.314
  602   1HD1  ILE  76          1HD1      ILE  76   6.615   2.129   0.527
  603   2HD1  ILE  76          2HD1      ILE  76   5.609   2.905   1.751
  604   3HD1  ILE  76          3HD1      ILE  76   7.343   2.730   2.016
  605    H    THR  77           H        THR  77  10.263   7.366  -0.080
  606    HA   THR  77           HA       THR  77  11.789   6.550  -2.338
  607    HB   THR  77           HB       THR  77  12.858   8.743  -2.201
  608    HG1  THR  77           HG1      THR  77  12.621   9.230  -0.013
  609   1HG2  THR  77          1HG2      THR  77  10.804   8.300  -3.549
  610   2HG2  THR  77          2HG2      THR  77  11.015   9.994  -3.083
  611   3HG2  THR  77          3HG2      THR  77   9.857   8.979  -2.220
  612    H    ASP  78           H        ASP  78  13.897   6.861  -2.142
  613    HA   ASP  78           HA       ASP  78  15.812   5.859  -1.548
  614   1HB   ASP  78          1HB       ASP  78  16.967   7.019   0.180
  615   2HB   ASP  78          2HB       ASP  78  16.195   8.080  -0.960
  616    H    ALA  79           H        ALA  79  14.936   4.032  -1.313
  617    HA   ALA  79           HA       ALA  79  13.997   2.848   1.069
  618   1HB   ALA  79          1HB       ALA  79  14.177   0.737  -0.202
  619   2HB   ALA  79          2HB       ALA  79  15.032   1.609  -1.481
  620   3HB   ALA  79          3HB       ALA  79  13.353   2.004  -1.108
  621    H    GLN  80           H        GLN  80  15.256   2.557   2.796
  622    HA   GLN  80           HA       GLN  80  17.946   2.001   3.012
  623   1HB   GLN  80          1HB       GLN  80  16.869   2.209   5.058
  624   2HB   GLN  80          2HB       GLN  80  15.495   1.238   4.556
  625   1HG   GLN  80          1HG       GLN  80  16.406  -0.235   5.982
  626   2HG   GLN  80          2HG       GLN  80  17.364  -0.663   4.567
  627   1HE2  GLN  80          1HE2      GLN  80  18.895   1.884   4.786
  628   2HE2  GLN  80          2HE2      GLN  80  20.015   1.617   6.074
  629    HA   PRO  81           HA       PRO  81  18.460  -1.664   0.561
  630   1HB   PRO  81          1HB       PRO  81  20.660  -2.721   1.857
  631   2HB   PRO  81          2HB       PRO  81  20.732  -1.441   0.643
  632   1HG   PRO  81          1HG       PRO  81  20.758  -1.230   3.623
  633   2HG   PRO  81          2HG       PRO  81  21.726  -0.343   2.429
  634   1HD   PRO  81          1HD       PRO  81  19.609   0.793   3.606
  635   2HD   PRO  81          2HD       PRO  81  19.973   1.093   1.894
  636    H    ALA  82           H        ALA  82  17.885  -1.725   3.930
  637    HA   ALA  82           HA       ALA  82  17.457  -4.610   3.963
  638   1HB   ALA  82          1HB       ALA  82  17.220  -2.602   6.201
  639   2HB   ALA  82          2HB       ALA  82  18.640  -3.590   5.856
  640   3HB   ALA  82          3HB       ALA  82  17.133  -4.355   6.358
  641    H    PHE  83           H        PHE  83  15.741  -2.327   2.623
  642    HA   PHE  83           HA       PHE  83  13.212  -2.928   3.930
  643   1HB   PHE  83          1HB       PHE  83  14.166  -0.876   2.004
  644   2HB   PHE  83          2HB       PHE  83  12.492  -1.368   1.894
  645    HD1  PHE  83           HD1      PHE  83  12.257  -1.829   5.005
  646    HD2  PHE  83           HD2      PHE  83  13.639   1.375   2.566
  647    HE1  PHE  83           HE1      PHE  83  11.691  -0.232   6.783
  648    HE2  PHE  83           HE2      PHE  83  13.068   2.976   4.346
  649    HZ   PHE  83           HZ       PHE  83  12.108   2.172   6.461
  650    H    THR  84           H        THR  84  15.156  -4.039   1.421
  651    HA   THR  84           HA       THR  84  13.589  -5.022  -0.510
  652    HB   THR  84           HB       THR  84  15.790  -6.556   0.873
  653    HG1  THR  84           HG1      THR  84  16.975  -5.177  -0.222
  654   1HG2  THR  84          1HG2      THR  84  15.676  -8.122  -0.895
  655   2HG2  THR  84          2HG2      THR  84  14.625  -7.072  -1.849
  656   3HG2  THR  84          3HG2      THR  84  13.995  -7.852  -0.391
  657    H    GLY  85           H        GLY  85  11.751  -5.505  -0.035
  658   1HA   GLY  85          1HA       GLY  85  11.212  -8.097   1.117
  659   2HA   GLY  85          2HA       GLY  85  10.729  -6.802   2.195
  660    H    GLY  86           H        GLY  86   8.672  -6.516   2.115
  661   1HA   GLY  86          1HA       GLY  86   7.313  -6.437  -0.399
  662   2HA   GLY  86          2HA       GLY  86   6.923  -7.822   0.588
  663    H    TYR  87           H        TYR  87   6.077  -4.929  -0.286
  664    HA   TYR  87           HA       TYR  87   4.819  -3.933   2.120
  665   1HB   TYR  87          1HB       TYR  87   4.650  -3.062  -0.787
  666   2HB   TYR  87          2HB       TYR  87   4.001  -2.179   0.588
  667    HD1  TYR  87           HD1      TYR  87   7.288  -3.722  -0.321
  668    HD2  TYR  87           HD2      TYR  87   5.278  -0.278   1.172
  669    HE1  TYR  87           HE1      TYR  87   9.430  -2.548  -0.093
  670    HE2  TYR  87           HE2      TYR  87   7.412   0.879   1.399
  671    HH   TYR  87           HH       TYR  87   9.818   0.272   1.671
  672    H    ARG  88           H        ARG  88   2.681  -4.260   2.583
  673    HA   ARG  88           HA       ARG  88   1.207  -6.006   0.723
  674   1HB   ARG  88          1HB       ARG  88   1.024  -6.004   3.747
  675   2HB   ARG  88          2HB       ARG  88   0.111  -7.030   2.657
  676   1HG   ARG  88          1HG       ARG  88   2.178  -8.124   1.958
  677   2HG   ARG  88          2HG       ARG  88   3.085  -7.091   3.068
  678   1HD   ARG  88          1HD       ARG  88   1.769  -7.975   4.947
  679   2HD   ARG  88          2HD       ARG  88   0.910  -9.039   3.837
  680    HE   ARG  88           HE       ARG  88   3.824  -9.261   4.009
  681   1HH1  ARG  88          1HH1      ARG  88   0.650 -10.564   4.772
  682   2HH1  ARG  88          2HH1      ARG  88   1.246 -12.161   5.124
  683   1HH2  ARG  88          1HH2      ARG  88   4.613 -11.359   4.483
  684   2HH2  ARG  88          2HH2      ARG  88   3.508 -12.606   4.961
  685    H    CYS  89           H        CYS  89  -1.009  -5.679   0.555
  686    HA   CYS  89           HA       CYS  89  -2.177  -3.641   2.312
  687   1HB   CYS  89          1HB       CYS  89  -2.973  -4.078  -0.562
  688   2HB   CYS  89          2HB       CYS  89  -3.743  -2.973   0.556
  689    HG   CYS  89           HG       CYS  89  -0.760  -1.981   0.695
  690    H    GLU  90           H        GLU  90  -3.865  -4.327   3.332
  691    HA   GLU  90           HA       GLU  90  -5.279  -6.697   2.362
  692   1HB   GLU  90          1HB       GLU  90  -3.667  -7.411   4.088
  693   2HB   GLU  90          2HB       GLU  90  -4.313  -6.204   5.188
  694   1HG   GLU  90          1HG       GLU  90  -6.475  -7.387   5.168
  695   2HG   GLU  90          2HG       GLU  90  -5.758  -8.622   4.131
  696    H    VAL  91           H        VAL  91  -7.196  -5.763   1.877
  697    HA   VAL  91           HA       VAL  91  -8.167  -3.673   3.675
  698    HB   VAL  91           HB       VAL  91  -8.075  -2.939   1.406
  699   1HG1  VAL  91          1HG1      VAL  91  -8.218  -5.139   0.306
  700   2HG1  VAL  91          2HG1      VAL  91  -9.316  -3.958  -0.404
  701   3HG1  VAL  91          3HG1      VAL  91  -9.937  -5.198   0.687
  702   1HG2  VAL  91          1HG2      VAL  91 -10.898  -3.416   2.351
  703   2HG2  VAL  91          2HG2      VAL  91 -10.461  -2.308   1.052
  704   3HG2  VAL  91          3HG2      VAL  91  -9.876  -2.020   2.689
  705    H    SER  92           H        SER  92  -9.947  -3.774   4.724
  706    HA   SER  92           HA       SER  92 -11.589  -6.194   4.528
  707   1HB   SER  92          1HB       SER  92  -9.895  -6.489   6.339
  708   2HB   SER  92          2HB       SER  92 -10.541  -5.057   7.134
  709    HG   SER  92           HG       SER  92 -12.015  -7.407   6.535
  710    H    THR  93           H        THR  93 -13.466  -5.402   3.950
  711    HA   THR  93           HA       THR  93 -14.601  -3.161   5.489
  712    HB   THR  93           HB       THR  93 -15.386  -3.489   2.669
  713    HG1  THR  93           HG1      THR  93 -12.975  -3.552   2.855
  714   1HG2  THR  93          1HG2      THR  93 -16.377  -1.803   4.166
  715   2HG2  THR  93          2HG2      THR  93 -15.568  -1.086   2.771
  716   3HG2  THR  93          3HG2      THR  93 -14.779  -1.073   4.348
  717    H    LYS  94           H        LYS  94 -16.855  -3.262   5.661
  718    HA   LYS  94           HA       LYS  94 -18.584  -4.640   6.452
  719   1HB   LYS  94          1HB       LYS  94 -19.947  -5.039   4.176
  720   2HB   LYS  94          2HB       LYS  94 -19.830  -3.496   4.995
  721   1HG   LYS  94          1HG       LYS  94 -19.438  -2.974   2.771
  722   2HG   LYS  94          2HG       LYS  94 -17.822  -3.048   3.456
  723   1HD   LYS  94          1HD       LYS  94 -18.033  -4.096   1.229
  724   2HD   LYS  94          2HD       LYS  94 -17.447  -5.193   2.478
  725   1HE   LYS  94          1HE       LYS  94 -19.170  -6.134   0.907
  726   2HE   LYS  94          2HE       LYS  94 -19.524  -6.288   2.625
  727   1HZ   LYS  94          1HZ       LYS  94 -21.001  -4.376   2.466
  728   2HZ   LYS  94          2HZ       LYS  94 -21.470  -5.602   1.398
  729   3HZ   LYS  94          3HZ       LYS  94 -20.666  -4.230   0.813
  730    H    ASP  95           H        ASP  95 -17.800  -6.158   3.404
  731    HA   ASP  95           HA       ASP  95 -17.662  -8.765   4.545
  732   1HB   ASP  95          1HB       ASP  95 -20.109  -8.000   4.014
  733   2HB   ASP  95          2HB       ASP  95 -19.655  -8.348   2.361
  734    H    LYS  96           H        LYS  96 -16.519  -6.512   2.479
  735    HA   LYS  96           HA       LYS  96 -15.872  -8.394   0.370
  736   1HB   LYS  96          1HB       LYS  96 -16.271  -5.495   0.205
  737   2HB   LYS  96          2HB       LYS  96 -14.707  -5.978  -0.370
  738   1HG   LYS  96          1HG       LYS  96 -17.006  -7.564  -1.307
  739   2HG   LYS  96          2HG       LYS  96 -16.855  -5.914  -1.920
  740   1HD   LYS  96          1HD       LYS  96 -14.973  -6.385  -3.112
  741   2HD   LYS  96          2HD       LYS  96 -14.384  -7.550  -1.925
  742   1HE   LYS  96          1HE       LYS  96 -14.940  -8.661  -4.009
  743   2HE   LYS  96          2HE       LYS  96 -16.011  -9.181  -2.716
  744   1HZ   LYS  96          1HZ       LYS  96 -17.662  -7.555  -3.611
  745   2HZ   LYS  96          2HZ       LYS  96 -17.314  -8.862  -4.626
  746   3HZ   LYS  96          3HZ       LYS  96 -16.644  -7.343  -4.955
  747    H    PHE  97           H        PHE  97 -13.943  -9.147   0.238
  748    HA   PHE  97           HA       PHE  97 -11.798  -7.953   1.859
  749   1HB   PHE  97          1HB       PHE  97 -12.909  -9.966   2.892
  750   2HB   PHE  97          2HB       PHE  97 -12.249 -10.915   1.571
  751    HD1  PHE  97           HD1      PHE  97 -11.382  -8.860   4.498
  752    HD2  PHE  97           HD2      PHE  97  -9.978 -11.593   1.558
  753    HE1  PHE  97           HE1      PHE  97  -9.284  -9.130   5.757
  754    HE2  PHE  97           HE2      PHE  97  -7.878 -11.867   2.807
  755    HZ   PHE  97           HZ       PHE  97  -7.530 -10.634   4.915
  756    H    ASP  98           H        ASP  98  -9.756  -8.100   1.073
  757    HA   ASP  98           HA       ASP  98  -8.932  -9.849  -0.994
  758   1HB   ASP  98          1HB       ASP  98 -10.349  -7.918  -2.163
  759   2HB   ASP  98          2HB       ASP  98  -8.842  -7.026  -1.986
  760    H    CYS  99           H        CYS  99  -6.657  -9.223  -1.726
  761    HA   CYS  99           HA       CYS  99  -5.213  -7.451   0.032
  762   1HB   CYS  99          1HB       CYS  99  -3.745  -9.261   0.917
  763   2HB   CYS  99          2HB       CYS  99  -5.401  -9.361   1.502
  764    HG   CYS  99           HG       CYS  99  -5.662 -11.839   0.887
  765    H    SER 100           H        SER 100  -2.986  -7.280  -0.529
  766    HA   SER 100           HA       SER 100  -2.327  -8.376  -3.178
  767   1HB   SER 100          1HB       SER 100  -1.463  -6.085  -3.792
  768   2HB   SER 100          2HB       SER 100  -3.206  -6.201  -3.643
  769    HG   SER 100           HG       SER 100  -1.551  -4.585  -2.344
  770    H    ASN 101           H        ASN 101  -0.123  -8.626  -3.603
  771    HA   ASN 101           HA       ASN 101   1.685  -8.010  -1.385
  772   1HB   ASN 101          1HB       ASN 101   2.849 -10.101  -1.620
  773   2HB   ASN 101          2HB       ASN 101   1.146 -10.443  -1.384
  774   1HD2  ASN 101          1HD2      ASN 101   0.407  -9.915  -4.188
  775   2HD2  ASN 101          2HD2      ASN 101   1.025 -11.246  -5.094
  776    H    PHE 102           H        PHE 102   3.348  -6.793  -1.982
  777    HA   PHE 102           HA       PHE 102   4.321  -6.935  -4.721
  778   1HB   PHE 102          1HB       PHE 102   4.299  -4.284  -4.567
  779   2HB   PHE 102          2HB       PHE 102   2.928  -5.189  -5.190
  780    HD1  PHE 102           HD1      PHE 102   3.935  -2.686  -2.953
  781    HD2  PHE 102           HD2      PHE 102   1.128  -5.837  -3.390
  782    HE1  PHE 102           HE1      PHE 102   2.483  -1.613  -1.296
  783    HE2  PHE 102           HE2      PHE 102  -0.341  -4.761  -1.752
  784    HZ   PHE 102           HZ       PHE 102   0.346  -2.669  -0.676
  785    H    ASN 103           H        ASN 103   6.464  -7.057  -4.665
  786    HA   ASN 103           HA       ASN 103   7.727  -6.509  -2.128
  787   1HB   ASN 103          1HB       ASN 103   9.495  -8.048  -3.222
  788   2HB   ASN 103          2HB       ASN 103   8.039  -8.744  -2.569
  789   1HD2  ASN 103          1HD2      ASN 103   7.948 -10.494  -3.808
  790   2HD2  ASN 103          2HD2      ASN 103   7.800 -10.479  -5.521
  791    H    LEU 104           H        LEU 104   9.633  -5.548  -1.992
  792    HA   LEU 104           HA       LEU 104  10.443  -3.933  -4.311
  793   1HB   LEU 104          1HB       LEU 104   9.812  -2.216  -2.982
  794   2HB   LEU 104          2HB       LEU 104  10.009  -3.115  -1.490
  795    HG   LEU 104           HG       LEU 104  12.526  -2.681  -2.662
  796   1HD1  LEU 104          1HD1      LEU 104  10.879  -0.188  -2.452
  797   2HD1  LEU 104          2HD1      LEU 104  11.488  -0.910  -3.943
  798   3HD1  LEU 104          3HD1      LEU 104  12.618  -0.258  -2.754
  799   1HD2  LEU 104          1HD2      LEU 104  12.205  -2.963  -0.303
  800   2HD2  LEU 104          2HD2      LEU 104  11.203  -1.511  -0.238
  801   3HD2  LEU 104          3HD2      LEU 104  12.925  -1.379  -0.605
  802    H    THR 105           H        THR 105  12.342  -4.414  -5.020
  803    HA   THR 105           HA       THR 105  14.258  -5.635  -3.166
  804    HB   THR 105           HB       THR 105  14.708  -5.335  -6.125
  805    HG1  THR 105           HG1      THR 105  13.764  -7.372  -6.413
  806   1HG2  THR 105          1HG2      THR 105  15.693  -7.359  -4.112
  807   2HG2  THR 105          2HG2      THR 105  16.592  -5.935  -4.634
  808   3HG2  THR 105          3HG2      THR 105  16.208  -7.213  -5.791
  809    H    VAL 106           H        VAL 106  15.018  -3.864  -2.089
  810    HA   VAL 106           HA       VAL 106  15.924  -1.584  -3.540
  811    HB   VAL 106           HB       VAL 106  15.110  -1.126  -1.327
  812   1HG1  VAL 106          1HG1      VAL 106  17.209  -2.985  -0.322
  813   2HG1  VAL 106          2HG1      VAL 106  15.464  -3.264  -0.343
  814   3HG1  VAL 106          3HG1      VAL 106  16.143  -1.979   0.666
  815   1HG2  VAL 106          1HG2      VAL 106  17.013   0.081  -0.385
  816   2HG2  VAL 106          2HG2      VAL 106  16.899   0.295  -2.135
  817   3HG2  VAL 106          3HG2      VAL 106  18.093  -0.816  -1.453
  818    H    HIS 107           H        HIS 107  17.575  -1.493  -4.510
  819    HA   HIS 107           HA       HIS 107  19.579  -3.534  -4.557
  820   1HB   HIS 107          1HB       HIS 107  18.997  -1.123  -6.249
  821   2HB   HIS 107          2HB       HIS 107  20.527  -1.975  -6.401
  822    HD1  HIS 107           HD1      HIS 107  20.419  -3.267  -8.456
  823    HD2  HIS 107           HD2      HIS 107  16.843  -3.480  -6.342
  824    HE1  HIS 107           HE1      HIS 107  18.940  -4.787  -9.777
  825    HE2  HIS 107           HE2      HIS 107  16.804  -4.981  -8.462
  826    H    GLU 108           H        GLU 108  20.705  -3.327  -2.791
  827    HA   GLU 108           HA       GLU 108  22.006  -0.985  -1.907
  828   1HB   GLU 108          1HB       GLU 108  21.672  -3.087  -0.561
  829   2HB   GLU 108          2HB       GLU 108  22.952  -3.830  -1.511
  830   1HG   GLU 108          1HG       GLU 108  24.564  -2.267  -0.668
  831   2HG   GLU 108          2HG       GLU 108  23.299  -1.338   0.140
  832    H    ALA 109           H        ALA 109  23.537  -3.831  -3.385
  833    HA   ALA 109           HA       ALA 109  25.308  -4.094  -4.777
  834   1HB   ALA 109          1HB       ALA 109  24.267  -1.551  -6.023
  835   2HB   ALA 109          2HB       ALA 109  23.657  -3.173  -6.352
  836   3HB   ALA 109          3HB       ALA 109  25.311  -2.745  -6.792
  837    H    MET 110           H        MET 110  25.592  -2.214  -2.362
  838    HA   MET 110           HA       MET 110  27.709  -0.425  -3.182
  839   1HB   MET 110          1HB       MET 110  26.107   0.219  -1.414
  840   2HB   MET 110          2HB       MET 110  26.685  -1.108  -0.419
  841   1HG   MET 110          1HG       MET 110  28.867  -0.086  -0.256
  842   2HG   MET 110          2HG       MET 110  28.375   1.201  -1.358
  843   1HE   MET 110          1HE       MET 110  29.686   1.755   1.532
  844   2HE   MET 110          2HE       MET 110  28.674   3.108   2.043
  845   3HE   MET 110          3HE       MET 110  29.221   2.995   0.370
  Start of MODEL    3
    1    H    ASP   1           H        ASP   1 -18.837 -12.258   0.291
    2    HA   ASP   1           HA       ASP   1 -17.702  -9.509   0.313
    3   1HB   ASP   1          1HB       ASP   1 -17.081 -11.776  -1.590
    4   2HB   ASP   1          2HB       ASP   1 -16.525 -10.108  -1.708
    5    H    ASP   2           H        ASP   2 -19.196  -8.254  -0.250
    6    HA   ASP   2           HA       ASP   2 -21.334  -9.003  -2.045
    7   1HB   ASP   2          1HB       ASP   2 -20.635  -6.691  -0.269
    8   2HB   ASP   2          2HB       ASP   2 -21.936  -6.565  -1.430
    9    HA   PRO   3           HA       PRO   3 -19.620  -6.923  -5.574
   10   1HB   PRO   3          1HB       PRO   3 -21.995  -5.259  -6.014
   11   2HB   PRO   3          2HB       PRO   3 -21.337  -6.562  -7.004
   12   1HG   PRO   3          1HG       PRO   3 -23.626  -6.841  -5.603
   13   2HG   PRO   3          2HG       PRO   3 -22.513  -8.193  -5.877
   14   1HD   PRO   3          1HD       PRO   3 -22.867  -6.496  -3.437
   15   2HD   PRO   3          2HD       PRO   3 -22.615  -8.251  -3.559
   16    H    ILE   4           H        ILE   4 -18.120  -5.790  -4.254
   17    HA   ILE   4           HA       ILE   4 -18.573  -2.874  -4.034
   18    HB   ILE   4           HB       ILE   4 -16.762  -4.780  -2.552
   19   1HG1  ILE   4          1HG1      ILE   4 -17.670  -3.527  -0.585
   20   2HG1  ILE   4          2HG1      ILE   4 -18.676  -2.595  -1.686
   21   1HG2  ILE   4          1HG2      ILE   4 -16.439  -1.776  -2.607
   22   2HG2  ILE   4          2HG2      ILE   4 -15.311  -2.961  -3.277
   23   3HG2  ILE   4          3HG2      ILE   4 -15.592  -2.897  -1.539
   24   1HD1  ILE   4          1HD1      ILE   4 -19.928  -4.358  -0.627
   25   2HD1  ILE   4          2HD1      ILE   4 -18.792  -5.557  -1.254
   26   3HD1  ILE   4          3HD1      ILE   4 -19.810  -4.635  -2.366
   27    H    GLY   5           H        GLY   5 -15.865  -5.087  -4.441
   28   1HA   GLY   5          1HA       GLY   5 -14.316  -5.140  -6.248
   29   2HA   GLY   5          2HA       GLY   5 -14.997  -3.622  -6.824
   30    H    LEU   6           H        LEU   6 -14.178  -4.447  -3.614
   31    HA   LEU   6           HA       LEU   6 -13.122  -2.236  -2.601
   32   1HB   LEU   6          1HB       LEU   6 -13.404  -4.786  -1.822
   33   2HB   LEU   6          2HB       LEU   6 -11.663  -4.736  -1.982
   34    HG   LEU   6           HG       LEU   6 -11.513  -3.020  -0.311
   35   1HD1  LEU   6          1HD1      LEU   6 -13.340  -2.009   0.772
   36   2HD1  LEU   6          2HD1      LEU   6 -14.481  -3.132   0.045
   37   3HD1  LEU   6          3HD1      LEU   6 -13.697  -1.903  -0.953
   38   1HD2  LEU   6          1HD2      LEU   6 -11.645  -5.361   0.345
   39   2HD2  LEU   6          2HD2      LEU   6 -13.389  -5.182   0.543
   40   3HD2  LEU   6          3HD2      LEU   6 -12.282  -4.276   1.580
   41    H    PHE   7           H        PHE   7 -11.187  -4.745  -4.182
   42    HA   PHE   7           HA       PHE   7  -8.954  -2.960  -4.396
   43   1HB   PHE   7          1HB       PHE   7  -9.348  -5.770  -4.448
   44   2HB   PHE   7          2HB       PHE   7  -8.517  -5.287  -5.930
   45    HD1  PHE   7           HD1      PHE   7  -8.111  -3.286  -2.909
   46    HD2  PHE   7           HD2      PHE   7  -6.518  -6.479  -5.231
   47    HE1  PHE   7           HE1      PHE   7  -5.990  -3.116  -1.676
   48    HE2  PHE   7           HE2      PHE   7  -4.402  -6.306  -4.004
   49    HZ   PHE   7           HZ       PHE   7  -4.124  -4.631  -2.235
   50    H    VAL   8           H        VAL   8  -9.859  -1.384  -5.607
   51    HA   VAL   8           HA       VAL   8 -10.870  -1.766  -8.242
   52    HB   VAL   8           HB       VAL   8  -9.672   0.758  -7.082
   53   1HG1  VAL   8          1HG1      VAL   8 -11.223   1.899  -8.605
   54   2HG1  VAL   8          2HG1      VAL   8 -11.741   0.336  -9.240
   55   3HG1  VAL   8          3HG1      VAL   8 -10.079   0.877  -9.470
   56   1HG2  VAL   8          1HG2      VAL   8 -12.494  -0.292  -6.813
   57   2HG2  VAL   8          2HG2      VAL   8 -11.948   1.309  -6.314
   58   3HG2  VAL   8          3HG2      VAL   8 -11.309  -0.129  -5.514
   59    H    MET   9           H        MET   9  -7.744  -1.098  -6.831
   60    HA   MET   9           HA       MET   9  -6.403  -2.228  -9.079
   61   1HB   MET   9          1HB       MET   9  -6.643  -0.022  -9.992
   62   2HB   MET   9          2HB       MET   9  -6.009   0.710  -8.526
   63   1HG   MET   9          1HG       MET   9  -3.886  -0.574  -8.987
   64   2HG   MET   9          2HG       MET   9  -4.562  -0.945 -10.573
   65   1HE   MET   9          1HE       MET   9  -1.746   0.600 -10.062
   66   2HE   MET   9          2HE       MET   9  -1.856   1.770 -11.377
   67   3HE   MET   9          3HE       MET   9  -2.381   0.103 -11.627
   68    H    ARG  10           H        ARG  10  -4.502  -3.078  -8.480
   69    HA   ARG  10           HA       ARG  10  -3.503  -2.343  -5.825
   70   1HB   ARG  10          1HB       ARG  10  -2.498  -4.722  -5.880
   71   2HB   ARG  10          2HB       ARG  10  -4.191  -4.518  -5.483
   72   1HG   ARG  10          1HG       ARG  10  -4.795  -5.157  -7.765
   73   2HG   ARG  10          2HG       ARG  10  -3.085  -5.378  -8.148
   74   1HD   ARG  10          1HD       ARG  10  -2.882  -7.141  -6.544
   75   2HD   ARG  10          2HD       ARG  10  -4.494  -6.824  -5.913
   76    HE   ARG  10           HE       ARG  10  -4.185  -7.699  -8.701
   77   1HH1  ARG  10          1HH1      ARG  10  -5.285  -8.312  -5.424
   78   2HH1  ARG  10          2HH1      ARG  10  -6.251  -9.681  -5.853
   79   1HH2  ARG  10          1HH2      ARG  10  -5.428  -9.564  -9.273
   80   2HH2  ARG  10          2HH2      ARG  10  -6.316 -10.410  -8.039
   81    HA   PRO  11           HA       PRO  11   0.150  -1.080  -7.846
   82   1HB   PRO  11          1HB       PRO  11   1.787  -1.077  -5.641
   83   2HB   PRO  11          2HB       PRO  11   0.664   0.208  -6.049
   84   1HG   PRO  11          1HG       PRO  11   0.469  -1.857  -3.998
   85   2HG   PRO  11          2HG       PRO  11  -0.267  -0.257  -4.054
   86   1HD   PRO  11          1HD       PRO  11  -1.569  -2.674  -4.534
   87   2HD   PRO  11          2HD       PRO  11  -2.170  -1.065  -4.970
   88    H    GLN  12           H        GLN  12   2.578  -1.655  -7.780
   89    HA   GLN  12           HA       GLN  12   2.844  -4.572  -7.759
   90   1HB   GLN  12          1HB       GLN  12   3.748  -2.593  -9.847
   91   2HB   GLN  12          2HB       GLN  12   4.135  -4.309  -9.849
   92   1HG   GLN  12          1HG       GLN  12   1.322  -3.326  -9.733
   93   2HG   GLN  12          2HG       GLN  12   2.165  -3.542 -11.268
   94   1HE2  GLN  12          1HE2      GLN  12   0.923  -5.199  -8.410
   95   2HE2  GLN  12          2HE2      GLN  12   0.907  -6.772  -9.127
   96    H    ASP  13           H        ASP  13   5.366  -5.040  -8.208
   97    HA   ASP  13           HA       ASP  13   6.636  -4.211  -5.870
   98   1HB   ASP  13          1HB       ASP  13   8.417  -5.658  -6.852
   99   2HB   ASP  13          2HB       ASP  13   6.873  -6.440  -6.704
  100    H    GLY  14           H        GLY  14   9.146  -4.476  -7.440
  101   1HA   GLY  14          1HA       GLY  14   9.943  -2.542  -9.031
  102   2HA   GLY  14          2HA       GLY  14   9.617  -1.615  -7.578
  103    H    GLU  15           H        GLU  15  11.970  -2.482  -9.159
  104    HA   GLU  15           HA       GLU  15  13.628  -3.394  -6.915
  105   1HB   GLU  15          1HB       GLU  15  13.828  -4.980  -8.682
  106   2HB   GLU  15          2HB       GLU  15  13.975  -3.717  -9.899
  107   1HG   GLU  15          1HG       GLU  15  16.146  -3.101  -9.051
  108   2HG   GLU  15          2HG       GLU  15  15.990  -4.266  -7.737
  109    H    VAL  16           H        VAL  16  14.873  -1.802  -6.017
  110    HA   VAL  16           HA       VAL  16  15.696   0.401  -7.640
  111    HB   VAL  16           HB       VAL  16  14.738   2.013  -6.293
  112   1HG1  VAL  16          1HG1      VAL  16  12.672  -0.147  -6.431
  113   2HG1  VAL  16          2HG1      VAL  16  13.022   1.062  -7.665
  114   3HG1  VAL  16          3HG1      VAL  16  12.331   1.554  -6.119
  115   1HG2  VAL  16          1HG2      VAL  16  15.363   1.224  -4.117
  116   2HG2  VAL  16          2HG2      VAL  16  14.177  -0.078  -4.213
  117   3HG2  VAL  16          3HG2      VAL  16  13.639   1.598  -4.111
  118    H    THR  17           H        THR  17  17.256   1.593  -6.427
  119    HA   THR  17           HA       THR  17  18.876  -0.073  -4.677
  120    HB   THR  17           HB       THR  17  20.153   0.987  -6.412
  121    HG1  THR  17           HG1      THR  17  21.645   2.220  -5.101
  122   1HG2  THR  17          1HG2      THR  17  18.771   2.865  -6.933
  123   2HG2  THR  17          2HG2      THR  17  20.374   3.450  -6.490
  124   3HG2  THR  17          3HG2      THR  17  19.051   3.527  -5.325
  125    H    VAL  18           H        VAL  18  19.818   0.940  -2.834
  126    HA   VAL  18           HA       VAL  18  17.958   2.418  -1.222
  127    HB   VAL  18           HB       VAL  18  20.831   2.261  -0.578
  128   1HG1  VAL  18          1HG1      VAL  18  18.379   2.223   1.140
  129   2HG1  VAL  18          2HG1      VAL  18  19.422   3.611   0.829
  130   3HG1  VAL  18          3HG1      VAL  18  20.044   2.223   1.724
  131   1HG2  VAL  18          1HG2      VAL  18  18.875   0.023  -0.190
  132   2HG2  VAL  18          2HG2      VAL  18  20.461   0.108   0.580
  133   3HG2  VAL  18          3HG2      VAL  18  20.336  -0.004  -1.176
  134    H    GLY  19           H        GLY  19  17.667   4.242  -1.884
  135   1HA   GLY  19          1HA       GLY  19  18.597   6.554  -1.449
  136   2HA   GLY  19          2HA       GLY  19  19.888   6.051  -2.536
  137    H    GLY  20           H        GLY  20  17.083   4.597  -3.709
  138   1HA   GLY  20          1HA       GLY  20  16.623   6.917  -5.423
  139   2HA   GLY  20          2HA       GLY  20  16.197   5.261  -5.788
  140    H    SER  21           H        SER  21  14.249   5.207  -5.877
  141    HA   SER  21           HA       SER  21  12.619   5.722  -3.645
  142   1HB   SER  21          1HB       SER  21  11.011   6.928  -5.149
  143   2HB   SER  21          2HB       SER  21  12.409   7.805  -4.605
  144    HG   SER  21           HG       SER  21  12.108   8.171  -6.804
  145    H    ILE  22           H        ILE  22  10.485   5.017  -4.046
  146    HA   ILE  22           HA       ILE  22   9.934   3.321  -6.244
  147    HB   ILE  22           HB       ILE  22  10.874   1.838  -4.556
  148   1HG1  ILE  22          1HG1      ILE  22   9.002   0.223  -4.518
  149   2HG1  ILE  22          2HG1      ILE  22   7.937   1.496  -5.088
  150   1HG2  ILE  22          1HG2      ILE  22  10.270   2.970  -2.517
  151   2HG2  ILE  22          2HG2      ILE  22   9.601   1.338  -2.501
  152   3HG2  ILE  22          3HG2      ILE  22   8.559   2.712  -2.858
  153   1HD1  ILE  22          1HD1      ILE  22   9.285   1.688  -7.124
  154   2HD1  ILE  22          2HD1      ILE  22   8.606   0.071  -6.920
  155   3HD1  ILE  22          3HD1      ILE  22  10.307   0.366  -6.558
  156    H    THR  23           H        THR  23   7.820   2.974  -6.387
  157    HA   THR  23           HA       THR  23   6.044   4.713  -4.891
  158    HB   THR  23           HB       THR  23   6.063   4.915  -7.887
  159    HG1  THR  23           HG1      THR  23   7.781   5.984  -6.168
  160   1HG2  THR  23          1HG2      THR  23   4.638   6.881  -7.486
  161   2HG2  THR  23          2HG2      THR  23   4.722   6.587  -5.751
  162   3HG2  THR  23          3HG2      THR  23   3.917   5.423  -6.801
  163    H    PHE  24           H        PHE  24   4.294   3.799  -4.474
  164    HA   PHE  24           HA       PHE  24   3.179   1.702  -6.218
  165   1HB   PHE  24          1HB       PHE  24   2.813   1.921  -3.226
  166   2HB   PHE  24          2HB       PHE  24   2.346   0.598  -4.267
  167    HD1  PHE  24           HD1      PHE  24   4.438  -0.386  -5.661
  168    HD2  PHE  24           HD2      PHE  24   4.623   1.568  -1.891
  169    HE1  PHE  24           HE1      PHE  24   6.574  -1.509  -5.190
  170    HE2  PHE  24           HE2      PHE  24   6.762   0.455  -1.417
  171    HZ   PHE  24           HZ       PHE  24   7.726  -1.108  -3.044
  172    H    SER  25           H        SER  25   0.984   1.821  -6.473
  173    HA   SER  25           HA       SER  25  -0.512   3.958  -5.207
  174   1HB   SER  25          1HB       SER  25  -1.211   3.312  -8.001
  175   2HB   SER  25          2HB       SER  25  -1.296   4.841  -7.150
  176    HG   SER  25           HG       SER  25   1.265   4.077  -7.393
  177    H    ALA  26           H        ALA  26  -2.217   3.183  -4.330
  178    HA   ALA  26           HA       ALA  26  -3.304   0.594  -5.187
  179   1HB   ALA  26          1HB       ALA  26  -1.817   0.672  -3.053
  180   2HB   ALA  26          2HB       ALA  26  -3.319  -0.235  -3.022
  181   3HB   ALA  26          3HB       ALA  26  -3.248   1.369  -2.297
  182    H    ARG  27           H        ARG  27  -5.441   0.552  -5.500
  183    HA   ARG  27           HA       ARG  27  -6.963   2.931  -4.649
  184   1HB   ARG  27          1HB       ARG  27  -7.420   1.168  -7.064
  185   2HB   ARG  27          2HB       ARG  27  -8.355   2.592  -6.633
  186   1HG   ARG  27          1HG       ARG  27  -6.367   3.986  -6.935
  187   2HG   ARG  27          2HG       ARG  27  -5.443   2.551  -7.385
  188   1HD   ARG  27          1HD       ARG  27  -6.984   2.173  -9.268
  189   2HD   ARG  27          2HD       ARG  27  -7.845   3.654  -8.837
  190    HE   ARG  27           HE       ARG  27  -4.988   3.732  -9.531
  191   1HH1  ARG  27          1HH1      ARG  27  -8.287   4.707 -10.126
  192   2HH1  ARG  27          2HH1      ARG  27  -7.863   5.921 -11.290
  193   1HH2  ARG  27          1HH2      ARG  27  -4.408   5.301 -11.093
  194   2HH2  ARG  27          2HH2      ARG  27  -5.662   6.218 -11.888
  195    H    VAL  28           H        VAL  28  -8.593   2.566  -3.265
  196    HA   VAL  28           HA       VAL  28  -9.786  -0.095  -3.191
  197    HB   VAL  28           HB       VAL  28  -9.569   1.706  -0.796
  198   1HG1  VAL  28          1HG1      VAL  28 -11.391   0.005  -0.875
  199   2HG1  VAL  28          2HG1      VAL  28 -10.251  -0.232   0.452
  200   3HG1  VAL  28          3HG1      VAL  28 -10.151  -1.248  -0.986
  201   1HG2  VAL  28          1HG2      VAL  28  -7.771  -0.597  -1.553
  202   2HG2  VAL  28          2HG2      VAL  28  -7.755   0.247  -0.007
  203   3HG2  VAL  28          3HG2      VAL  28  -7.319   1.109  -1.479
  204    H    ALA  29           H        ALA  29 -11.729  -0.091  -3.619
  205    HA   ALA  29           HA       ALA  29 -13.398   1.984  -4.267
  206   1HB   ALA  29          1HB       ALA  29 -13.809  -0.321  -4.947
  207   2HB   ALA  29          2HB       ALA  29 -15.225   0.368  -4.152
  208   3HB   ALA  29          3HB       ALA  29 -14.177  -0.749  -3.278
  209    H    GLY  30           H        GLY  30 -13.852   3.550  -3.001
  210   1HA   GLY  30          1HA       GLY  30 -14.246   3.651  -0.267
  211   2HA   GLY  30          2HA       GLY  30 -15.062   4.700  -1.426
  212    H    ALA  31           H        ALA  31 -16.545   2.921  -2.813
  213    HA   ALA  31           HA       ALA  31 -18.549   1.892  -2.889
  214   1HB   ALA  31          1HB       ALA  31 -18.639  -0.111  -1.285
  215   2HB   ALA  31          2HB       ALA  31 -16.997   0.377  -0.852
  216   3HB   ALA  31          3HB       ALA  31 -17.386  -0.057  -2.526
  217    H    SER  32           H        SER  32 -20.188   0.688  -1.232
  218    HA   SER  32           HA       SER  32 -20.882   2.581   0.906
  219   1HB   SER  32          1HB       SER  32 -22.823   0.774  -0.553
  220   2HB   SER  32          2HB       SER  32 -23.195   2.170   0.460
  221    HG   SER  32           HG       SER  32 -23.013   3.392  -1.248
  222    H    LEU  33           H        LEU  33 -20.870   1.666   2.915
  223    HA   LEU  33           HA       LEU  33 -20.921  -1.180   3.210
  224   1HB   LEU  33          1HB       LEU  33 -18.729  -1.218   4.348
  225   2HB   LEU  33          2HB       LEU  33 -18.666  -1.052   2.623
  226    HG   LEU  33           HG       LEU  33 -17.211   0.375   4.515
  227   1HD1  LEU  33          1HD1      LEU  33 -16.554  -0.135   2.255
  228   2HD1  LEU  33          2HD1      LEU  33 -16.377   1.589   2.577
  229   3HD1  LEU  33          3HD1      LEU  33 -17.743   1.006   1.624
  230   1HD2  LEU  33          1HD2      LEU  33 -17.807   2.584   4.578
  231   2HD2  LEU  33          2HD2      LEU  33 -19.378   1.797   4.745
  232   3HD2  LEU  33          3HD2      LEU  33 -18.875   2.460   3.186
  233    H    LEU  34           H        LEU  34 -20.185  -1.738   5.548
  234    HA   LEU  34           HA       LEU  34 -21.971  -0.433   7.342
  235   1HB   LEU  34          1HB       LEU  34 -21.300  -2.861   7.404
  236   2HB   LEU  34          2HB       LEU  34 -19.742  -2.337   8.021
  237    HG   LEU  34           HG       LEU  34 -21.022  -1.204   9.890
  238   1HD1  LEU  34          1HD1      LEU  34 -23.237  -2.133  10.388
  239   2HD1  LEU  34          2HD1      LEU  34 -23.213  -2.967   8.833
  240   3HD1  LEU  34          3HD1      LEU  34 -23.215  -1.205   8.888
  241   1HD2  LEU  34          1HD2      LEU  34 -19.737  -3.252  10.224
  242   2HD2  LEU  34          2HD2      LEU  34 -21.106  -4.213   9.669
  243   3HD2  LEU  34          3HD2      LEU  34 -21.223  -3.295  11.172
  244    H    LYS  35           H        LYS  35 -18.445  -0.857   7.407
  245    HA   LYS  35           HA       LYS  35 -18.242   1.926   8.249
  246   1HB   LYS  35          1HB       LYS  35 -16.183   1.253   9.591
  247   2HB   LYS  35          2HB       LYS  35 -17.735   0.807  10.272
  248   1HG   LYS  35          1HG       LYS  35 -16.316  -1.031  10.627
  249   2HG   LYS  35          2HG       LYS  35 -17.360  -1.492   9.283
  250   1HD   LYS  35          1HD       LYS  35 -15.654  -1.364   7.740
  251   2HD   LYS  35          2HD       LYS  35 -14.716  -0.232   8.711
  252   1HE   LYS  35          1HE       LYS  35 -13.733  -2.519   8.564
  253   2HE   LYS  35          2HE       LYS  35 -14.043  -1.972  10.209
  254   1HZ   LYS  35          1HZ       LYS  35 -16.080  -3.578   8.826
  255   2HZ   LYS  35          2HZ       LYS  35 -15.743  -3.462  10.485
  256   3HZ   LYS  35          3HZ       LYS  35 -14.715  -4.347   9.468
  257    HA   PRO  36           HA       PRO  36 -15.638   2.729   4.808
  258   1HB   PRO  36          1HB       PRO  36 -13.827   3.878   6.904
  259   2HB   PRO  36          2HB       PRO  36 -14.336   4.576   5.360
  260   1HG   PRO  36          1HG       PRO  36 -15.450   5.396   7.622
  261   2HG   PRO  36          2HG       PRO  36 -16.435   5.162   6.163
  262   1HD   PRO  36          1HD       PRO  36 -16.249   3.481   8.615
  263   2HD   PRO  36          2HD       PRO  36 -17.631   3.766   7.540
  264    HA   PRO  37           HA       PRO  37 -13.180  -0.863   4.885
  265   1HB   PRO  37          1HB       PRO  37 -11.427   0.358   2.892
  266   2HB   PRO  37          2HB       PRO  37 -12.400  -1.104   2.778
  267   1HG   PRO  37          1HG       PRO  37 -13.112   1.128   1.447
  268   2HG   PRO  37          2HG       PRO  37 -14.308   0.020   2.134
  269   1HD   PRO  37          1HD       PRO  37 -13.379   2.670   3.146
  270   2HD   PRO  37          2HD       PRO  37 -15.003   1.942   3.175
  271    H    VAL  38           H        VAL  38 -11.499  -1.527   5.967
  272    HA   VAL  38           HA       VAL  38  -9.545   0.420   6.878
  273    HB   VAL  38           HB       VAL  38  -9.592  -2.346   7.917
  274   1HG1  VAL  38          1HG1      VAL  38  -8.945   0.310   9.153
  275   2HG1  VAL  38          2HG1      VAL  38  -7.795  -0.894   8.570
  276   3HG1  VAL  38          3HG1      VAL  38  -8.808  -1.247   9.970
  277   1HG2  VAL  38          1HG2      VAL  38 -11.503  -0.214   8.852
  278   2HG2  VAL  38          2HG2      VAL  38 -11.190  -1.730   9.701
  279   3HG2  VAL  38          3HG2      VAL  38 -11.932  -1.750   8.101
  280    H    VAL  39           H        VAL  39  -8.148   0.434   5.454
  281    HA   VAL  39           HA       VAL  39  -7.027  -1.995   4.345
  282    HB   VAL  39           HB       VAL  39  -6.246   0.719   3.417
  283   1HG1  VAL  39          1HG1      VAL  39  -6.445  -1.937   2.040
  284   2HG1  VAL  39          2HG1      VAL  39  -4.975  -1.134   2.600
  285   3HG1  VAL  39          3HG1      VAL  39  -5.913  -0.438   1.279
  286   1HG2  VAL  39          1HG2      VAL  39  -8.740   0.668   3.417
  287   2HG2  VAL  39          2HG2      VAL  39  -8.654  -0.691   2.292
  288   3HG2  VAL  39          3HG2      VAL  39  -8.018   0.887   1.828
  289    H    LYS  40           H        LYS  40  -5.401  -2.551   5.471
  290    HA   LYS  40           HA       LYS  40  -3.648  -0.595   6.604
  291   1HB   LYS  40          1HB       LYS  40  -2.740  -2.454   7.947
  292   2HB   LYS  40          2HB       LYS  40  -4.407  -2.080   8.279
  293   1HG   LYS  40          1HG       LYS  40  -4.465  -4.367   8.252
  294   2HG   LYS  40          2HG       LYS  40  -4.853  -3.997   6.571
  295   1HD   LYS  40          1HD       LYS  40  -3.214  -5.770   6.609
  296   2HD   LYS  40          2HD       LYS  40  -2.444  -4.309   5.994
  297   1HE   LYS  40          1HE       LYS  40  -0.898  -5.261   7.493
  298   2HE   LYS  40          2HE       LYS  40  -1.625  -3.912   8.367
  299   1HZ   LYS  40          1HZ       LYS  40  -2.432  -6.755   8.641
  300   2HZ   LYS  40          2HZ       LYS  40  -3.046  -5.453   9.536
  301   3HZ   LYS  40          3HZ       LYS  40  -1.426  -5.920   9.724
  302    H    TRP  41           H        TRP  41  -1.949  -0.249   5.843
  303    HA   TRP  41           HA       TRP  41  -0.721  -1.922   3.856
  304   1HB   TRP  41          1HB       TRP  41  -0.059   0.754   5.026
  305   2HB   TRP  41          2HB       TRP  41   0.967  -0.066   3.850
  306    HD1  TRP  41           HD1      TRP  41  -2.432   1.649   4.180
  307    HE1  TRP  41           HE1      TRP  41  -3.173   2.322   1.765
  308    HE3  TRP  41           HE3      TRP  41   1.062  -0.895   1.510
  309    HZ2  TRP  41           HZ2      TRP  41  -2.445   1.703  -0.858
  310    HZ3  TRP  41           HZ3      TRP  41   0.962  -0.851  -0.941
  311    HH2  TRP  41           HH2      TRP  41  -0.772   0.414  -2.099
  312    H    PHE  42           H        PHE  42   1.097  -2.935   4.033
  313    HA   PHE  42           HA       PHE  42   2.454  -3.080   6.643
  314   1HB   PHE  42          1HB       PHE  42   0.995  -5.123   5.997
  315   2HB   PHE  42          2HB       PHE  42   2.173  -5.374   4.720
  316    HD1  PHE  42           HD1      PHE  42   4.310  -6.307   5.153
  317    HD2  PHE  42           HD2      PHE  42   1.644  -5.403   8.341
  318    HE1  PHE  42           HE1      PHE  42   5.685  -7.659   6.675
  319    HE2  PHE  42           HE2      PHE  42   3.022  -6.752   9.872
  320    HZ   PHE  42           HZ       PHE  42   5.042  -7.888   9.038
  321    H    LYS  43           H        LYS  43   4.638  -2.724   6.387
  322    HA   LYS  43           HA       LYS  43   5.409  -2.317   3.582
  323   1HB   LYS  43          1HB       LYS  43   5.730  -0.247   4.574
  324   2HB   LYS  43          2HB       LYS  43   6.252  -0.924   6.115
  325   1HG   LYS  43          1HG       LYS  43   8.347  -1.644   5.075
  326   2HG   LYS  43          2HG       LYS  43   7.814  -0.960   3.540
  327   1HD   LYS  43          1HD       LYS  43   9.299   0.579   4.573
  328   2HD   LYS  43          2HD       LYS  43   7.669   1.244   4.654
  329   1HE   LYS  43          1HE       LYS  43   7.470   0.641   6.959
  330   2HE   LYS  43          2HE       LYS  43   8.985  -0.258   6.903
  331   1HZ   LYS  43          1HZ       LYS  43   9.381   1.839   7.934
  332   2HZ   LYS  43          2HZ       LYS  43   8.649   2.673   6.658
  333   3HZ   LYS  43          3HZ       LYS  43  10.112   1.869   6.408
  334    H    GLY  44           H        GLY  44   6.693  -4.040   2.925
  335   1HA   GLY  44          1HA       GLY  44   7.343  -5.847   5.076
  336   2HA   GLY  44          2HA       GLY  44   7.564  -6.156   3.368
  337    H    LYS  45           H        LYS  45   9.029  -4.357   6.028
  338    HA   LYS  45           HA       LYS  45  11.367  -5.997   5.381
  339   1HB   LYS  45          1HB       LYS  45  11.293  -3.468   6.377
  340   2HB   LYS  45          2HB       LYS  45  11.176  -4.372   7.870
  341   1HG   LYS  45          1HG       LYS  45  13.267  -5.465   7.438
  342   2HG   LYS  45          2HG       LYS  45  13.368  -4.711   5.840
  343   1HD   LYS  45          1HD       LYS  45  13.731  -2.586   6.738
  344   2HD   LYS  45          2HD       LYS  45  13.149  -3.055   8.332
  345   1HE   LYS  45          1HE       LYS  45  15.134  -4.608   8.458
  346   2HE   LYS  45          2HE       LYS  45  15.740  -3.802   7.010
  347   1HZ   LYS  45          1HZ       LYS  45  16.638  -2.837   9.066
  348   2HZ   LYS  45          2HZ       LYS  45  15.070  -2.438   9.559
  349   3HZ   LYS  45          3HZ       LYS  45  15.734  -1.712   8.184
  350    H    TRP  46           H        TRP  46   8.559  -5.488   7.119
  351    HA   TRP  46           HA       TRP  46   7.833  -7.604   8.475
  352   1HB   TRP  46          1HB       TRP  46   8.768  -6.997  10.820
  353   2HB   TRP  46          2HB       TRP  46   9.667  -8.044   9.751
  354    HD1  TRP  46           HD1      TRP  46   9.649  -4.210   9.671
  355    HE1  TRP  46           HE1      TRP  46  12.062  -3.384   9.976
  356    HE3  TRP  46           HE3      TRP  46  11.872  -8.682  10.684
  357    HZ2  TRP  46           HZ2      TRP  46  14.577  -4.494  10.673
  358    HZ3  TRP  46           HZ3      TRP  46  14.284  -8.718  11.189
  359    HH2  TRP  46           HH2      TRP  46  15.605  -6.665  11.183
  360    H    VAL  47           H        VAL  47   7.890  -4.269   8.150
  361    HA   VAL  47           HA       VAL  47   6.542  -3.607  10.533
  362    HB   VAL  47           HB       VAL  47   6.957  -1.297   9.067
  363   1HG1  VAL  47          1HG1      VAL  47   7.102  -1.535  11.494
  364   2HG1  VAL  47          2HG1      VAL  47   8.533  -0.734  10.842
  365   3HG1  VAL  47          3HG1      VAL  47   8.613  -2.431  11.311
  366   1HG2  VAL  47          1HG2      VAL  47   9.384  -3.054   8.917
  367   2HG2  VAL  47          2HG2      VAL  47   9.403  -1.308   8.679
  368   3HG2  VAL  47          3HG2      VAL  47   8.500  -2.333   7.564
  369    H    ASP  48           H        ASP  48   5.106  -1.826  10.212
  370    HA   ASP  48           HA       ASP  48   3.093  -2.184   8.191
  371   1HB   ASP  48          1HB       ASP  48   3.155  -0.943  10.954
  372   2HB   ASP  48          2HB       ASP  48   1.795  -0.815   9.867
  373    H    LEU  49           H        LEU  49   2.369  -0.134   7.244
  374    HA   LEU  49           HA       LEU  49   4.459   1.849   7.121
  375   1HB   LEU  49          1HB       LEU  49   1.846   1.566   5.666
  376   2HB   LEU  49          2HB       LEU  49   2.794   3.034   5.586
  377    HG   LEU  49           HG       LEU  49   4.682   1.452   4.702
  378   1HD1  LEU  49          1HD1      LEU  49   2.248  -0.055   3.791
  379   2HD1  LEU  49          2HD1      LEU  49   3.320  -0.626   5.080
  380   3HD1  LEU  49          3HD1      LEU  49   3.948  -0.391   3.446
  381   1HD2  LEU  49          1HD2      LEU  49   3.520   3.254   3.492
  382   2HD2  LEU  49          2HD2      LEU  49   2.279   2.077   3.034
  383   3HD2  LEU  49          3HD2      LEU  49   3.942   1.874   2.476
  384    H    SER  50           H        SER  50   1.440   1.488   8.737
  385    HA   SER  50           HA       SER  50   0.531   4.111   8.658
  386   1HB   SER  50          1HB       SER  50  -0.581   3.112  10.884
  387   2HB   SER  50          2HB       SER  50  -1.146   2.690   9.273
  388    HG   SER  50           HG       SER  50  -0.538   0.953  10.931
  389    H    SER  51           H        SER  51   3.013   2.579  10.355
  390    HA   SER  51           HA       SER  51   2.964   4.462  12.477
  391   1HB   SER  51          1HB       SER  51   3.366   2.086  12.953
  392   2HB   SER  51          2HB       SER  51   4.830   2.166  12.002
  393    HG   SER  51           HG       SER  51   4.430   3.908  14.194
  394    H    LYS  52           H        LYS  52   4.614   3.779   9.611
  395    HA   LYS  52           HA       LYS  52   6.932   5.368  10.326
  396   1HB   LYS  52          1HB       LYS  52   6.891   4.017   7.733
  397   2HB   LYS  52          2HB       LYS  52   8.123   4.030   8.977
  398   1HG   LYS  52          1HG       LYS  52   5.698   2.291   8.810
  399   2HG   LYS  52          2HG       LYS  52   7.380   1.797   8.654
  400   1HD   LYS  52          1HD       LYS  52   5.995   2.764  11.157
  401   2HD   LYS  52          2HD       LYS  52   6.491   1.108  10.811
  402   1HE   LYS  52          1HE       LYS  52   8.844   1.836  10.839
  403   2HE   LYS  52          2HE       LYS  52   8.331   3.492  11.172
  404   1HZ   LYS  52          1HZ       LYS  52   8.884   2.630  13.251
  405   2HZ   LYS  52          2HZ       LYS  52   8.184   1.121  12.938
  406   3HZ   LYS  52          3HZ       LYS  52   7.197   2.472  13.212
  407    H    VAL  53           H        VAL  53   4.612   5.066   7.804
  408    HA   VAL  53           HA       VAL  53   4.813   6.720   5.904
  409    HB   VAL  53           HB       VAL  53   2.486   6.569   7.794
  410   1HG1  VAL  53          1HG1      VAL  53   1.118   7.428   5.866
  411   2HG1  VAL  53          2HG1      VAL  53   2.629   7.966   5.124
  412   3HG1  VAL  53          3HG1      VAL  53   2.113   8.649   6.669
  413   1HG2  VAL  53          1HG2      VAL  53   2.998   5.401   5.082
  414   2HG2  VAL  53          2HG2      VAL  53   1.570   5.134   6.084
  415   3HG2  VAL  53          3HG2      VAL  53   3.148   4.551   6.620
  416    H    GLY  54           H        GLY  54   6.177   8.200   6.003
  417   1HA   GLY  54          1HA       GLY  54   5.284  10.787   7.013
  418   2HA   GLY  54          2HA       GLY  54   6.840  10.229   7.608
  419    H    GLN  55           H        GLN  55   8.501  11.096   6.554
  420    HA   GLN  55           HA       GLN  55   7.837  12.647   4.201
  421   1HB   GLN  55          1HB       GLN  55  10.361  12.573   5.852
  422   2HB   GLN  55          2HB       GLN  55  10.023  13.721   4.560
  423   1HG   GLN  55          1HG       GLN  55   8.090  14.548   5.824
  424   2HG   GLN  55          2HG       GLN  55   8.472  13.421   7.122
  425   1HE2  GLN  55          1HE2      GLN  55  10.910  15.130   5.285
  426   2HE2  GLN  55          2HE2      GLN  55  11.437  16.147   6.580
  427    H    HIS  56           H        HIS  56   9.564   9.698   4.840
  428    HA   HIS  56           HA       HIS  56  10.726   9.813   2.146
  429   1HB   HIS  56          1HB       HIS  56  12.206   8.110   2.738
  430   2HB   HIS  56          2HB       HIS  56  12.082   9.069   4.201
  431    HD1  HIS  56           HD1      HIS  56  11.390   5.713   2.804
  432    HD2  HIS  56           HD2      HIS  56  10.735   7.796   6.340
  433    HE1  HIS  56           HE1      HIS  56  10.599   3.996   4.459
  434    HE2  HIS  56           HE2      HIS  56  10.535   5.237   6.665
  435    H    LEU  57           H        LEU  57   8.550   7.961   4.097
  436    HA   LEU  57           HA       LEU  57   7.355   6.776   1.695
  437   1HB   LEU  57          1HB       LEU  57   8.204   5.021   3.081
  438   2HB   LEU  57          2HB       LEU  57   7.669   5.771   4.542
  439    HG   LEU  57           HG       LEU  57   6.500   3.618   3.103
  440   1HD1  LEU  57          1HD1      LEU  57   5.729   5.169   5.539
  441   2HD1  LEU  57          2HD1      LEU  57   6.628   3.655   5.431
  442   3HD1  LEU  57          3HD1      LEU  57   4.914   3.697   5.017
  443   1HD2  LEU  57          1HD2      LEU  57   4.674   6.023   3.181
  444   2HD2  LEU  57          2HD2      LEU  57   4.156   4.356   2.939
  445   3HD2  LEU  57          3HD2      LEU  57   5.192   5.138   1.747
  446    H    GLN  58           H        GLN  58   5.921   8.403   1.314
  447    HA   GLN  58           HA       GLN  58   4.026   9.054   3.376
  448   1HB   GLN  58          1HB       GLN  58   3.994   9.820   0.444
  449   2HB   GLN  58          2HB       GLN  58   3.015  10.512   1.723
  450   1HG   GLN  58          1HG       GLN  58   4.592  12.112   1.337
  451   2HG   GLN  58          2HG       GLN  58   5.253  11.278   2.723
  452   1HE2  GLN  58          1HE2      GLN  58   7.147  10.164   2.501
  453   2HE2  GLN  58          2HE2      GLN  58   8.131  10.243   1.074
  454    H    LEU  59           H        LEU  59   2.691   7.506   3.661
  455    HA   LEU  59           HA       LEU  59   1.485   6.132   1.401
  456   1HB   LEU  59          1HB       LEU  59   2.251   4.908   3.558
  457   2HB   LEU  59          2HB       LEU  59   0.928   5.711   4.361
  458    HG   LEU  59           HG       LEU  59   0.829   3.516   2.324
  459   1HD1  LEU  59          1HD1      LEU  59   0.129   3.990   5.177
  460   2HD1  LEU  59          2HD1      LEU  59   1.065   2.670   4.432
  461   3HD1  LEU  59          3HD1      LEU  59  -0.697   2.726   4.256
  462   1HD2  LEU  59          1HD2      LEU  59  -1.596   3.766   2.288
  463   2HD2  LEU  59          2HD2      LEU  59  -0.767   5.144   1.552
  464   3HD2  LEU  59          3HD2      LEU  59  -1.453   5.285   3.179
  465    H    HIS  60           H        HIS  60   0.372   7.707   0.561
  466    HA   HIS  60           HA       HIS  60  -1.135   9.573   2.134
  467   1HB   HIS  60          1HB       HIS  60   0.626  10.207   0.349
  468   2HB   HIS  60          2HB       HIS  60  -0.602   9.779  -0.815
  469    HD1  HIS  60           HD1      HIS  60  -1.888  11.732  -1.600
  470    HD2  HIS  60           HD2      HIS  60  -0.449  12.252   2.277
  471    HE1  HIS  60           HE1      HIS  60  -2.523  14.081  -0.938
  472    HE2  HIS  60           HE2      HIS  60  -1.486  14.424   1.336
  473    H    ASP  61           H        ASP  61  -3.016  10.259   1.046
  474    HA   ASP  61           HA       ASP  61  -4.505   8.169  -0.189
  475   1HB   ASP  61          1HB       ASP  61  -6.437   8.865   1.352
  476   2HB   ASP  61          2HB       ASP  61  -5.269   7.681   1.863
  477    H    SER  62           H        SER  62  -5.440   8.757  -1.668
  478    HA   SER  62           HA       SER  62  -6.540  11.444  -1.990
  479   1HB   SER  62          1HB       SER  62  -6.688   9.458  -4.187
  480   2HB   SER  62          2HB       SER  62  -6.493  11.202  -4.279
  481    HG   SER  62           HG       SER  62  -4.324  10.785  -3.342
  482    H    TYR  63           H        TYR  63  -8.712  11.688  -2.490
  483    HA   TYR  63           HA       TYR  63 -10.398   9.390  -2.133
  484   1HB   TYR  63          1HB       TYR  63 -10.465   9.918   0.041
  485   2HB   TYR  63          2HB       TYR  63 -10.130  11.620  -0.204
  486    HD1  TYR  63           HD1      TYR  63 -11.876  13.156   0.064
  487    HD2  TYR  63           HD2      TYR  63 -12.820   9.078  -0.700
  488    HE1  TYR  63           HE1      TYR  63 -14.261  13.646   0.414
  489    HE2  TYR  63           HE2      TYR  63 -15.206   9.557  -0.351
  490    HH   TYR  63           HH       TYR  63 -16.443  12.748  -0.151
  491    H    ASP  64           H        ASP  64 -11.193   9.504  -4.080
  492    HA   ASP  64           HA       ASP  64 -12.898  11.814  -4.587
  493   1HB   ASP  64          1HB       ASP  64 -12.960  10.619  -6.914
  494   2HB   ASP  64          2HB       ASP  64 -11.712  11.756  -6.477
  495    H    ARG  65           H        ARG  65 -14.797  11.442  -3.829
  496    HA   ARG  65           HA       ARG  65 -15.984   8.877  -3.601
  497   1HB   ARG  65          1HB       ARG  65 -16.440  11.340  -2.481
  498   2HB   ARG  65          2HB       ARG  65 -17.823  11.148  -3.561
  499   1HG   ARG  65          1HG       ARG  65 -16.918   9.147  -1.527
  500   2HG   ARG  65          2HG       ARG  65 -18.246  10.290  -1.303
  501   1HD   ARG  65          1HD       ARG  65 -18.207   8.464  -3.670
  502   2HD   ARG  65          2HD       ARG  65 -18.755   7.836  -2.104
  503    HE   ARG  65           HE       ARG  65 -20.136  10.213  -2.557
  504   1HH1  ARG  65          1HH1      ARG  65 -19.890   7.069  -4.086
  505   2HH1  ARG  65          2HH1      ARG  65 -21.500   7.105  -4.718
  506   1HH2  ARG  65          1HH2      ARG  65 -22.242  10.264  -3.403
  507   2HH2  ARG  65          2HH2      ARG  65 -22.834   8.939  -4.362
  508    H    ALA  66           H        ALA  66 -16.141  11.434  -5.937
  509    HA   ALA  66           HA       ALA  66 -18.240  10.418  -7.520
  510   1HB   ALA  66          1HB       ALA  66 -15.907  12.129  -8.375
  511   2HB   ALA  66          2HB       ALA  66 -17.439  12.719  -7.731
  512   3HB   ALA  66          3HB       ALA  66 -17.399  11.880  -9.284
  513    H    SER  67           H        SER  67 -15.075   9.389  -6.999
  514    HA   SER  67           HA       SER  67 -15.185   7.579  -9.304
  515   1HB   SER  67          1HB       SER  67 -13.116   9.044  -8.858
  516   2HB   SER  67          2HB       SER  67 -12.824   7.999  -7.470
  517    HG   SER  67           HG       SER  67 -11.706   7.035  -9.047
  518    H    LYS  68           H        LYS  68 -15.509   7.951  -5.958
  519    HA   LYS  68           HA       LYS  68 -15.986   6.577  -4.214
  520   1HB   LYS  68          1HB       LYS  68 -17.693   5.813  -5.909
  521   2HB   LYS  68          2HB       LYS  68 -16.574   4.540  -6.351
  522   1HG   LYS  68          1HG       LYS  68 -18.160   3.564  -4.928
  523   2HG   LYS  68          2HG       LYS  68 -16.692   3.751  -3.974
  524   1HD   LYS  68          1HD       LYS  68 -18.831   5.841  -3.884
  525   2HD   LYS  68          2HD       LYS  68 -18.997   4.360  -2.941
  526   1HE   LYS  68          1HE       LYS  68 -16.603   4.949  -2.092
  527   2HE   LYS  68          2HE       LYS  68 -16.987   6.572  -2.664
  528   1HZ   LYS  68          1HZ       LYS  68 -17.561   6.386  -0.355
  529   2HZ   LYS  68          2HZ       LYS  68 -18.483   4.993  -0.635
  530   3HZ   LYS  68          3HZ       LYS  68 -19.006   6.489  -1.237
  531    H    VAL  69           H        VAL  69 -13.351   6.816  -5.023
  532    HA   VAL  69           HA       VAL  69 -12.256   4.257  -4.158
  533    HB   VAL  69           HB       VAL  69 -10.835   6.056  -6.115
  534   1HG1  VAL  69          1HG1      VAL  69  -9.422   4.104  -6.479
  535   2HG1  VAL  69          2HG1      VAL  69 -10.364   3.200  -5.292
  536   3HG1  VAL  69          3HG1      VAL  69  -9.423   4.605  -4.787
  537   1HG2  VAL  69          1HG2      VAL  69 -11.379   4.394  -7.865
  538   2HG2  VAL  69          2HG2      VAL  69 -12.801   5.248  -7.267
  539   3HG2  VAL  69          3HG2      VAL  69 -12.474   3.598  -6.733
  540    H    TYR  70           H        TYR  70 -10.774   4.445  -2.643
  541    HA   TYR  70           HA       TYR  70  -9.591   7.047  -2.036
  542   1HB   TYR  70          1HB       TYR  70  -9.233   4.537  -0.437
  543   2HB   TYR  70          2HB       TYR  70  -8.909   6.180   0.065
  544    HD1  TYR  70           HD1      TYR  70 -11.142   3.527   0.385
  545    HD2  TYR  70           HD2      TYR  70 -11.046   7.763   0.008
  546    HE1  TYR  70           HE1      TYR  70 -13.369   3.662   1.410
  547    HE2  TYR  70           HE2      TYR  70 -13.266   7.911   1.039
  548    HH   TYR  70           HH       TYR  70 -15.254   6.470   1.341
  549    H    LEU  71           H        LEU  71  -7.816   7.307  -3.086
  550    HA   LEU  71           HA       LEU  71  -6.245   5.009  -3.926
  551   1HB   LEU  71          1HB       LEU  71  -6.595   6.427  -5.775
  552   2HB   LEU  71          2HB       LEU  71  -6.246   7.870  -4.843
  553    HG   LEU  71           HG       LEU  71  -3.887   7.376  -4.815
  554   1HD1  LEU  71          1HD1      LEU  71  -4.565   4.785  -6.205
  555   2HD1  LEU  71          2HD1      LEU  71  -3.971   4.956  -4.551
  556   3HD1  LEU  71          3HD1      LEU  71  -2.936   5.397  -5.911
  557   1HD2  LEU  71          1HD2      LEU  71  -3.369   7.440  -7.199
  558   2HD2  LEU  71          2HD2      LEU  71  -4.739   8.480  -6.811
  559   3HD2  LEU  71          3HD2      LEU  71  -5.010   6.913  -7.571
  560    H    PHE  72           H        PHE  72  -5.044   4.417  -2.394
  561    HA   PHE  72           HA       PHE  72  -3.597   6.269  -0.748
  562   1HB   PHE  72          1HB       PHE  72  -3.692   3.288  -0.819
  563   2HB   PHE  72          2HB       PHE  72  -2.722   4.187   0.321
  564    HD1  PHE  72           HD1      PHE  72  -6.014   2.948  -0.518
  565    HD2  PHE  72           HD2      PHE  72  -3.852   5.588   2.028
  566    HE1  PHE  72           HE1      PHE  72  -7.940   3.046   1.011
  567    HE2  PHE  72           HE2      PHE  72  -5.779   5.696   3.555
  568    HZ   PHE  72           HZ       PHE  72  -7.825   4.422   3.051
  569    H    GLU  73           H        GLU  73  -1.882   7.012  -1.375
  570    HA   GLU  73           HA       GLU  73  -0.356   5.892  -3.591
  571   1HB   GLU  73          1HB       GLU  73   0.189   8.569  -2.366
  572   2HB   GLU  73          2HB       GLU  73   0.580   8.000  -3.976
  573   1HG   GLU  73          1HG       GLU  73  -1.661   8.280  -4.701
  574   2HG   GLU  73          2HG       GLU  73  -2.217   8.573  -3.046
  575    H    LEU  74           H        LEU  74   1.515   5.082  -3.195
  576    HA   LEU  74           HA       LEU  74   2.823   5.618  -0.646
  577   1HB   LEU  74          1HB       LEU  74   3.444   3.610  -2.788
  578   2HB   LEU  74          2HB       LEU  74   4.413   3.829  -1.349
  579    HG   LEU  74           HG       LEU  74   3.002   1.891  -1.097
  580   1HD1  LEU  74          1HD1      LEU  74   1.888   4.136   0.542
  581   2HD1  LEU  74          2HD1      LEU  74   3.490   3.436   0.784
  582   3HD1  LEU  74          3HD1      LEU  74   2.049   2.436   1.000
  583   1HD2  LEU  74          1HD2      LEU  74   1.222   2.419  -2.636
  584   2HD2  LEU  74          2HD2      LEU  74   0.691   3.748  -1.606
  585   3HD2  LEU  74          3HD2      LEU  74   0.557   2.083  -1.038
  586    H    HIS  75           H        HIS  75   4.128   7.205  -0.781
  587    HA   HIS  75           HA       HIS  75   5.818   7.359  -3.181
  588   1HB   HIS  75          1HB       HIS  75   5.063   9.617  -1.289
  589   2HB   HIS  75          2HB       HIS  75   6.285   9.745  -2.550
  590    HD1  HIS  75           HD1      HIS  75   5.480  10.029  -4.973
  591    HD2  HIS  75           HD2      HIS  75   2.384   9.578  -2.218
  592    HE1  HIS  75           HE1      HIS  75   3.368  10.604  -6.217
  593    HE2  HIS  75           HE2      HIS  75   1.503  10.357  -4.533
  594    H    ILE  76           H        ILE  76   7.238   5.942  -2.529
  595    HA   ILE  76           HA       ILE  76   8.450   6.392   0.103
  596    HB   ILE  76           HB       ILE  76   8.151   3.849  -1.433
  597   1HG1  ILE  76          1HG1      ILE  76   6.732   4.804   1.063
  598   2HG1  ILE  76          2HG1      ILE  76   6.025   4.704  -0.559
  599   1HG2  ILE  76          1HG2      ILE  76   9.205   4.308   1.347
  600   2HG2  ILE  76          2HG2      ILE  76  10.177   3.864  -0.059
  601   3HG2  ILE  76          3HG2      ILE  76   8.980   2.735   0.583
  602   1HD1  ILE  76          1HD1      ILE  76   6.238   2.321  -0.556
  603   2HD1  ILE  76          2HD1      ILE  76   5.363   2.850   0.881
  604   3HD1  ILE  76          3HD1      ILE  76   7.056   2.365   1.004
  605    H    THR  77           H        THR  77  10.113   7.482  -0.379
  606    HA   THR  77           HA       THR  77  11.951   6.646  -2.411
  607    HB   THR  77           HB       THR  77  12.928   8.869  -2.253
  608    HG1  THR  77           HG1      THR  77  12.043   9.082   0.047
  609   1HG2  THR  77          1HG2      THR  77  11.178  10.069  -3.345
  610   2HG2  THR  77          2HG2      THR  77   9.947   9.078  -2.565
  611   3HG2  THR  77          3HG2      THR  77  11.017   8.362  -3.774
  612    H    ASP  78           H        ASP  78  13.757   6.137  -1.922
  613    HA   ASP  78           HA       ASP  78  15.521   5.240  -0.866
  614   1HB   ASP  78          1HB       ASP  78  16.413   6.963   0.177
  615   2HB   ASP  78          2HB       ASP  78  14.890   7.455   0.904
  616    H    ALA  79           H        ALA  79  15.112   3.477  -0.767
  617    HA   ALA  79           HA       ALA  79  13.376   2.169   1.156
  618   1HB   ALA  79          1HB       ALA  79  14.798   1.235  -1.334
  619   2HB   ALA  79          2HB       ALA  79  13.064   1.497  -1.117
  620   3HB   ALA  79          3HB       ALA  79  13.866   0.164  -0.280
  621    H    GLN  80           H        GLN  80  14.224   1.333   2.952
  622    HA   GLN  80           HA       GLN  80  16.933   1.263   3.613
  623   1HB   GLN  80          1HB       GLN  80  15.427   1.095   5.414
  624   2HB   GLN  80          2HB       GLN  80  14.513  -0.194   4.648
  625   1HG   GLN  80          1HG       GLN  80  15.597  -1.458   6.148
  626   2HG   GLN  80          2HG       GLN  80  16.855  -1.439   4.918
  627   1HE2  GLN  80          1HE2      GLN  80  17.487   1.412   5.522
  628   2HE2  GLN  80          2HE2      GLN  80  18.392   1.357   6.986
  629    HA   PRO  81           HA       PRO  81  18.421  -1.896   0.923
  630   1HB   PRO  81          1HB       PRO  81  20.643  -2.649   2.390
  631   2HB   PRO  81          2HB       PRO  81  20.577  -1.241   1.324
  632   1HG   PRO  81          1HG       PRO  81  20.248  -1.397   4.295
  633   2HG   PRO  81          2HG       PRO  81  21.114  -0.191   3.323
  634   1HD   PRO  81          1HD       PRO  81  18.691   0.322   4.343
  635   2HD   PRO  81          2HD       PRO  81  19.162   0.926   2.740
  636    H    ALA  82           H        ALA  82  17.401  -2.474   4.092
  637    HA   ALA  82           HA       ALA  82  17.584  -5.369   3.672
  638   1HB   ALA  82          1HB       ALA  82  17.498  -5.658   6.062
  639   2HB   ALA  82          2HB       ALA  82  17.290  -3.922   6.297
  640   3HB   ALA  82          3HB       ALA  82  18.808  -4.549   5.649
  641    H    PHE  83           H        PHE  83  15.431  -3.192   2.892
  642    HA   PHE  83           HA       PHE  83  13.091  -3.996   4.418
  643   1HB   PHE  83          1HB       PHE  83  13.699  -2.314   2.004
  644   2HB   PHE  83          2HB       PHE  83  12.083  -2.954   2.152
  645    HD1  PHE  83           HD1      PHE  83  12.672  -2.611   5.405
  646    HD2  PHE  83           HD2      PHE  83  12.412  -0.081   1.980
  647    HE1  PHE  83           HE1      PHE  83  12.095  -0.713   6.849
  648    HE2  PHE  83           HE2      PHE  83  11.825   1.809   3.425
  649    HZ   PHE  83           HZ       PHE  83  11.625   1.553   5.770
  650    H    THR  84           H        THR  84  14.445  -4.681   1.191
  651    HA   THR  84           HA       THR  84  13.393  -5.619  -0.605
  652    HB   THR  84           HB       THR  84  13.062  -7.889   1.338
  653    HG1  THR  84           HG1      THR  84  15.180  -7.951   1.381
  654   1HG2  THR  84          1HG2      THR  84  13.337  -7.743  -1.671
  655   2HG2  THR  84          2HG2      THR  84  11.937  -8.310  -0.754
  656   3HG2  THR  84          3HG2      THR  84  13.431  -9.247  -0.744
  657    H    GLY  85           H        GLY  85  11.816  -4.006  -0.183
  658   1HA   GLY  85          1HA       GLY  85   9.791  -4.122   1.685
  659   2HA   GLY  85          2HA       GLY  85   9.821  -3.064   0.307
  660    H    GLY  86           H        GLY  86   8.902  -6.064   1.487
  661   1HA   GLY  86          1HA       GLY  86   7.075  -6.544  -0.706
  662   2HA   GLY  86          2HA       GLY  86   7.371  -7.611   0.647
  663    H    TYR  87           H        TYR  87   5.860  -4.761  -0.411
  664    HA   TYR  87           HA       TYR  87   4.603  -4.197   2.112
  665   1HB   TYR  87          1HB       TYR  87   4.210  -3.027  -0.650
  666   2HB   TYR  87          2HB       TYR  87   3.392  -2.446   0.794
  667    HD1  TYR  87           HD1      TYR  87   6.855  -3.182  -0.381
  668    HD2  TYR  87           HD2      TYR  87   4.317  -0.592   1.847
  669    HE1  TYR  87           HE1      TYR  87   8.766  -1.710   0.076
  670    HE2  TYR  87           HE2      TYR  87   6.229   0.879   2.332
  671    HH   TYR  87           HH       TYR  87   8.702   0.721   2.424
  672    H    ARG  88           H        ARG  88   2.985  -5.452   2.786
  673    HA   ARG  88           HA       ARG  88   1.275  -6.736   0.787
  674   1HB   ARG  88          1HB       ARG  88   2.151  -8.371   2.282
  675   2HB   ARG  88          2HB       ARG  88   1.877  -7.352   3.688
  676   1HG   ARG  88          1HG       ARG  88  -0.514  -7.668   3.494
  677   2HG   ARG  88          2HG       ARG  88  -0.296  -8.598   2.012
  678   1HD   ARG  88          1HD       ARG  88  -0.695  -9.960   4.091
  679   2HD   ARG  88          2HD       ARG  88   0.750 -10.377   3.175
  680    HE   ARG  88           HE       ARG  88   2.017  -9.095   4.865
  681   1HH1  ARG  88          1HH1      ARG  88  -1.229 -10.141   5.733
  682   2HH1  ARG  88          2HH1      ARG  88  -0.833 -10.323   7.421
  683   1HH2  ARG  88          1HH2      ARG  88   2.497  -9.340   7.089
  684   2HH2  ARG  88          2HH2      ARG  88   1.266  -9.883   8.182
  685    H    CYS  89           H        CYS  89  -0.455  -5.520   0.339
  686    HA   CYS  89           HA       CYS  89  -1.556  -3.848   2.487
  687   1HB   CYS  89          1HB       CYS  89  -1.032  -2.974   0.105
  688   2HB   CYS  89          2HB       CYS  89  -2.518  -3.804  -0.347
  689    HG   CYS  89           HG       CYS  89  -2.085  -1.028   1.501
  690    H    GLU  90           H        GLU  90  -3.413  -4.317   3.411
  691    HA   GLU  90           HA       GLU  90  -5.095  -6.419   2.227
  692   1HB   GLU  90          1HB       GLU  90  -4.290  -6.178   5.125
  693   2HB   GLU  90          2HB       GLU  90  -5.385  -7.381   4.474
  694   1HG   GLU  90          1HG       GLU  90  -3.584  -8.374   3.206
  695   2HG   GLU  90          2HG       GLU  90  -2.478  -7.111   3.740
  696    H    VAL  91           H        VAL  91  -7.097  -5.579   1.951
  697    HA   VAL  91           HA       VAL  91  -7.973  -3.542   3.873
  698    HB   VAL  91           HB       VAL  91  -8.100  -2.594   1.715
  699   1HG1  VAL  91          1HG1      VAL  91  -9.606  -5.047   0.835
  700   2HG1  VAL  91          2HG1      VAL  91  -7.973  -4.587   0.349
  701   3HG1  VAL  91          3HG1      VAL  91  -9.355  -3.601  -0.143
  702   1HG2  VAL  91          1HG2      VAL  91 -10.516  -2.195   1.411
  703   2HG2  VAL  91          2HG2      VAL  91  -9.993  -2.045   3.087
  704   3HG2  VAL  91          3HG2      VAL  91 -10.843  -3.494   2.557
  705    H    SER  92           H        SER  92  -9.742  -3.739   4.996
  706    HA   SER  92           HA       SER  92 -11.300  -6.210   4.765
  707   1HB   SER  92          1HB       SER  92  -9.657  -6.497   6.591
  708   2HB   SER  92          2HB       SER  92 -10.238  -5.015   7.345
  709    HG   SER  92           HG       SER  92 -11.561  -7.503   7.057
  710    H    THR  93           H        THR  93 -13.221  -5.533   4.230
  711    HA   THR  93           HA       THR  93 -14.347  -3.147   5.546
  712    HB   THR  93           HB       THR  93 -15.076  -3.892   2.763
  713    HG1  THR  93           HG1      THR  93 -12.703  -3.686   3.062
  714   1HG2  THR  93          1HG2      THR  93 -16.365  -2.154   3.912
  715   2HG2  THR  93          2HG2      THR  93 -15.450  -1.480   2.564
  716   3HG2  THR  93          3HG2      THR  93 -14.877  -1.258   4.216
  717    H    LYS  94           H        LYS  94 -16.771  -3.098   5.159
  718    HA   LYS  94           HA       LYS  94 -18.504  -4.373   6.344
  719   1HB   LYS  94          1HB       LYS  94 -19.901  -4.867   4.148
  720   2HB   LYS  94          2HB       LYS  94 -19.588  -3.244   4.716
  721   1HG   LYS  94          1HG       LYS  94 -19.237  -3.206   2.385
  722   2HG   LYS  94          2HG       LYS  94 -17.636  -3.162   3.113
  723   1HD   LYS  94          1HD       LYS  94 -17.439  -4.647   1.338
  724   2HD   LYS  94          2HD       LYS  94 -17.604  -5.677   2.750
  725   1HE   LYS  94          1HE       LYS  94 -19.703  -5.043   0.691
  726   2HE   LYS  94          2HE       LYS  94 -18.907  -6.589   0.978
  727   1HZ   LYS  94          1HZ       LYS  94 -19.984  -6.473   3.256
  728   2HZ   LYS  94          2HZ       LYS  94 -20.994  -6.791   1.936
  729   3HZ   LYS  94          3HZ       LYS  94 -20.962  -5.239   2.630
  730    H    ASP  95           H        ASP  95 -17.408  -6.143   3.556
  731    HA   ASP  95           HA       ASP  95 -17.427  -8.679   4.810
  732   1HB   ASP  95          1HB       ASP  95 -19.846  -8.040   4.313
  733   2HB   ASP  95          2HB       ASP  95 -19.440  -8.250   2.625
  734    H    LYS  96           H        LYS  96 -16.172  -6.601   2.723
  735    HA   LYS  96           HA       LYS  96 -15.557  -8.579   0.714
  736   1HB   LYS  96          1HB       LYS  96 -16.019  -5.780   0.232
  737   2HB   LYS  96          2HB       LYS  96 -14.334  -6.130  -0.021
  738   1HG   LYS  96          1HG       LYS  96 -15.478  -8.241  -1.218
  739   2HG   LYS  96          2HG       LYS  96 -16.655  -6.961  -1.531
  740   1HD   LYS  96          1HD       LYS  96 -15.163  -5.690  -2.716
  741   2HD   LYS  96          2HD       LYS  96 -13.760  -6.401  -1.913
  742   1HE   LYS  96          1HE       LYS  96 -14.168  -8.503  -3.130
  743   2HE   LYS  96          2HE       LYS  96 -15.523  -7.731  -3.962
  744   1HZ   LYS  96          1HZ       LYS  96 -13.923  -6.040  -4.733
  745   2HZ   LYS  96          2HZ       LYS  96 -13.650  -7.589  -5.372
  746   3HZ   LYS  96          3HZ       LYS  96 -12.653  -6.994  -4.118
  747    H    PHE  97           H        PHE  97 -13.607  -9.064   0.284
  748    HA   PHE  97           HA       PHE  97 -11.466  -8.013   1.986
  749   1HB   PHE  97          1HB       PHE  97 -12.455 -10.199   2.734
  750   2HB   PHE  97          2HB       PHE  97 -11.769 -10.919   1.286
  751    HD1  PHE  97           HD1      PHE  97 -10.923  -9.193   4.436
  752    HD2  PHE  97           HD2      PHE  97  -9.486 -11.479   1.154
  753    HE1  PHE  97           HE1      PHE  97  -8.774  -9.485   5.594
  754    HE2  PHE  97           HE2      PHE  97  -7.329 -11.778   2.308
  755    HZ   PHE  97           HZ       PHE  97  -6.968 -10.779   4.528
  756    H    ASP  98           H        ASP  98  -9.621  -7.673   1.042
  757    HA   ASP  98           HA       ASP  98  -8.852  -8.952  -1.429
  758   1HB   ASP  98          1HB       ASP  98  -9.701  -6.088  -1.354
  759   2HB   ASP  98          2HB       ASP  98  -8.318  -6.511  -2.345
  760    H    CYS  99           H        CYS  99  -6.618  -8.621  -1.909
  761    HA   CYS  99           HA       CYS  99  -5.026  -7.084  -0.051
  762   1HB   CYS  99          1HB       CYS  99  -3.636  -9.091   0.575
  763   2HB   CYS  99          2HB       CYS  99  -5.242  -9.046   1.284
  764    HG   CYS  99           HG       CYS  99  -4.804 -11.689   0.691
  765    H    SER 100           H        SER 100  -2.828  -6.879  -0.659
  766    HA   SER 100           HA       SER 100  -2.294  -7.739  -3.437
  767   1HB   SER 100          1HB       SER 100  -1.391  -5.531  -3.967
  768   2HB   SER 100          2HB       SER 100  -3.058  -5.405  -3.448
  769    HG   SER 100           HG       SER 100  -0.800  -4.372  -2.322
  770    H    ASN 101           H        ASN 101  -0.167  -8.041  -4.029
  771    HA   ASN 101           HA       ASN 101   1.792  -8.115  -1.837
  772   1HB   ASN 101          1HB       ASN 101   2.672 -10.214  -3.042
  773   2HB   ASN 101          2HB       ASN 101   1.171 -10.385  -2.142
  774   1HD2  ASN 101          1HD2      ASN 101   2.599 -10.214  -5.308
  775   2HD2  ASN 101          2HD2      ASN 101   1.218 -10.772  -6.175
  776    H    PHE 102           H        PHE 102   3.369  -6.654  -2.338
  777    HA   PHE 102           HA       PHE 102   4.601  -6.941  -4.957
  778   1HB   PHE 102          1HB       PHE 102   4.769  -4.373  -5.084
  779   2HB   PHE 102          2HB       PHE 102   3.278  -5.159  -5.580
  780    HD1  PHE 102           HD1      PHE 102   4.798  -2.772  -3.424
  781    HD2  PHE 102           HD2      PHE 102   1.340  -5.173  -3.976
  782    HE1  PHE 102           HE1      PHE 102   3.549  -1.323  -1.888
  783    HE2  PHE 102           HE2      PHE 102   0.082  -3.731  -2.445
  784    HZ   PHE 102           HZ       PHE 102   1.189  -1.800  -1.395
  785    H    ASN 103           H        ASN 103   6.727  -6.856  -4.908
  786    HA   ASN 103           HA       ASN 103   7.954  -6.314  -2.320
  787   1HB   ASN 103          1HB       ASN 103   9.708  -7.925  -3.675
  788   2HB   ASN 103          2HB       ASN 103   8.578  -8.435  -2.455
  789   1HD2  ASN 103          1HD2      ASN 103   9.289  -8.354  -5.799
  790   2HD2  ASN 103          2HD2      ASN 103   8.085  -9.484  -6.270
  791    H    LEU 104           H        LEU 104   9.418  -4.936  -2.145
  792    HA   LEU 104           HA       LEU 104  10.550  -3.617  -4.497
  793   1HB   LEU 104          1HB       LEU 104   9.835  -1.876  -3.240
  794   2HB   LEU 104          2HB       LEU 104   9.949  -2.749  -1.724
  795    HG   LEU 104           HG       LEU 104  12.537  -2.307  -2.692
  796   1HD1  LEU 104          1HD1      LEU 104  10.799   0.118  -2.849
  797   2HD1  LEU 104          2HD1      LEU 104  11.712  -0.632  -4.163
  798   3HD1  LEU 104          3HD1      LEU 104  12.563   0.152  -2.830
  799   1HD2  LEU 104          1HD2      LEU 104  12.716  -2.099  -0.475
  800   2HD2  LEU 104          2HD2      LEU 104  10.983  -1.794  -0.319
  801   3HD2  LEU 104          3HD2      LEU 104  12.085  -0.461  -0.659
  802    H    THR 105           H        THR 105  12.373  -4.480  -5.143
  803    HA   THR 105           HA       THR 105  14.115  -5.803  -3.242
  804    HB   THR 105           HB       THR 105  14.643  -5.619  -6.204
  805    HG1  THR 105           HG1      THR 105  12.407  -6.487  -5.325
  806   1HG2  THR 105          1HG2      THR 105  15.208  -7.747  -4.135
  807   2HG2  THR 105          2HG2      THR 105  16.371  -6.545  -4.697
  808   3HG2  THR 105          3HG2      THR 105  15.741  -7.753  -5.820
  809    H    VAL 106           H        VAL 106  15.183  -4.315  -2.158
  810    HA   VAL 106           HA       VAL 106  16.137  -1.913  -3.366
  811    HB   VAL 106           HB       VAL 106  15.058  -1.726  -1.181
  812   1HG1  VAL 106          1HG1      VAL 106  15.437  -3.849  -0.269
  813   2HG1  VAL 106          2HG1      VAL 106  16.118  -2.637   0.824
  814   3HG1  VAL 106          3HG1      VAL 106  17.182  -3.578  -0.226
  815   1HG2  VAL 106          1HG2      VAL 106  17.993  -1.130  -1.102
  816   2HG2  VAL 106          2HG2      VAL 106  16.787  -0.457  -0.009
  817   3HG2  VAL 106          3HG2      VAL 106  16.723  -0.073  -1.733
  818    H    HIS 107           H        HIS 107  17.934  -1.807  -4.187
  819    HA   HIS 107           HA       HIS 107  20.109  -3.632  -3.378
  820   1HB   HIS 107          1HB       HIS 107  19.710  -2.191  -5.994
  821   2HB   HIS 107          2HB       HIS 107  21.066  -3.248  -5.611
  822    HD1  HIS 107           HD1      HIS 107  20.145  -5.790  -4.821
  823    HD2  HIS 107           HD2      HIS 107  17.801  -3.474  -7.342
  824    HE1  HIS 107           HE1      HIS 107  18.564  -7.390  -5.928
  825    HE2  HIS 107           HE2      HIS 107  17.359  -6.006  -7.658
  826    H    GLU 108           H        GLU 108  20.812  -2.187  -1.740
  827    HA   GLU 108           HA       GLU 108  22.110   0.219  -2.163
  828   1HB   GLU 108          1HB       GLU 108  21.844  -0.994   0.040
  829   2HB   GLU 108          2HB       GLU 108  23.181  -2.025  -0.448
  830   1HG   GLU 108          1HG       GLU 108  24.611  -0.023  -0.644
  831   2HG   GLU 108          2HG       GLU 108  23.270   0.952  -0.044
  832    H    ALA 109           H        ALA 109  23.365   0.530  -3.935
  833    HA   ALA 109           HA       ALA 109  25.285  -1.506  -4.726
  834   1HB   ALA 109          1HB       ALA 109  24.760   1.234  -5.892
  835   2HB   ALA 109          2HB       ALA 109  24.067  -0.282  -6.469
  836   3HB   ALA 109          3HB       ALA 109  25.804  -0.006  -6.590
  837    H    MET 110           H        MET 110  25.726   1.984  -4.475
  838    HA   MET 110           HA       MET 110  27.373   2.117  -2.258
  839   1HB   MET 110          1HB       MET 110  28.926   0.678  -3.536
  840   2HB   MET 110          2HB       MET 110  28.942   1.860  -4.833
  841   1HG   MET 110          1HG       MET 110  29.918   3.506  -3.294
  842   2HG   MET 110          2HG       MET 110  29.956   2.272  -2.035
  843   1HE   MET 110          1HE       MET 110  33.723   2.772  -3.102
  844   2HE   MET 110          2HE       MET 110  32.568   2.885  -1.776
  845   3HE   MET 110          3HE       MET 110  32.474   4.013  -3.127
  Start of MODEL    4
    1    H    ASP   1           H        ASP   1 -20.254 -10.269   1.058
    2    HA   ASP   1           HA       ASP   1 -18.237  -9.475   0.015
    3   1HB   ASP   1          1HB       ASP   1 -16.864 -11.162   0.176
    4   2HB   ASP   1          2HB       ASP   1 -17.902 -12.383  -0.543
    5    H    ASP   2           H        ASP   2 -19.242  -8.270  -0.840
    6    HA   ASP   2           HA       ASP   2 -21.515  -8.822  -2.595
    7   1HB   ASP   2          1HB       ASP   2 -20.641  -6.570  -0.816
    8   2HB   ASP   2          2HB       ASP   2 -22.087  -6.510  -1.804
    9    HA   PRO   3           HA       PRO   3 -19.563  -6.877  -6.071
   10   1HB   PRO   3          1HB       PRO   3 -21.520  -5.196  -7.033
   11   2HB   PRO   3          2HB       PRO   3 -21.447  -6.936  -7.337
   12   1HG   PRO   3          1HG       PRO   3 -23.062  -5.422  -5.331
   13   2HG   PRO   3          2HG       PRO   3 -23.525  -6.819  -6.321
   14   1HD   PRO   3          1HD       PRO   3 -22.882  -7.065  -3.713
   15   2HD   PRO   3          2HD       PRO   3 -22.485  -8.324  -4.902
   16    H    ILE   4           H        ILE   4 -18.104  -5.785  -4.609
   17    HA   ILE   4           HA       ILE   4 -18.398  -2.844  -4.634
   18    HB   ILE   4           HB       ILE   4 -16.852  -4.771  -2.930
   19   1HG1  ILE   4          1HG1      ILE   4 -17.695  -3.038  -1.176
   20   2HG1  ILE   4          2HG1      ILE   4 -18.755  -2.485  -2.469
   21   1HG2  ILE   4          1HG2      ILE   4 -16.163  -1.826  -3.158
   22   2HG2  ILE   4          2HG2      ILE   4 -15.149  -3.175  -3.681
   23   3HG2  ILE   4          3HG2      ILE   4 -15.513  -2.961  -1.970
   24   1HD1  ILE   4          1HD1      ILE   4 -19.642  -4.773  -2.650
   25   2HD1  ILE   4          2HD1      ILE   4 -19.912  -4.040  -1.068
   26   3HD1  ILE   4          3HD1      ILE   4 -18.626  -5.235  -1.280
   27    H    GLY   5           H        GLY   5 -15.747  -5.189  -4.734
   28   1HA   GLY   5          1HA       GLY   5 -14.092  -5.417  -6.425
   29   2HA   GLY   5          2HA       GLY   5 -14.695  -3.930  -7.156
   30    H    LEU   6           H        LEU   6 -13.665  -4.926  -3.995
   31    HA   LEU   6           HA       LEU   6 -13.122  -2.426  -2.998
   32   1HB   LEU   6          1HB       LEU   6 -13.403  -4.785  -1.930
   33   2HB   LEU   6          2HB       LEU   6 -11.663  -4.866  -2.093
   34    HG   LEU   6           HG       LEU   6 -11.353  -3.043  -0.608
   35   1HD1  LEU   6          1HD1      LEU   6 -13.172  -1.789   0.375
   36   2HD1  LEU   6          2HD1      LEU   6 -14.349  -2.736  -0.526
   37   3HD1  LEU   6          3HD1      LEU   6 -13.246  -1.657  -1.381
   38   1HD2  LEU   6          1HD2      LEU   6 -11.744  -5.212   0.385
   39   2HD2  LEU   6          2HD2      LEU   6 -13.480  -4.902   0.407
   40   3HD2  LEU   6          3HD2      LEU   6 -12.399  -3.933   1.408
   41    H    PHE   7           H        PHE   7 -10.839  -4.849  -4.191
   42    HA   PHE   7           HA       PHE   7  -8.745  -2.880  -4.286
   43   1HB   PHE   7          1HB       PHE   7  -8.960  -5.736  -4.296
   44   2HB   PHE   7          2HB       PHE   7  -7.937  -5.202  -5.629
   45    HD1  PHE   7           HD1      PHE   7  -7.761  -2.829  -3.068
   46    HD2  PHE   7           HD2      PHE   7  -6.384  -6.699  -4.139
   47    HE1  PHE   7           HE1      PHE   7  -5.869  -2.586  -1.503
   48    HE2  PHE   7           HE2      PHE   7  -4.494  -6.469  -2.609
   49    HZ   PHE   7           HZ       PHE   7  -4.227  -4.422  -1.274
   50    H    VAL   8           H        VAL   8  -9.720  -1.476  -5.697
   51    HA   VAL   8           HA       VAL   8 -10.559  -2.100  -8.318
   52    HB   VAL   8           HB       VAL   8  -9.458   0.546  -7.361
   53   1HG1  VAL   8          1HG1      VAL   8 -11.061   1.454  -9.045
   54   2HG1  VAL   8          2HG1      VAL   8 -11.339  -0.203  -9.587
   55   3HG1  VAL   8          3HG1      VAL   8  -9.736   0.515  -9.731
   56   1HG2  VAL   8          1HG2      VAL   8 -11.787   1.114  -6.776
   57   2HG2  VAL   8          2HG2      VAL   8 -11.146  -0.202  -5.787
   58   3HG2  VAL   8          3HG2      VAL   8 -12.257  -0.550  -7.114
   59    H    MET   9           H        MET   9  -7.516  -0.953  -6.962
   60    HA   MET   9           HA       MET   9  -6.142  -2.360  -9.121
   61   1HB   MET   9          1HB       MET   9  -6.065   0.037  -9.728
   62   2HB   MET   9          2HB       MET   9  -5.315   0.380  -8.176
   63   1HG   MET   9          1HG       MET   9  -3.448  -1.146  -8.834
   64   2HG   MET   9          2HG       MET   9  -4.171  -1.225 -10.440
   65   1HE   MET   9          1HE       MET   9  -1.131  -0.279  -9.960
   66   2HE   MET   9          2HE       MET   9  -1.087   1.051 -11.116
   67   3HE   MET   9          3HE       MET   9  -1.932  -0.441 -11.524
   68    H    ARG  10           H        ARG  10  -4.475  -3.520  -8.376
   69    HA   ARG  10           HA       ARG  10  -4.026  -3.401  -5.495
   70   1HB   ARG  10          1HB       ARG  10  -3.210  -5.605  -7.397
   71   2HB   ARG  10          2HB       ARG  10  -3.214  -5.648  -5.637
   72   1HG   ARG  10          1HG       ARG  10  -5.692  -5.372  -5.703
   73   2HG   ARG  10          2HG       ARG  10  -5.612  -5.548  -7.458
   74   1HD   ARG  10          1HD       ARG  10  -4.873  -7.782  -7.299
   75   2HD   ARG  10          2HD       ARG  10  -4.470  -7.610  -5.587
   76    HE   ARG  10           HE       ARG  10  -6.950  -7.383  -5.244
   77   1HH1  ARG  10          1HH1      ARG  10  -5.703  -9.107  -8.022
   78   2HH1  ARG  10          2HH1      ARG  10  -7.056 -10.184  -8.117
   79   1HH2  ARG  10          1HH2      ARG  10  -8.722  -8.791  -5.346
   80   2HH2  ARG  10          2HH2      ARG  10  -8.788 -10.003  -6.603
   81    HA   PRO  11           HA       PRO  11  -0.157  -1.380  -6.237
   82   1HB   PRO  11          1HB       PRO  11   0.972  -2.145  -3.810
   83   2HB   PRO  11          2HB       PRO  11   0.014  -0.702  -4.091
   84   1HG   PRO  11          1HG       PRO  11  -0.763  -3.253  -2.871
   85   2HG   PRO  11          2HG       PRO  11  -1.357  -1.627  -2.537
   86   1HD   PRO  11          1HD       PRO  11  -2.776  -3.470  -3.936
   87   2HD   PRO  11          2HD       PRO  11  -2.920  -1.721  -4.210
   88    H    GLN  12           H        GLN  12   2.043  -1.943  -6.608
   89    HA   GLN  12           HA       GLN  12   2.421  -4.819  -7.065
   90   1HB   GLN  12          1HB       GLN  12   2.907  -2.495  -8.913
   91   2HB   GLN  12          2HB       GLN  12   3.392  -4.150  -9.250
   92   1HG   GLN  12          1HG       GLN  12   0.565  -3.310  -8.707
   93   2HG   GLN  12          2HG       GLN  12   1.259  -3.438 -10.323
   94   1HE2  GLN  12          1HE2      GLN  12   0.420  -5.272  -7.403
   95   2HE2  GLN  12          2HE2      GLN  12   0.302  -6.803  -8.211
   96    H    ASP  13           H        ASP  13   4.787  -5.280  -7.710
   97    HA   ASP  13           HA       ASP  13   6.448  -4.604  -5.653
   98   1HB   ASP  13          1HB       ASP  13   7.159  -5.762  -8.352
   99   2HB   ASP  13          2HB       ASP  13   7.941  -6.053  -6.815
  100    H    GLY  14           H        GLY  14   8.720  -4.574  -7.438
  101   1HA   GLY  14          1HA       GLY  14   9.377  -2.617  -9.026
  102   2HA   GLY  14          2HA       GLY  14   9.004  -1.673  -7.598
  103    H    GLU  15           H        GLU  15  11.401  -2.512  -9.212
  104    HA   GLU  15           HA       GLU  15  13.147  -3.226  -6.957
  105   1HB   GLU  15          1HB       GLU  15  13.880  -3.623  -9.854
  106   2HB   GLU  15          2HB       GLU  15  14.594  -4.371  -8.436
  107   1HG   GLU  15          1HG       GLU  15  13.390  -6.143  -9.109
  108   2HG   GLU  15          2HG       GLU  15  12.093  -5.330  -8.236
  109    H    VAL  16           H        VAL  16  14.378  -1.524  -6.303
  110    HA   VAL  16           HA       VAL  16  15.097   0.507  -8.185
  111    HB   VAL  16           HB       VAL  16  14.278   2.228  -6.891
  112   1HG1  VAL  16          1HG1      VAL  16  12.160   0.125  -6.724
  113   2HG1  VAL  16          2HG1      VAL  16  12.496   1.166  -8.107
  114   3HG1  VAL  16          3HG1      VAL  16  11.896   1.865  -6.605
  115   1HG2  VAL  16          1HG2      VAL  16  14.990   1.652  -4.702
  116   2HG2  VAL  16          2HG2      VAL  16  13.873   0.287  -4.642
  117   3HG2  VAL  16          3HG2      VAL  16  13.249   1.937  -4.622
  118    H    THR  17           H        THR  17  16.621   1.914  -7.098
  119    HA   THR  17           HA       THR  17  18.676   0.304  -5.852
  120    HB   THR  17           HB       THR  17  19.236   3.140  -6.383
  121    HG1  THR  17           HG1      THR  17  19.265   2.713  -8.707
  122   1HG2  THR  17          1HG2      THR  17  20.974   1.480  -5.879
  123   2HG2  THR  17          2HG2      THR  17  21.217   2.221  -7.459
  124   3HG2  THR  17          3HG2      THR  17  20.543   0.594  -7.341
  125    H    VAL  18           H        VAL  18  19.783   1.037  -3.944
  126    HA   VAL  18           HA       VAL  18  18.204   2.286  -1.963
  127    HB   VAL  18           HB       VAL  18  21.165   1.813  -1.897
  128   1HG1  VAL  18          1HG1      VAL  18  20.935   2.021   0.530
  129   2HG1  VAL  18          2HG1      VAL  18  19.221   2.382   0.326
  130   3HG1  VAL  18          3HG1      VAL  18  20.440   3.494  -0.304
  131   1HG2  VAL  18          1HG2      VAL  18  19.921  -0.287  -2.159
  132   2HG2  VAL  18          2HG2      VAL  18  18.962   0.126  -0.737
  133   3HG2  VAL  18          3HG2      VAL  18  20.694  -0.177  -0.574
  134    H    GLY  19           H        GLY  19  17.725   4.149  -2.343
  135   1HA   GLY  19          1HA       GLY  19  18.530   6.412  -1.605
  136   2HA   GLY  19          2HA       GLY  19  19.833   6.171  -2.761
  137    H    GLY  20           H        GLY  20  17.205   4.818  -4.239
  138   1HA   GLY  20          1HA       GLY  20  16.603   7.283  -5.647
  139   2HA   GLY  20          2HA       GLY  20  16.118   5.656  -6.092
  140    H    SER  21           H        SER  21  14.192   5.458  -5.969
  141    HA   SER  21           HA       SER  21  12.743   5.928  -3.602
  142   1HB   SER  21          1HB       SER  21  10.928   6.980  -4.983
  143   2HB   SER  21          2HB       SER  21  12.315   7.961  -4.625
  144    HG   SER  21           HG       SER  21  12.258   8.279  -6.719
  145    H    ILE  22           H        ILE  22  10.639   5.021  -3.783
  146    HA   ILE  22           HA       ILE  22   9.997   3.358  -6.002
  147    HB   ILE  22           HB       ILE  22  11.005   1.749  -4.574
  148   1HG1  ILE  22          1HG1      ILE  22   9.054   0.250  -4.159
  149   2HG1  ILE  22          2HG1      ILE  22   8.013   1.585  -4.621
  150   1HG2  ILE  22          1HG2      ILE  22   9.098   2.573  -2.410
  151   2HG2  ILE  22          2HG2      ILE  22  10.839   2.856  -2.426
  152   3HG2  ILE  22          3HG2      ILE  22  10.216   1.209  -2.341
  153   1HD1  ILE  22          1HD1      ILE  22   8.335   0.064  -6.470
  154   2HD1  ILE  22          2HD1      ILE  22  10.083   0.257  -6.352
  155   3HD1  ILE  22          3HD1      ILE  22   9.074   1.626  -6.826
  156    H    THR  23           H        THR  23   7.885   3.006  -6.094
  157    HA   THR  23           HA       THR  23   6.172   4.762  -4.532
  158    HB   THR  23           HB       THR  23   6.228   4.910  -7.537
  159    HG1  THR  23           HG1      THR  23   8.031   5.919  -6.192
  160   1HG2  THR  23          1HG2      THR  23   4.747   6.570  -5.497
  161   2HG2  THR  23          2HG2      THR  23   4.024   5.343  -6.542
  162   3HG2  THR  23          3HG2      THR  23   4.714   6.807  -7.247
  163    H    PHE  24           H        PHE  24   4.324   3.966  -4.160
  164    HA   PHE  24           HA       PHE  24   3.275   1.740  -5.746
  165   1HB   PHE  24          1HB       PHE  24   3.152   2.107  -2.750
  166   2HB   PHE  24          2HB       PHE  24   2.439   0.792  -3.664
  167    HD1  PHE  24           HD1      PHE  24   4.184  -0.486  -5.217
  168    HD2  PHE  24           HD2      PHE  24   5.157   1.748  -1.737
  169    HE1  PHE  24           HE1      PHE  24   6.276  -1.759  -4.991
  170    HE2  PHE  24           HE2      PHE  24   7.245   0.479  -1.502
  171    HZ   PHE  24           HZ       PHE  24   7.808  -1.278  -3.133
  172    H    SER  25           H        SER  25   1.124   1.723  -5.993
  173    HA   SER  25           HA       SER  25  -0.523   3.758  -4.760
  174   1HB   SER  25          1HB       SER  25  -1.318   3.106  -7.484
  175   2HB   SER  25          2HB       SER  25  -1.179   4.670  -6.698
  176    HG   SER  25           HG       SER  25   1.090   4.550  -7.039
  177    H    ALA  26           H        ALA  26  -2.133   2.870  -3.838
  178    HA   ALA  26           HA       ALA  26  -3.182   0.285  -4.784
  179   1HB   ALA  26          1HB       ALA  26  -3.685  -0.340  -2.508
  180   2HB   ALA  26          2HB       ALA  26  -3.167   1.241  -1.917
  181   3HB   ALA  26          3HB       ALA  26  -1.988   0.137  -2.591
  182    H    ARG  27           H        ARG  27  -5.158   0.451  -5.592
  183    HA   ARG  27           HA       ARG  27  -6.765   2.809  -4.893
  184   1HB   ARG  27          1HB       ARG  27  -6.709   0.994  -7.288
  185   2HB   ARG  27          2HB       ARG  27  -8.081   2.048  -6.970
  186   1HG   ARG  27          1HG       ARG  27  -6.690   3.992  -7.135
  187   2HG   ARG  27          2HG       ARG  27  -5.241   2.991  -7.268
  188   1HD   ARG  27          1HD       ARG  27  -5.804   2.241  -9.409
  189   2HD   ARG  27          2HD       ARG  27  -7.498   2.687  -9.218
  190    HE   ARG  27           HE       ARG  27  -6.732   5.049  -9.353
  191   1HH1  ARG  27          1HH1      ARG  27  -4.743   2.506 -10.733
  192   2HH1  ARG  27          2HH1      ARG  27  -4.040   3.553 -11.927
  193   1HH2  ARG  27          1HH2      ARG  27  -5.829   6.386 -10.955
  194   2HH2  ARG  27          2HH2      ARG  27  -4.658   5.732 -12.063
  195    H    VAL  28           H        VAL  28  -8.492   2.546  -3.630
  196    HA   VAL  28           HA       VAL  28  -9.724  -0.093  -3.489
  197    HB   VAL  28           HB       VAL  28  -9.549   1.815  -1.170
  198   1HG1  VAL  28          1HG1      VAL  28 -11.435   0.216  -1.195
  199   2HG1  VAL  28          2HG1      VAL  28 -10.305  -0.091   0.128
  200   3HG1  VAL  28          3HG1      VAL  28 -10.279  -1.113  -1.310
  201   1HG2  VAL  28          1HG2      VAL  28  -7.849   0.266  -0.256
  202   2HG2  VAL  28          2HG2      VAL  28  -7.307   1.128  -1.694
  203   3HG2  VAL  28          3HG2      VAL  28  -7.807  -0.560  -1.812
  204    H    ALA  29           H        ALA  29 -11.673  -0.110  -3.887
  205    HA   ALA  29           HA       ALA  29 -13.278   1.993  -4.713
  206   1HB   ALA  29          1HB       ALA  29 -14.014  -0.785  -3.801
  207   2HB   ALA  29          2HB       ALA  29 -13.690  -0.260  -5.455
  208   3HB   ALA  29          3HB       ALA  29 -15.118   0.334  -4.603
  209    H    GLY  30           H        GLY  30 -13.866   3.549  -3.483
  210   1HA   GLY  30          1HA       GLY  30 -14.452   3.607  -0.769
  211   2HA   GLY  30          2HA       GLY  30 -15.195   4.666  -1.964
  212    H    ALA  31           H        ALA  31 -16.426   2.607  -3.483
  213    HA   ALA  31           HA       ALA  31 -18.215   1.227  -3.642
  214   1HB   ALA  31          1HB       ALA  31 -17.429   0.344  -0.877
  215   2HB   ALA  31          2HB       ALA  31 -16.581  -0.137  -2.346
  216   3HB   ALA  31          3HB       ALA  31 -18.268  -0.601  -2.118
  217    H    SER  32           H        SER  32 -20.169   0.298  -2.261
  218    HA   SER  32           HA       SER  32 -21.226   2.398  -0.492
  219   1HB   SER  32          1HB       SER  32 -22.620   1.664  -2.518
  220   2HB   SER  32          2HB       SER  32 -22.811   0.115  -1.696
  221    HG   SER  32           HG       SER  32 -23.412   2.556  -0.402
  222    H    LEU  33           H        LEU  33 -21.173   1.888   1.652
  223    HA   LEU  33           HA       LEU  33 -20.763  -0.823   2.469
  224   1HB   LEU  33          1HB       LEU  33 -18.552  -0.590   3.158
  225   2HB   LEU  33          2HB       LEU  33 -18.624  -0.075   1.504
  226    HG   LEU  33           HG       LEU  33 -17.975   1.492   3.961
  227   1HD1  LEU  33          1HD1      LEU  33 -16.295   2.422   2.336
  228   2HD1  LEU  33          2HD1      LEU  33 -16.838   1.163   1.222
  229   3HD1  LEU  33          3HD1      LEU  33 -16.137   0.726   2.777
  230   1HD2  LEU  33          1HD2      LEU  33 -19.774   2.825   3.033
  231   2HD2  LEU  33          2HD2      LEU  33 -19.035   2.742   1.430
  232   3HD2  LEU  33          3HD2      LEU  33 -18.220   3.603   2.735
  233    H    LEU  34           H        LEU  34 -20.248  -1.007   4.787
  234    HA   LEU  34           HA       LEU  34 -22.119   0.378   6.375
  235   1HB   LEU  34          1HB       LEU  34 -21.190  -1.938   6.742
  236   2HB   LEU  34          2HB       LEU  34 -19.718  -1.184   7.322
  237    HG   LEU  34           HG       LEU  34 -21.247   0.002   9.024
  238   1HD1  LEU  34          1HD1      LEU  34 -23.371  -0.539   8.007
  239   2HD1  LEU  34          2HD1      LEU  34 -23.267  -1.279   9.606
  240   3HD1  LEU  34          3HD1      LEU  34 -23.032  -2.262   8.162
  241   1HD2  LEU  34          1HD2      LEU  34 -21.118  -1.948  10.540
  242   2HD2  LEU  34          2HD2      LEU  34 -19.616  -1.675   9.657
  243   3HD2  LEU  34          3HD2      LEU  34 -20.710  -2.966   9.158
  244    H    LYS  35           H        LYS  35 -18.606   0.284   6.794
  245    HA   LYS  35           HA       LYS  35 -18.606   3.189   7.126
  246   1HB   LYS  35          1HB       LYS  35 -16.730   2.871   8.815
  247   2HB   LYS  35          2HB       LYS  35 -18.341   2.450   9.366
  248   1HG   LYS  35          1HG       LYS  35 -16.973   0.770  10.209
  249   2HG   LYS  35          2HG       LYS  35 -17.726   0.043   8.792
  250   1HD   LYS  35          1HD       LYS  35 -15.752   0.264   7.509
  251   2HD   LYS  35          2HD       LYS  35 -15.014   1.346   8.693
  252   1HE   LYS  35          1HE       LYS  35 -15.702  -1.544   9.207
  253   2HE   LYS  35          2HE       LYS  35 -14.107  -0.970   8.731
  254   1HZ   LYS  35          1HZ       LYS  35 -15.552  -0.197  11.209
  255   2HZ   LYS  35          2HZ       LYS  35 -14.017   0.361  10.754
  256   3HZ   LYS  35          3HZ       LYS  35 -14.251  -1.280  11.115
  257    HA   PRO  36           HA       PRO  36 -15.533   3.551   4.029
  258   1HB   PRO  36          1HB       PRO  36 -13.358   4.561   5.530
  259   2HB   PRO  36          2HB       PRO  36 -14.558   5.496   4.636
  260   1HG   PRO  36          1HG       PRO  36 -14.438   4.849   7.536
  261   2HG   PRO  36          2HG       PRO  36 -15.075   6.292   6.724
  262   1HD   PRO  36          1HD       PRO  36 -16.720   4.455   7.757
  263   2HD   PRO  36          2HD       PRO  36 -17.101   5.265   6.223
  264    HA   PRO  37           HA       PRO  37 -13.318  -0.207   4.188
  265   1HB   PRO  37          1HB       PRO  37 -11.320   0.663   2.342
  266   2HB   PRO  37          2HB       PRO  37 -12.668  -0.430   2.054
  267   1HG   PRO  37          1HG       PRO  37 -12.412   2.165   1.031
  268   2HG   PRO  37          2HG       PRO  37 -13.888   1.184   1.036
  269   1HD   PRO  37          1HD       PRO  37 -13.184   3.498   2.672
  270   2HD   PRO  37          2HD       PRO  37 -14.768   2.745   2.386
  271    H    VAL  38           H        VAL  38 -11.761  -0.992   5.385
  272    HA   VAL  38           HA       VAL  38  -9.754   0.833   6.436
  273    HB   VAL  38           HB       VAL  38 -10.006  -1.920   7.459
  274   1HG1  VAL  38          1HG1      VAL  38  -8.224  -0.502   8.257
  275   2HG1  VAL  38          2HG1      VAL  38  -9.349  -0.861   9.570
  276   3HG1  VAL  38          3HG1      VAL  38  -9.398   0.710   8.773
  277   1HG2  VAL  38          1HG2      VAL  38 -11.732  -1.306   9.083
  278   2HG2  VAL  38          2HG2      VAL  38 -12.337  -1.203   7.428
  279   3HG2  VAL  38          3HG2      VAL  38 -11.896   0.266   8.299
  280    H    VAL  39           H        VAL  39  -8.252   0.768   5.141
  281    HA   VAL  39           HA       VAL  39  -7.219  -1.725   4.083
  282    HB   VAL  39           HB       VAL  39  -6.239   0.935   3.185
  283   1HG1  VAL  39          1HG1      VAL  39  -5.869  -0.252   1.075
  284   2HG1  VAL  39          2HG1      VAL  39  -6.543  -1.709   1.804
  285   3HG1  VAL  39          3HG1      VAL  39  -5.056  -1.009   2.448
  286   1HG2  VAL  39          1HG2      VAL  39  -8.687  -0.335   1.981
  287   2HG2  VAL  39          2HG2      VAL  39  -7.932   1.192   1.514
  288   3HG2  VAL  39          3HG2      VAL  39  -8.723   1.037   3.082
  289    H    LYS  40           H        LYS  40  -5.700  -2.373   5.265
  290    HA   LYS  40           HA       LYS  40  -3.857  -0.571   6.536
  291   1HB   LYS  40          1HB       LYS  40  -3.230  -2.493   7.925
  292   2HB   LYS  40          2HB       LYS  40  -4.904  -2.046   8.094
  293   1HG   LYS  40          1HG       LYS  40  -5.243  -4.264   7.886
  294   2HG   LYS  40          2HG       LYS  40  -5.086  -3.910   6.165
  295   1HD   LYS  40          1HD       LYS  40  -3.586  -5.651   6.369
  296   2HD   LYS  40          2HD       LYS  40  -2.516  -4.274   6.648
  297   1HE   LYS  40          1HE       LYS  40  -2.028  -5.840   8.345
  298   2HE   LYS  40          2HE       LYS  40  -2.983  -4.573   9.116
  299   1HZ   LYS  40          1HZ       LYS  40  -3.651  -7.358   8.607
  300   2HZ   LYS  40          2HZ       LYS  40  -4.909  -6.250   8.385
  301   3HZ   LYS  40          3HZ       LYS  40  -4.122  -6.343   9.887
  302    H    TRP  41           H        TRP  41  -2.133  -0.330   5.830
  303    HA   TRP  41           HA       TRP  41  -0.939  -1.981   3.798
  304   1HB   TRP  41          1HB       TRP  41  -0.199   0.599   5.121
  305   2HB   TRP  41          2HB       TRP  41   0.859  -0.218   3.974
  306    HD1  TRP  41           HD1      TRP  41  -2.472   1.626   4.183
  307    HE1  TRP  41           HE1      TRP  41  -3.041   2.420   1.767
  308    HE3  TRP  41           HE3      TRP  41   1.123  -0.897   1.624
  309    HZ2  TRP  41           HZ2      TRP  41  -2.114   1.929  -0.858
  310    HZ3  TRP  41           HZ3      TRP  41   1.208  -0.727  -0.824
  311    HH2  TRP  41           HH2      TRP  41  -0.402   0.677  -2.030
  312    H    PHE  42           H        PHE  42   1.057  -2.812   3.873
  313    HA   PHE  42           HA       PHE  42   2.556  -2.751   6.363
  314   1HB   PHE  42          1HB       PHE  42   1.387  -5.043   6.053
  315   2HB   PHE  42          2HB       PHE  42   2.458  -5.256   4.670
  316    HD1  PHE  42           HD1      PHE  42   4.779  -5.729   4.949
  317    HD2  PHE  42           HD2      PHE  42   2.320  -4.940   8.334
  318    HE1  PHE  42           HE1      PHE  42   6.550  -6.578   6.431
  319    HE2  PHE  42           HE2      PHE  42   4.092  -5.790   9.824
  320    HZ   PHE  42           HZ       PHE  42   6.220  -6.541   8.894
  321    H    LYS  43           H        LYS  43   4.713  -2.474   5.939
  322    HA   LYS  43           HA       LYS  43   5.270  -1.869   3.122
  323   1HB   LYS  43          1HB       LYS  43   5.233   0.223   4.098
  324   2HB   LYS  43          2HB       LYS  43   5.880  -0.302   5.633
  325   1HG   LYS  43          1HG       LYS  43   8.057  -0.713   4.344
  326   2HG   LYS  43          2HG       LYS  43   7.307   0.199   3.035
  327   1HD   LYS  43          1HD       LYS  43   6.922   2.029   4.768
  328   2HD   LYS  43          2HD       LYS  43   8.072   1.139   5.773
  329   1HE   LYS  43          1HE       LYS  43   8.507   2.392   3.089
  330   2HE   LYS  43          2HE       LYS  43   9.358   2.728   4.599
  331   1HZ   LYS  43          1HZ       LYS  43  10.272   0.447   4.473
  332   2HZ   LYS  43          2HZ       LYS  43  10.748   1.412   3.169
  333   3HZ   LYS  43          3HZ       LYS  43   9.536   0.255   2.958
  334    H    GLY  44           H        GLY  44   7.589  -2.137   2.614
  335   1HA   GLY  44          1HA       GLY  44   8.869  -4.163   2.291
  336   2HA   GLY  44          2HA       GLY  44   9.816  -3.019   3.173
  337    H    LYS  45           H        LYS  45  11.064  -4.900   3.716
  338    HA   LYS  45           HA       LYS  45  10.215  -7.339   4.482
  339   1HB   LYS  45          1HB       LYS  45  12.630  -5.774   4.742
  340   2HB   LYS  45          2HB       LYS  45  12.479  -6.942   6.044
  341   1HG   LYS  45          1HG       LYS  45  12.282  -8.749   4.443
  342   2HG   LYS  45          2HG       LYS  45  12.291  -7.586   3.106
  343   1HD   LYS  45          1HD       LYS  45  14.491  -8.743   3.546
  344   2HD   LYS  45          2HD       LYS  45  14.547  -6.982   3.528
  345   1HE   LYS  45          1HE       LYS  45  15.880  -7.800   5.361
  346   2HE   LYS  45          2HE       LYS  45  14.453  -6.986   5.999
  347   1HZ   LYS  45          1HZ       LYS  45  14.867  -9.925   5.774
  348   2HZ   LYS  45          2HZ       LYS  45  13.427  -9.189   6.283
  349   3HZ   LYS  45          3HZ       LYS  45  14.835  -9.003   7.201
  350    H    TRP  46           H        TRP  46   9.550  -4.639   6.525
  351    HA   TRP  46           HA       TRP  46   8.670  -6.355   8.647
  352   1HB   TRP  46          1HB       TRP  46  10.176  -5.164  10.278
  353   2HB   TRP  46          2HB       TRP  46  10.893  -6.433   9.304
  354    HD1  TRP  46           HD1      TRP  46  12.567  -5.610   7.319
  355    HE1  TRP  46           HE1      TRP  46  13.906  -3.445   7.019
  356    HE3  TRP  46           HE3      TRP  46  10.198  -2.737  10.805
  357    HZ2  TRP  46           HZ2      TRP  46  13.944  -0.828   8.133
  358    HZ3  TRP  46           HZ3      TRP  46  10.933  -0.419  11.131
  359    HH2  TRP  46           HH2      TRP  46  12.754   0.514   9.826
  360    H    VAL  47           H        VAL  47   8.292  -3.509   7.108
  361    HA   VAL  47           HA       VAL  47   8.130  -1.798   9.346
  362    HB   VAL  47           HB       VAL  47   7.553  -0.463   6.908
  363   1HG1  VAL  47          1HG1      VAL  47   9.424   0.893   7.592
  364   2HG1  VAL  47          2HG1      VAL  47   9.967  -0.382   8.684
  365   3HG1  VAL  47          3HG1      VAL  47   8.454   0.466   9.004
  366   1HG2  VAL  47          1HG2      VAL  47   8.749  -2.153   5.693
  367   2HG2  VAL  47          2HG2      VAL  47  10.052  -2.154   6.883
  368   3HG2  VAL  47          3HG2      VAL  47   9.806  -0.751   5.846
  369    H    ASP  48           H        ASP  48   6.492  -1.001  10.040
  370    HA   ASP  48           HA       ASP  48   3.868  -1.471   8.917
  371   1HB   ASP  48          1HB       ASP  48   3.284  -0.553  11.256
  372   2HB   ASP  48          2HB       ASP  48   3.777  -2.212  11.055
  373    H    LEU  49           H        LEU  49   3.365   0.150   7.589
  374    HA   LEU  49           HA       LEU  49   4.582   2.611   7.512
  375   1HB   LEU  49          1HB       LEU  49   1.850   1.899   6.482
  376   2HB   LEU  49          2HB       LEU  49   2.720   3.371   6.094
  377    HG   LEU  49           HG       LEU  49   4.533   1.531   5.300
  378   1HD1  LEU  49          1HD1      LEU  49   2.922  -0.307   5.797
  379   2HD1  LEU  49          2HD1      LEU  49   3.470  -0.216   4.124
  380   3HD1  LEU  49          3HD1      LEU  49   1.861   0.374   4.554
  381   1HD2  LEU  49          1HD2      LEU  49   3.619   3.431   4.025
  382   2HD2  LEU  49          2HD2      LEU  49   2.196   2.440   3.657
  383   3HD2  LEU  49          3HD2      LEU  49   3.787   1.955   3.071
  384    H    SER  50           H        SER  50   1.755   1.825   9.441
  385    HA   SER  50           HA       SER  50   0.543   4.331   9.346
  386   1HB   SER  50          1HB       SER  50  -0.616   2.253  10.087
  387   2HB   SER  50          2HB       SER  50   0.363   2.263  11.552
  388    HG   SER  50           HG       SER  50  -1.886   3.679  10.965
  389    H    SER  51           H        SER  51   3.269   3.093  10.994
  390    HA   SER  51           HA       SER  51   3.197   5.308  12.779
  391   1HB   SER  51          1HB       SER  51   4.691   2.741  12.834
  392   2HB   SER  51          2HB       SER  51   5.181   4.088  13.843
  393    HG   SER  51           HG       SER  51   2.483   3.362  13.864
  394    H    LYS  52           H        LYS  52   4.881   4.141  10.067
  395    HA   LYS  52           HA       LYS  52   7.256   5.701  10.542
  396   1HB   LYS  52          1HB       LYS  52   6.958   4.307   7.985
  397   2HB   LYS  52          2HB       LYS  52   8.294   4.297   9.115
  398   1HG   LYS  52          1HG       LYS  52   5.811   2.625   9.195
  399   2HG   LYS  52          2HG       LYS  52   7.453   2.091   8.879
  400   1HD   LYS  52          1HD       LYS  52   6.735   3.361  11.502
  401   2HD   LYS  52          2HD       LYS  52   6.406   1.651  11.210
  402   1HE   LYS  52          1HE       LYS  52   8.805   1.333  10.691
  403   2HE   LYS  52          2HE       LYS  52   9.090   3.026  11.101
  404   1HZ   LYS  52          1HZ       LYS  52   8.446   2.630  13.343
  405   2HZ   LYS  52          2HZ       LYS  52   9.551   1.409  12.933
  406   3HZ   LYS  52          3HZ       LYS  52   7.894   1.068  12.988
  407    H    VAL  53           H        VAL  53   4.683   5.471   8.296
  408    HA   VAL  53           HA       VAL  53   4.995   7.015   6.243
  409    HB   VAL  53           HB       VAL  53   2.613   6.849   8.076
  410   1HG1  VAL  53          1HG1      VAL  53   2.813   8.243   5.422
  411   2HG1  VAL  53          2HG1      VAL  53   2.127   8.856   6.931
  412   3HG1  VAL  53          3HG1      VAL  53   1.297   7.570   6.032
  413   1HG2  VAL  53          1HG2      VAL  53   3.221   5.638   5.400
  414   2HG2  VAL  53          2HG2      VAL  53   1.782   5.350   6.378
  415   3HG2  VAL  53          3HG2      VAL  53   3.367   4.824   6.956
  416    H    GLY  54           H        GLY  54   6.321   8.484   6.316
  417   1HA   GLY  54          1HA       GLY  54   5.448  11.104   7.268
  418   2HA   GLY  54          2HA       GLY  54   6.935  10.519   7.994
  419    H    GLN  55           H        GLN  55   8.836  10.624   6.826
  420    HA   GLN  55           HA       GLN  55   8.611  12.566   4.659
  421   1HB   GLN  55          1HB       GLN  55  10.961  11.822   6.402
  422   2HB   GLN  55          2HB       GLN  55  10.989  13.055   5.146
  423   1HG   GLN  55          1HG       GLN  55   9.211  14.272   6.343
  424   2HG   GLN  55          2HG       GLN  55   9.277  13.063   7.622
  425   1HE2  GLN  55          1HE2      GLN  55  10.911  15.686   6.068
  426   2HE2  GLN  55          2HE2      GLN  55  12.065  15.988   7.329
  427    H    HIS  56           H        HIS  56   9.992   9.358   5.236
  428    HA   HIS  56           HA       HIS  56  11.025   9.392   2.489
  429   1HB   HIS  56          1HB       HIS  56  12.150   7.293   3.016
  430   2HB   HIS  56          2HB       HIS  56  12.580   8.548   4.160
  431    HD1  HIS  56           HD1      HIS  56  10.298   5.545   3.927
  432    HD2  HIS  56           HD2      HIS  56  12.333   7.793   6.753
  433    HE1  HIS  56           HE1      HIS  56   9.933   4.351   6.100
  434    HE2  HIS  56           HE2      HIS  56  11.422   5.582   7.738
  435    H    LEU  57           H        LEU  57   8.760   7.775   4.498
  436    HA   LEU  57           HA       LEU  57   7.448   6.627   2.139
  437   1HB   LEU  57          1HB       LEU  57   8.182   4.829   3.513
  438   2HB   LEU  57          2HB       LEU  57   7.805   5.648   4.989
  439    HG   LEU  57           HG       LEU  57   6.400   3.564   3.725
  440   1HD1  LEU  57          1HD1      LEU  57   4.912   3.851   5.680
  441   2HD1  LEU  57          2HD1      LEU  57   5.805   5.323   6.071
  442   3HD1  LEU  57          3HD1      LEU  57   6.636   3.768   6.040
  443   1HD2  LEU  57          1HD2      LEU  57   4.141   4.407   3.476
  444   2HD2  LEU  57          2HD2      LEU  57   5.210   5.189   2.314
  445   3HD2  LEU  57          3HD2      LEU  57   4.693   6.058   3.756
  446    H    GLN  58           H        GLN  58   6.064   8.297   1.739
  447    HA   GLN  58           HA       GLN  58   4.213   9.036   3.822
  448   1HB   GLN  58          1HB       GLN  58   4.207   9.885   0.914
  449   2HB   GLN  58          2HB       GLN  58   3.331  10.623   2.244
  450   1HG   GLN  58          1HG       GLN  58   5.009  12.092   1.969
  451   2HG   GLN  58          2HG       GLN  58   5.722  11.061   3.186
  452   1HE2  GLN  58          1HE2      GLN  58   7.515   9.877   2.663
  453   2HE2  GLN  58          2HE2      GLN  58   8.361  10.037   1.167
  454    H    LEU  59           H        LEU  59   2.729   7.631   4.057
  455    HA   LEU  59           HA       LEU  59   1.581   6.198   1.791
  456   1HB   LEU  59          1HB       LEU  59   2.336   4.922   3.887
  457   2HB   LEU  59          2HB       LEU  59   1.078   5.755   4.757
  458    HG   LEU  59           HG       LEU  59   0.830   3.535   2.744
  459   1HD1  LEU  59          1HD1      LEU  59   1.056   2.790   4.914
  460   2HD1  LEU  59          2HD1      LEU  59  -0.707   2.844   4.700
  461   3HD1  LEU  59          3HD1      LEU  59   0.125   4.144   5.580
  462   1HD2  LEU  59          1HD2      LEU  59  -0.765   5.214   1.984
  463   2HD2  LEU  59          2HD2      LEU  59  -1.400   5.372   3.623
  464   3HD2  LEU  59          3HD2      LEU  59  -1.595   3.853   2.747
  465    H    HIS  60           H        HIS  60   0.403   7.798   0.957
  466    HA   HIS  60           HA       HIS  60  -1.378   9.319   2.569
  467   1HB   HIS  60          1HB       HIS  60  -0.483   9.518  -0.269
  468   2HB   HIS  60          2HB       HIS  60  -1.923  10.335   0.266
  469    HD1  HIS  60           HD1      HIS  60  -1.655  12.394   1.757
  470    HD2  HIS  60           HD2      HIS  60   1.939  10.637   0.618
  471    HE1  HIS  60           HE1      HIS  60   0.132  14.074   2.319
  472    HE2  HIS  60           HE2      HIS  60   2.272  13.077   1.430
  473    H    ASP  61           H        ASP  61  -3.358   9.580   1.877
  474    HA   ASP  61           HA       ASP  61  -4.644   7.435   0.467
  475   1HB   ASP  61          1HB       ASP  61  -6.608   7.813   2.020
  476   2HB   ASP  61          2HB       ASP  61  -5.312   6.794   2.575
  477    H    SER  62           H        SER  62  -5.319   8.254  -1.137
  478    HA   SER  62           HA       SER  62  -6.380  10.949  -1.273
  479   1HB   SER  62          1HB       SER  62  -6.242   9.069  -3.599
  480   2HB   SER  62          2HB       SER  62  -6.184  10.819  -3.598
  481    HG   SER  62           HG       SER  62  -4.148   8.993  -2.975
  482    H    TYR  63           H        TYR  63  -8.501  11.325  -1.975
  483    HA   TYR  63           HA       TYR  63 -10.272   9.074  -1.726
  484   1HB   TYR  63          1HB       TYR  63 -10.246   9.518   0.478
  485   2HB   TYR  63          2HB       TYR  63  -9.934  11.234   0.281
  486    HD1  TYR  63           HD1      TYR  63 -11.684  12.739   0.658
  487    HD2  TYR  63           HD2      TYR  63 -12.608   8.683  -0.219
  488    HE1  TYR  63           HE1      TYR  63 -14.063  13.196   1.069
  489    HE2  TYR  63           HE2      TYR  63 -14.989   9.125   0.196
  490    HH   TYR  63           HH       TYR  63 -16.370  10.714   1.435
  491    H    ASP  64           H        ASP  64 -11.063   9.262  -3.645
  492    HA   ASP  64           HA       ASP  64 -12.731  11.652  -4.047
  493   1HB   ASP  64          1HB       ASP  64 -11.014  11.218  -5.863
  494   2HB   ASP  64          2HB       ASP  64 -11.988   9.823  -6.288
  495    H    ARG  65           H        ARG  65 -14.683  11.348  -3.915
  496    HA   ARG  65           HA       ARG  65 -15.683   8.739  -3.230
  497   1HB   ARG  65          1HB       ARG  65 -16.154  11.336  -2.356
  498   2HB   ARG  65          2HB       ARG  65 -17.648  10.848  -3.158
  499   1HG   ARG  65          1HG       ARG  65 -16.223   9.244  -1.074
  500   2HG   ARG  65          2HG       ARG  65 -17.600  10.305  -0.759
  501   1HD   ARG  65          1HD       ARG  65 -17.864   8.299  -2.924
  502   2HD   ARG  65          2HD       ARG  65 -17.899   7.698  -1.258
  503    HE   ARG  65           HE       ARG  65 -19.811   9.156  -0.871
  504   1HH1  ARG  65          1HH1      ARG  65 -18.919   8.648  -4.229
  505   2HH1  ARG  65          2HH1      ARG  65 -20.507   9.030  -4.831
  506   1HH2  ARG  65          1HH2      ARG  65 -21.878   9.659  -1.664
  507   2HH2  ARG  65          2HH2      ARG  65 -22.180   9.607  -3.378
  508    H    ALA  66           H        ALA  66 -16.294  11.196  -5.613
  509    HA   ALA  66           HA       ALA  66 -18.458   9.834  -6.857
  510   1HB   ALA  66          1HB       ALA  66 -16.775  12.068  -7.967
  511   2HB   ALA  66          2HB       ALA  66 -18.211  12.274  -6.962
  512   3HB   ALA  66          3HB       ALA  66 -18.350  11.544  -8.561
  513    H    SER  67           H        SER  67 -15.066   9.605  -7.056
  514    HA   SER  67           HA       SER  67 -15.178   8.068  -9.540
  515   1HB   SER  67          1HB       SER  67 -12.770   8.683  -7.811
  516   2HB   SER  67          2HB       SER  67 -12.761   8.089  -9.474
  517    HG   SER  67           HG       SER  67 -13.597  10.631  -8.521
  518    H    LYS  68           H        LYS  68 -15.233   7.880  -6.184
  519    HA   LYS  68           HA       LYS  68 -15.734   6.172  -4.779
  520   1HB   LYS  68          1HB       LYS  68 -17.110   5.476  -6.810
  521   2HB   LYS  68          2HB       LYS  68 -15.777   4.404  -7.205
  522   1HG   LYS  68          1HG       LYS  68 -17.083   2.944  -6.089
  523   2HG   LYS  68          2HG       LYS  68 -16.182   3.597  -4.724
  524   1HD   LYS  68          1HD       LYS  68 -18.792   4.791  -5.593
  525   2HD   LYS  68          2HD       LYS  68 -18.733   3.400  -4.511
  526   1HE   LYS  68          1HE       LYS  68 -17.297   4.723  -2.975
  527   2HE   LYS  68          2HE       LYS  68 -17.529   6.125  -4.028
  528   1HZ   LYS  68          1HZ       LYS  68 -19.109   6.264  -2.269
  529   2HZ   LYS  68          2HZ       LYS  68 -19.605   4.663  -2.489
  530   3HZ   LYS  68          3HZ       LYS  68 -19.968   5.832  -3.666
  531    H    VAL  69           H        VAL  69 -13.019   6.875  -5.520
  532    HA   VAL  69           HA       VAL  69 -11.722   4.329  -4.888
  533    HB   VAL  69           HB       VAL  69 -10.332   6.402  -6.539
  534   1HG1  VAL  69          1HG1      VAL  69  -8.883   4.519  -7.143
  535   2HG1  VAL  69          2HG1      VAL  69  -9.844   3.467  -6.105
  536   3HG1  VAL  69          3HG1      VAL  69  -8.933   4.803  -5.404
  537   1HG2  VAL  69          1HG2      VAL  69 -10.778   5.009  -8.544
  538   2HG2  VAL  69          2HG2      VAL  69 -12.232   5.765  -7.891
  539   3HG2  VAL  69          3HG2      VAL  69 -11.917   4.058  -7.588
  540    H    TYR  70           H        TYR  70 -10.696   4.457  -3.115
  541    HA   TYR  70           HA       TYR  70  -9.395   6.924  -2.281
  542   1HB   TYR  70          1HB       TYR  70  -9.503   4.259  -0.891
  543   2HB   TYR  70          2HB       TYR  70  -8.709   5.681  -0.270
  544    HD1  TYR  70           HD1      TYR  70  -9.847   7.157   1.120
  545    HD2  TYR  70           HD2      TYR  70 -12.054   4.382  -1.214
  546    HE1  TYR  70           HE1      TYR  70 -11.892   7.777   2.336
  547    HE2  TYR  70           HE2      TYR  70 -14.110   5.005  -0.021
  548    HH   TYR  70           HH       TYR  70 -14.739   5.967   2.174
  549    H    LEU  71           H        LEU  71  -7.565   7.152  -3.179
  550    HA   LEU  71           HA       LEU  71  -6.007   4.808  -3.923
  551   1HB   LEU  71          1HB       LEU  71  -6.135   6.236  -5.831
  552   2HB   LEU  71          2HB       LEU  71  -5.727   7.655  -4.875
  553    HG   LEU  71           HG       LEU  71  -3.483   6.723  -4.452
  554   1HD1  LEU  71          1HD1      LEU  71  -2.704   4.804  -5.753
  555   2HD1  LEU  71          2HD1      LEU  71  -4.350   4.539  -6.331
  556   3HD1  LEU  71          3HD1      LEU  71  -3.980   4.371  -4.613
  557   1HD2  LEU  71          1HD2      LEU  71  -4.098   6.824  -7.390
  558   2HD2  LEU  71          2HD2      LEU  71  -2.539   7.106  -6.608
  559   3HD2  LEU  71          3HD2      LEU  71  -3.874   8.233  -6.356
  560    H    PHE  72           H        PHE  72  -4.950   4.233  -2.283
  561    HA   PHE  72           HA       PHE  72  -3.578   6.094  -0.598
  562   1HB   PHE  72          1HB       PHE  72  -3.634   3.114  -0.754
  563   2HB   PHE  72          2HB       PHE  72  -2.645   3.967   0.411
  564    HD1  PHE  72           HD1      PHE  72  -6.138   3.387  -0.681
  565    HD2  PHE  72           HD2      PHE  72  -3.557   4.685   2.448
  566    HE1  PHE  72           HE1      PHE  72  -8.054   3.478   0.857
  567    HE2  PHE  72           HE2      PHE  72  -5.471   4.770   3.993
  568    HZ   PHE  72           HZ       PHE  72  -7.696   4.051   3.231
  569    H    GLU  73           H        GLU  73  -1.814   6.876  -1.166
  570    HA   GLU  73           HA       GLU  73  -0.178   5.657  -3.266
  571   1HB   GLU  73          1HB       GLU  73  -0.134   8.486  -2.279
  572   2HB   GLU  73          2HB       GLU  73   0.864   7.842  -3.547
  573   1HG   GLU  73          1HG       GLU  73  -1.226   7.395  -4.848
  574   2HG   GLU  73          2HG       GLU  73  -2.088   8.326  -3.619
  575    H    LEU  74           H        LEU  74   1.543   4.771  -2.616
  576    HA   LEU  74           HA       LEU  74   2.841   5.627  -0.161
  577   1HB   LEU  74          1HB       LEU  74   3.693   3.499  -2.093
  578   2HB   LEU  74          2HB       LEU  74   4.436   3.831  -0.551
  579    HG   LEU  74           HG       LEU  74   2.309   2.060  -1.186
  580   1HD1  LEU  74          1HD1      LEU  74   4.217   1.532   0.159
  581   2HD1  LEU  74          2HD1      LEU  74   2.733   1.285   1.083
  582   3HD1  LEU  74          3HD1      LEU  74   3.718   2.726   1.356
  583   1HD2  LEU  74          1HD2      LEU  74   0.765   3.871  -0.616
  584   2HD2  LEU  74          2HD2      LEU  74   1.605   4.081   0.927
  585   3HD2  LEU  74          3HD2      LEU  74   0.730   2.586   0.599
  586    H    HIS  75           H        HIS  75   4.158   7.116  -0.331
  587    HA   HIS  75           HA       HIS  75   5.823   7.264  -2.751
  588   1HB   HIS  75          1HB       HIS  75   5.159   9.485  -0.783
  589   2HB   HIS  75          2HB       HIS  75   6.354   9.617  -2.062
  590    HD1  HIS  75           HD1      HIS  75   4.438  11.721  -2.377
  591    HD2  HIS  75           HD2      HIS  75   3.517   7.890  -3.738
  592    HE1  HIS  75           HE1      HIS  75   2.605  12.017  -4.077
  593    HE2  HIS  75           HE2      HIS  75   1.945   9.687  -4.764
  594    H    ILE  76           H        ILE  76   7.282   5.828  -2.133
  595    HA   ILE  76           HA       ILE  76   8.509   6.285   0.485
  596    HB   ILE  76           HB       ILE  76   8.136   3.636  -0.856
  597   1HG1  ILE  76          1HG1      ILE  76   6.659   4.918   1.456
  598   2HG1  ILE  76          2HG1      ILE  76   5.956   4.285  -0.064
  599   1HG2  ILE  76          1HG2      ILE  76   9.013   2.686   1.217
  600   2HG2  ILE  76          2HG2      ILE  76   9.192   4.306   1.885
  601   3HG2  ILE  76          3HG2      ILE  76  10.177   3.807   0.510
  602   1HD1  ILE  76          1HD1      ILE  76   6.562   2.022   0.603
  603   2HD1  ILE  76          2HD1      ILE  76   5.514   2.798   1.791
  604   3HD1  ILE  76          3HD1      ILE  76   7.240   2.643   2.108
  605    H    THR  77           H        THR  77  10.204   7.234  -0.062
  606    HA   THR  77           HA       THR  77  11.761   6.417  -2.315
  607    HB   THR  77           HB       THR  77  12.671   8.702  -2.247
  608    HG1  THR  77           HG1      THR  77  12.393   9.887  -0.514
  609   1HG2  THR  77          1HG2      THR  77  10.687   9.894  -2.976
  610   2HG2  THR  77          2HG2      THR  77   9.656   8.714  -2.164
  611   3HG2  THR  77          3HG2      THR  77  10.626   8.227  -3.555
  612    H    ASP  78           H        ASP  78  13.943   6.800  -1.985
  613    HA   ASP  78           HA       ASP  78  16.018   6.763  -0.923
  614   1HB   ASP  78          1HB       ASP  78  14.835   8.564   0.312
  615   2HB   ASP  78          2HB       ASP  78  14.372   7.370   1.495
  616    H    ALA  79           H        ALA  79  14.402   4.533  -1.205
  617    HA   ALA  79           HA       ALA  79  14.035   2.799   0.873
  618   1HB   ALA  79          1HB       ALA  79  14.199   0.960  -0.744
  619   2HB   ALA  79          2HB       ALA  79  14.877   2.077  -1.930
  620   3HB   ALA  79          3HB       ALA  79  13.225   2.299  -1.354
  621    H    GLN  80           H        GLN  80  15.419   2.339   2.384
  622    HA   GLN  80           HA       GLN  80  18.212   2.028   2.045
  623   1HB   GLN  80          1HB       GLN  80  17.967   2.351   4.254
  624   2HB   GLN  80          2HB       GLN  80  16.252   1.978   4.166
  625   1HG   GLN  80          1HG       GLN  80  16.559  -0.224   4.716
  626   2HG   GLN  80          2HG       GLN  80  18.224  -0.254   4.148
  627   1HE2  GLN  80          1HE2      GLN  80  19.862   0.528   5.477
  628   2HE2  GLN  80          2HE2      GLN  80  19.623   0.769   7.173
  629    HA   PRO  81           HA       PRO  81  18.423  -2.010   0.350
  630   1HB   PRO  81          1HB       PRO  81  20.552  -3.168   1.610
  631   2HB   PRO  81          2HB       PRO  81  20.712  -1.913   0.378
  632   1HG   PRO  81          1HG       PRO  81  20.811  -1.658   3.363
  633   2HG   PRO  81          2HG       PRO  81  21.846  -0.895   2.140
  634   1HD   PRO  81          1HD       PRO  81  19.818   0.434   3.332
  635   2HD   PRO  81          2HD       PRO  81  20.279   0.728   1.644
  636    H    ALA  82           H        ALA  82  17.648  -1.652   3.587
  637    HA   ALA  82           HA       ALA  82  16.977  -4.501   3.862
  638   1HB   ALA  82          1HB       ALA  82  17.192  -2.392   6.015
  639   2HB   ALA  82          2HB       ALA  82  18.382  -3.648   5.671
  640   3HB   ALA  82          3HB       ALA  82  16.782  -4.089   6.266
  641    H    PHE  83           H        PHE  83  15.582  -2.126   2.437
  642    HA   PHE  83           HA       PHE  83  13.010  -2.190   3.864
  643   1HB   PHE  83          1HB       PHE  83  14.359  -0.381   1.937
  644   2HB   PHE  83          2HB       PHE  83  12.630  -0.569   1.754
  645    HD1  PHE  83           HD1      PHE  83  13.415  -1.035   5.112
  646    HD2  PHE  83           HD2      PHE  83  12.994   2.048   2.200
  647    HE1  PHE  83           HE1      PHE  83  13.099   0.612   6.906
  648    HE2  PHE  83           HE2      PHE  83  12.670   3.697   3.990
  649    HZ   PHE  83           HZ       PHE  83  12.636   3.043   6.270
  650    H    THR  84           H        THR  84  14.653  -3.919   1.680
  651    HA   THR  84           HA       THR  84  13.477  -4.563  -0.515
  652    HB   THR  84           HB       THR  84  13.952  -6.681   1.541
  653    HG1  THR  84           HG1      THR  84  16.056  -6.268  -0.070
  654   1HG2  THR  84          1HG2      THR  84  14.649  -7.974  -0.499
  655   2HG2  THR  84          2HG2      THR  84  14.053  -6.628  -1.483
  656   3HG2  THR  84          3HG2      THR  84  12.937  -7.548  -0.467
  657    H    GLY  85           H        GLY  85  11.668  -4.054  -0.768
  658   1HA   GLY  85          1HA       GLY  85   9.425  -3.816   0.476
  659   2HA   GLY  85          2HA       GLY  85   9.462  -4.301  -1.182
  660    H    GLY  86           H        GLY  86   8.853  -5.195   1.951
  661   1HA   GLY  86          1HA       GLY  86   7.354  -7.352   0.706
  662   2HA   GLY  86          2HA       GLY  86   7.870  -7.420   2.390
  663    H    TYR  87           H        TYR  87   6.249  -5.299   0.188
  664    HA   TYR  87           HA       TYR  87   4.632  -4.111   2.229
  665   1HB   TYR  87          1HB       TYR  87   4.543  -3.870  -0.785
  666   2HB   TYR  87          2HB       TYR  87   3.645  -2.869   0.349
  667    HD1  TYR  87           HD1      TYR  87   7.018  -3.721  -0.855
  668    HD2  TYR  87           HD2      TYR  87   4.682  -1.001   1.432
  669    HE1  TYR  87           HE1      TYR  87   8.911  -2.163  -0.780
  670    HE2  TYR  87           HE2      TYR  87   6.583   0.567   1.520
  671    HH   TYR  87           HH       TYR  87   9.069   0.468   1.306
  672    H    ARG  88           H        ARG  88   2.617  -4.739   2.794
  673    HA   ARG  88           HA       ARG  88   1.234  -6.718   1.116
  674   1HB   ARG  88          1HB       ARG  88   2.649  -7.465   3.315
  675   2HB   ARG  88          2HB       ARG  88   1.104  -7.086   4.056
  676   1HG   ARG  88          1HG       ARG  88  -0.014  -8.714   2.710
  677   2HG   ARG  88          2HG       ARG  88   1.458  -9.009   1.773
  678   1HD   ARG  88          1HD       ARG  88   0.943  -9.645   4.673
  679   2HD   ARG  88          2HD       ARG  88   1.312 -10.767   3.362
  680    HE   ARG  88           HE       ARG  88   3.436  -8.963   3.588
  681   1HH1  ARG  88          1HH1      ARG  88   1.986 -11.589   5.369
  682   2HH1  ARG  88          2HH1      ARG  88   3.446 -11.989   6.230
  683   1HH2  ARG  88          1HH2      ARG  88   5.377  -9.501   4.683
  684   2HH2  ARG  88          2HH2      ARG  88   5.386 -10.825   5.805
  685    H    CYS  89           H        CYS  89  -0.530  -5.559   0.572
  686    HA   CYS  89           HA       CYS  89  -1.666  -3.791   2.610
  687   1HB   CYS  89          1HB       CYS  89  -0.965  -2.993   0.255
  688   2HB   CYS  89          2HB       CYS  89  -2.440  -3.784  -0.281
  689    HG   CYS  89           HG       CYS  89  -2.037  -0.950   1.470
  690    H    GLU  90           H        GLU  90  -3.577  -4.129   3.434
  691    HA   GLU  90           HA       GLU  90  -5.267  -6.257   2.308
  692   1HB   GLU  90          1HB       GLU  90  -4.015  -7.269   4.097
  693   2HB   GLU  90          2HB       GLU  90  -4.343  -5.917   5.167
  694   1HG   GLU  90          1HG       GLU  90  -6.801  -6.578   4.962
  695   2HG   GLU  90          2HG       GLU  90  -6.204  -8.079   4.253
  696    H    VAL  91           H        VAL  91  -7.193  -5.359   1.863
  697    HA   VAL  91           HA       VAL  91  -8.138  -3.238   3.656
  698    HB   VAL  91           HB       VAL  91  -8.064  -2.401   1.433
  699   1HG1  VAL  91          1HG1      VAL  91  -9.667  -4.819   0.618
  700   2HG1  VAL  91          2HG1      VAL  91  -8.001  -4.456   0.171
  701   3HG1  VAL  91          3HG1      VAL  91  -9.315  -3.447  -0.429
  702   1HG2  VAL  91          1HG2      VAL  91 -10.904  -3.069   2.213
  703   2HG2  VAL  91          2HG2      VAL  91 -10.452  -1.861   1.011
  704   3HG2  VAL  91          3HG2      VAL  91  -9.974  -1.648   2.694
  705    H    SER  92           H        SER  92 -10.094  -3.344   4.576
  706    HA   SER  92           HA       SER  92 -11.569  -5.868   4.331
  707   1HB   SER  92          1HB       SER  92  -9.891  -6.008   6.219
  708   2HB   SER  92          2HB       SER  92 -10.747  -4.681   6.997
  709    HG   SER  92           HG       SER  92 -12.176  -6.960   6.190
  710    H    THR  93           H        THR  93 -13.487  -5.203   3.716
  711    HA   THR  93           HA       THR  93 -14.711  -2.949   5.151
  712    HB   THR  93           HB       THR  93 -15.335  -3.360   2.289
  713    HG1  THR  93           HG1      THR  93 -12.881  -3.147   2.925
  714   1HG2  THR  93          1HG2      THR  93 -16.583  -1.710   3.505
  715   2HG2  THR  93          2HG2      THR  93 -15.494  -0.898   2.377
  716   3HG2  THR  93          3HG2      THR  93 -15.092  -0.967   4.092
  717    H    LYS  94           H        LYS  94 -17.028  -3.018   5.129
  718    HA   LYS  94           HA       LYS  94 -18.737  -4.379   6.003
  719   1HB   LYS  94          1HB       LYS  94 -20.092  -4.991   3.795
  720   2HB   LYS  94          2HB       LYS  94 -19.963  -3.362   4.414
  721   1HG   LYS  94          1HG       LYS  94 -19.660  -3.258   2.069
  722   2HG   LYS  94          2HG       LYS  94 -18.079  -2.993   2.793
  723   1HD   LYS  94          1HD       LYS  94 -17.656  -4.422   1.021
  724   2HD   LYS  94          2HD       LYS  94 -17.715  -5.492   2.416
  725   1HE   LYS  94          1HE       LYS  94 -19.782  -5.106   0.265
  726   2HE   LYS  94          2HE       LYS  94 -18.895  -6.566   0.670
  727   1HZ   LYS  94          1HZ       LYS  94 -20.137  -6.404   2.892
  728   2HZ   LYS  94          2HZ       LYS  94 -20.979  -6.940   1.524
  729   3HZ   LYS  94          3HZ       LYS  94 -21.185  -5.342   2.075
  730    H    ASP  95           H        ASP  95 -17.806  -6.148   3.130
  731    HA   ASP  95           HA       ASP  95 -17.707  -8.645   4.506
  732   1HB   ASP  95          1HB       ASP  95 -20.121  -7.905   3.668
  733   2HB   ASP  95          2HB       ASP  95 -19.516  -8.549   2.158
  734    H    LYS  96           H        LYS  96 -16.447  -6.574   2.308
  735    HA   LYS  96           HA       LYS  96 -15.658  -8.712   0.532
  736   1HB   LYS  96          1HB       LYS  96 -15.785  -5.777  -0.054
  737   2HB   LYS  96          2HB       LYS  96 -14.616  -6.784  -0.809
  738   1HG   LYS  96          1HG       LYS  96 -16.586  -8.264  -1.459
  739   2HG   LYS  96          2HG       LYS  96 -17.558  -6.835  -1.063
  740   1HD   LYS  96          1HD       LYS  96 -17.001  -6.759  -3.386
  741   2HD   LYS  96          2HD       LYS  96 -16.100  -5.501  -2.538
  742   1HE   LYS  96          1HE       LYS  96 -14.447  -6.391  -3.835
  743   2HE   LYS  96          2HE       LYS  96 -14.280  -7.393  -2.387
  744   1HZ   LYS  96          1HZ       LYS  96 -15.998  -8.123  -4.650
  745   2HZ   LYS  96          2HZ       LYS  96 -15.459  -9.136  -3.390
  746   3HZ   LYS  96          3HZ       LYS  96 -14.365  -8.592  -4.577
  747    H    PHE  97           H        PHE  97 -13.643  -8.903   0.007
  748    HA   PHE  97           HA       PHE  97 -11.670  -7.844   1.865
  749   1HB   PHE  97          1HB       PHE  97 -12.805 -10.069   2.554
  750   2HB   PHE  97          2HB       PHE  97 -11.748 -10.789   1.347
  751    HD1  PHE  97           HD1      PHE  97 -11.925  -9.147   4.598
  752    HD2  PHE  97           HD2      PHE  97  -9.346 -10.847   1.671
  753    HE1  PHE  97           HE1      PHE  97 -10.102  -9.193   6.244
  754    HE2  PHE  97           HE2      PHE  97  -7.510 -10.887   3.310
  755    HZ   PHE  97           HZ       PHE  97  -7.890 -10.056   5.603
  756    H    ASP  98           H        ASP  98  -9.702  -7.671   1.077
  757    HA   ASP  98           HA       ASP  98  -8.799  -9.052  -1.292
  758   1HB   ASP  98          1HB       ASP  98  -9.566  -6.175  -1.389
  759   2HB   ASP  98          2HB       ASP  98  -8.105  -6.651  -2.231
  760    H    CYS  99           H        CYS  99  -6.550  -8.880  -1.578
  761    HA   CYS  99           HA       CYS  99  -5.023  -7.256   0.262
  762   1HB   CYS  99          1HB       CYS  99  -3.771  -9.224   1.162
  763   2HB   CYS  99          2HB       CYS  99  -5.432  -9.098   1.717
  764    HG   CYS  99           HG       CYS  99  -5.204 -10.985  -1.003
  765    H    SER 100           H        SER 100  -2.856  -7.079  -0.258
  766    HA   SER 100           HA       SER 100  -2.086  -8.296  -2.823
  767   1HB   SER 100          1HB       SER 100  -0.839  -6.065  -3.204
  768   2HB   SER 100          2HB       SER 100  -2.566  -6.144  -3.499
  769    HG   SER 100           HG       SER 100  -2.865  -5.266  -1.386
  770    H    ASN 101           H        ASN 101   0.043  -8.605  -3.209
  771    HA   ASN 101           HA       ASN 101   1.901  -8.269  -0.979
  772   1HB   ASN 101          1HB       ASN 101   2.809 -10.514  -1.243
  773   2HB   ASN 101          2HB       ASN 101   1.104 -10.595  -0.849
  774   1HD2  ASN 101          1HD2      ASN 101   0.315  -9.978  -3.662
  775   2HD2  ASN 101          2HD2      ASN 101   0.593 -11.444  -4.521
  776    H    PHE 102           H        PHE 102   3.475  -6.999  -1.712
  777    HA   PHE 102           HA       PHE 102   4.463  -7.405  -4.416
  778   1HB   PHE 102          1HB       PHE 102   4.298  -4.939  -4.861
  779   2HB   PHE 102          2HB       PHE 102   2.783  -5.821  -4.880
  780    HD1  PHE 102           HD1      PHE 102   4.452  -2.987  -3.720
  781    HD2  PHE 102           HD2      PHE 102   1.425  -5.763  -2.631
  782    HE1  PHE 102           HE1      PHE 102   3.494  -1.333  -2.183
  783    HE2  PHE 102           HE2      PHE 102   0.464  -4.106  -1.089
  784    HZ   PHE 102           HZ       PHE 102   1.503  -1.891  -0.862
  785    H    ASN 103           H        ASN 103   6.534  -7.075  -4.591
  786    HA   ASN 103           HA       ASN 103   7.935  -6.516  -2.098
  787   1HB   ASN 103          1HB       ASN 103   8.887  -8.030  -4.525
  788   2HB   ASN 103          2HB       ASN 103   9.613  -7.988  -2.956
  789   1HD2  ASN 103          1HD2      ASN 103   7.057  -9.263  -4.841
  790   2HD2  ASN 103          2HD2      ASN 103   6.626 -10.506  -3.728
  791    H    LEU 104           H        LEU 104   9.637  -5.307  -2.082
  792    HA   LEU 104           HA       LEU 104  10.324  -3.775  -4.514
  793   1HB   LEU 104          1HB       LEU 104   9.841  -1.982  -3.229
  794   2HB   LEU 104          2HB       LEU 104  10.040  -2.847  -1.713
  795    HG   LEU 104           HG       LEU 104  12.541  -2.654  -2.677
  796   1HD1  LEU 104          1HD1      LEU 104  12.868  -0.358  -3.433
  797   2HD1  LEU 104          2HD1      LEU 104  11.115  -0.154  -3.454
  798   3HD1  LEU 104          3HD1      LEU 104  11.883  -1.312  -4.543
  799   1HD2  LEU 104          1HD2      LEU 104  11.624  -2.084  -0.377
  800   2HD2  LEU 104          2HD2      LEU 104  11.384  -0.458  -1.022
  801   3HD2  LEU 104          3HD2      LEU 104  13.007  -1.153  -0.951
  802    H    THR 105           H        THR 105  12.157  -4.376  -5.353
  803    HA   THR 105           HA       THR 105  14.135  -5.651  -3.624
  804    HB   THR 105           HB       THR 105  14.288  -5.338  -6.618
  805    HG1  THR 105           HG1      THR 105  12.432  -6.620  -5.589
  806   1HG2  THR 105          1HG2      THR 105  16.399  -5.827  -5.458
  807   2HG2  THR 105          2HG2      THR 105  15.878  -7.176  -6.468
  808   3HG2  THR 105          3HG2      THR 105  15.656  -7.246  -4.719
  809    H    VAL 106           H        VAL 106  15.146  -4.079  -2.583
  810    HA   VAL 106           HA       VAL 106  15.914  -1.665  -3.915
  811    HB   VAL 106           HB       VAL 106  14.968  -1.458  -1.677
  812   1HG1  VAL 106          1HG1      VAL 106  16.244  -2.177   0.284
  813   2HG1  VAL 106          2HG1      VAL 106  17.223  -3.169  -0.805
  814   3HG1  VAL 106          3HG1      VAL 106  15.488  -3.460  -0.656
  815   1HG2  VAL 106          1HG2      VAL 106  16.715  -0.070  -0.637
  816   2HG2  VAL 106          2HG2      VAL 106  16.434   0.283  -2.344
  817   3HG2  VAL 106          3HG2      VAL 106  17.841  -0.667  -1.858
  818    H    HIS 107           H        HIS 107  17.578  -1.563  -4.883
  819    HA   HIS 107           HA       HIS 107  19.686  -3.529  -4.779
  820   1HB   HIS 107          1HB       HIS 107  19.273  -1.184  -6.655
  821   2HB   HIS 107          2HB       HIS 107  20.559  -2.373  -6.799
  822    HD1  HIS 107           HD1      HIS 107  19.989  -4.596  -7.895
  823    HD2  HIS 107           HD2      HIS 107  16.702  -2.095  -7.412
  824    HE1  HIS 107           HE1      HIS 107  18.136  -5.638  -9.221
  825    HE2  HIS 107           HE2      HIS 107  16.283  -3.951  -9.171
  826    H    GLU 108           H        GLU 108  20.840  -3.077  -3.019
  827    HA   GLU 108           HA       GLU 108  21.826  -0.576  -2.240
  828   1HB   GLU 108          1HB       GLU 108  21.894  -2.542  -0.772
  829   2HB   GLU 108          2HB       GLU 108  23.109  -3.279  -1.813
  830   1HG   GLU 108          1HG       GLU 108  24.648  -1.445  -1.310
  831   2HG   GLU 108          2HG       GLU 108  23.433  -0.717  -0.261
  832    H    ALA 109           H        ALA 109  23.922  -3.114  -3.586
  833    HA   ALA 109           HA       ALA 109  25.251  -1.008  -5.155
  834   1HB   ALA 109          1HB       ALA 109  26.560  -3.366  -3.802
  835   2HB   ALA 109          2HB       ALA 109  26.657  -1.684  -3.282
  836   3HB   ALA 109          3HB       ALA 109  27.374  -2.178  -4.817
  837    H    MET 110           H        MET 110  25.414  -1.377  -7.270
  838    HA   MET 110           HA       MET 110  24.486  -3.948  -8.274
  839   1HB   MET 110          1HB       MET 110  24.954  -1.308  -9.668
  840   2HB   MET 110          2HB       MET 110  24.456  -2.779 -10.495
  841   1HG   MET 110          1HG       MET 110  22.447  -2.844  -9.052
  842   2HG   MET 110          2HG       MET 110  22.931  -1.290  -8.376
  843   1HE   MET 110          1HE       MET 110  24.112   0.210 -10.926
  844   2HE   MET 110          2HE       MET 110  23.011   0.974  -9.779
  845   3HE   MET 110          3HE       MET 110  22.680   1.057 -11.509
  Start of MODEL    5
    1    H    ASP   1           H        ASP   1 -18.480 -11.285   1.786
    2    HA   ASP   1           HA       ASP   1 -18.094  -9.399   0.332
    3   1HB   ASP   1          1HB       ASP   1 -17.800 -12.021  -1.131
    4   2HB   ASP   1          2HB       ASP   1 -16.872 -10.547  -1.390
    5    H    ASP   2           H        ASP   2 -19.227  -8.007  -0.662
    6    HA   ASP   2           HA       ASP   2 -21.294  -8.762  -2.576
    7   1HB   ASP   2          1HB       ASP   2 -20.625  -6.440  -0.847
    8   2HB   ASP   2          2HB       ASP   2 -21.479  -6.114  -2.334
    9    HA   PRO   3           HA       PRO   3 -18.965  -7.342  -6.084
   10   1HB   PRO   3          1HB       PRO   3 -20.734  -5.820  -7.482
   11   2HB   PRO   3          2HB       PRO   3 -20.846  -7.578  -7.386
   12   1HG   PRO   3          1HG       PRO   3 -22.320  -5.498  -5.815
   13   2HG   PRO   3          2HG       PRO   3 -22.948  -6.972  -6.579
   14   1HD   PRO   3          1HD       PRO   3 -22.427  -6.843  -3.942
   15   2HD   PRO   3          2HD       PRO   3 -22.175  -8.331  -4.877
   16    H    ILE   4           H        ILE   4 -18.469  -5.762  -3.824
   17    HA   ILE   4           HA       ILE   4 -18.360  -2.999  -4.342
   18    HB   ILE   4           HB       ILE   4 -16.862  -4.925  -2.626
   19   1HG1  ILE   4          1HG1      ILE   4 -17.621  -3.306  -0.858
   20   2HG1  ILE   4          2HG1      ILE   4 -18.467  -2.422  -2.122
   21   1HG2  ILE   4          1HG2      ILE   4 -16.002  -2.057  -3.049
   22   2HG2  ILE   4          2HG2      ILE   4 -15.046  -3.508  -3.358
   23   3HG2  ILE   4          3HG2      ILE   4 -15.475  -3.070  -1.707
   24   1HD1  ILE   4          1HD1      ILE   4 -19.788  -4.416  -2.608
   25   2HD1  ILE   4          2HD1      ILE   4 -19.979  -3.865  -0.942
   26   3HD1  ILE   4          3HD1      ILE   4 -18.959  -5.260  -1.298
   27    H    GLY   5           H        GLY   5 -15.867  -5.493  -4.711
   28   1HA   GLY   5          1HA       GLY   5 -14.197  -5.665  -6.354
   29   2HA   GLY   5          2HA       GLY   5 -14.772  -4.143  -7.040
   30    H    LEU   6           H        LEU   6 -13.597  -5.336  -3.985
   31    HA   LEU   6           HA       LEU   6 -13.076  -2.805  -2.933
   32   1HB   LEU   6          1HB       LEU   6 -13.537  -5.087  -1.820
   33   2HB   LEU   6          2HB       LEU   6 -11.817  -5.357  -1.993
   34    HG   LEU   6           HG       LEU   6 -11.306  -3.612  -0.521
   35   1HD1  LEU   6          1HD1      LEU   6 -12.815  -2.009   0.348
   36   2HD1  LEU   6          2HD1      LEU   6 -14.187  -2.840  -0.376
   37   3HD1  LEU   6          3HD1      LEU   6 -13.010  -2.023  -1.406
   38   1HD2  LEU   6          1HD2      LEU   6 -12.434  -4.263   1.518
   39   2HD2  LEU   6          2HD2      LEU   6 -12.014  -5.665   0.535
   40   3HD2  LEU   6          3HD2      LEU   6 -13.677  -5.074   0.564
   41    H    PHE   7           H        PHE   7 -11.097  -5.167  -4.548
   42    HA   PHE   7           HA       PHE   7  -8.829  -3.374  -4.436
   43   1HB   PHE   7          1HB       PHE   7  -9.155  -6.203  -4.637
   44   2HB   PHE   7          2HB       PHE   7  -8.255  -5.628  -6.043
   45    HD1  PHE   7           HD1      PHE   7  -8.266  -4.355  -2.543
   46    HD2  PHE   7           HD2      PHE   7  -6.068  -6.238  -5.656
   47    HE1  PHE   7           HE1      PHE   7  -6.228  -4.198  -1.190
   48    HE2  PHE   7           HE2      PHE   7  -4.029  -6.088  -4.318
   49    HZ   PHE   7           HZ       PHE   7  -4.101  -5.068  -2.072
   50    H    VAL   8           H        VAL   8  -9.729  -1.764  -5.646
   51    HA   VAL   8           HA       VAL   8 -10.788  -2.063  -8.245
   52    HB   VAL   8           HB       VAL   8  -9.447   0.399  -7.121
   53   1HG1  VAL   8          1HG1      VAL   8 -11.019   1.604  -8.577
   54   2HG1  VAL   8          2HG1      VAL   8 -11.610   0.059  -9.192
   55   3HG1  VAL   8          3HG1      VAL   8  -9.943   0.545  -9.490
   56   1HG2  VAL   8          1HG2      VAL   8 -11.694   1.035  -6.293
   57   2HG2  VAL   8          2HG2      VAL   8 -11.047  -0.392  -5.485
   58   3HG2  VAL   8          3HG2      VAL   8 -12.280  -0.569  -6.734
   59    H    MET   9           H        MET   9  -7.636  -0.950  -7.100
   60    HA   MET   9           HA       MET   9  -6.347  -2.317  -9.306
   61   1HB   MET   9          1HB       MET   9  -6.680  -0.007 -10.137
   62   2HB   MET   9          2HB       MET   9  -5.766   0.580  -8.754
   63   1HG   MET   9          1HG       MET   9  -4.336   0.503 -10.697
   64   2HG   MET   9          2HG       MET   9  -3.816  -0.692  -9.512
   65   1HE   MET   9          1HE       MET   9  -2.949  -2.430 -12.912
   66   2HE   MET   9          2HE       MET   9  -2.333  -1.928 -11.337
   67   3HE   MET   9          3HE       MET   9  -2.824  -0.716 -12.519
   68    H    ARG  10           H        ARG  10  -4.497  -3.216  -8.651
   69    HA   ARG  10           HA       ARG  10  -3.875  -2.831  -5.827
   70   1HB   ARG  10          1HB       ARG  10  -2.714  -5.032  -6.018
   71   2HB   ARG  10          2HB       ARG  10  -4.445  -5.079  -6.289
   72   1HG   ARG  10          1HG       ARG  10  -4.069  -5.189  -8.699
   73   2HG   ARG  10          2HG       ARG  10  -2.323  -5.137  -8.427
   74   1HD   ARG  10          1HD       ARG  10  -2.399  -7.222  -7.231
   75   2HD   ARG  10          2HD       ARG  10  -4.162  -7.248  -7.304
   76    HE   ARG  10           HE       ARG  10  -3.123  -7.119  -9.920
   77   1HH1  ARG  10          1HH1      ARG  10  -3.430  -9.355  -7.234
   78   2HH1  ARG  10          2HH1      ARG  10  -3.357 -10.767  -8.248
   79   1HH2  ARG  10          1HH2      ARG  10  -2.979  -8.969 -11.236
   80   2HH2  ARG  10          2HH2      ARG  10  -3.051 -10.551 -10.519
   81    HA   PRO  11           HA       PRO  11   0.004  -0.984  -6.801
   82   1HB   PRO  11          1HB       PRO  11   1.195  -1.429  -4.375
   83   2HB   PRO  11          2HB       PRO  11   0.067  -0.120  -4.694
   84   1HG   PRO  11          1HG       PRO  11  -0.383  -2.680  -3.325
   85   2HG   PRO  11          2HG       PRO  11  -1.095  -1.099  -3.005
   86   1HD   PRO  11          1HD       PRO  11  -2.396  -3.129  -4.298
   87   2HD   PRO  11          2HD       PRO  11  -2.761  -1.409  -4.530
   88    H    GLN  12           H        GLN  12   2.185  -1.611  -7.116
   89    HA   GLN  12           HA       GLN  12   2.535  -4.518  -7.203
   90   1HB   GLN  12          1HB       GLN  12   3.257  -2.438  -9.265
   91   2HB   GLN  12          2HB       GLN  12   3.656  -4.144  -9.379
   92   1HG   GLN  12          1HG       GLN  12   0.846  -3.157  -9.071
   93   2HG   GLN  12          2HG       GLN  12   1.610  -3.360 -10.647
   94   1HE2  GLN  12          1HE2      GLN  12   0.557  -5.062  -7.734
   95   2HE2  GLN  12          2HE2      GLN  12   0.456  -6.622  -8.475
   96    H    ASP  13           H        ASP  13   4.973  -5.006  -7.727
   97    HA   ASP  13           HA       ASP  13   6.452  -4.144  -5.557
   98   1HB   ASP  13          1HB       ASP  13   8.178  -5.520  -6.772
   99   2HB   ASP  13          2HB       ASP  13   6.694  -6.354  -6.407
  100    H    GLY  14           H        GLY  14   8.828  -4.312  -7.292
  101   1HA   GLY  14          1HA       GLY  14   9.459  -2.280  -8.873
  102   2HA   GLY  14          2HA       GLY  14   9.245  -1.447  -7.341
  103    H    GLU  15           H        GLU  15  11.496  -2.155  -9.132
  104    HA   GLU  15           HA       GLU  15  13.310  -3.135  -7.036
  105   1HB   GLU  15          1HB       GLU  15  13.624  -3.340 -10.042
  106   2HB   GLU  15          2HB       GLU  15  14.859  -3.787  -8.876
  107   1HG   GLU  15          1HG       GLU  15  13.261  -5.479  -7.960
  108   2HG   GLU  15          2HG       GLU  15  12.195  -5.102  -9.315
  109    H    VAL  16           H        VAL  16  14.582  -1.553  -6.269
  110    HA   VAL  16           HA       VAL  16  15.187   0.684  -7.954
  111    HB   VAL  16           HB       VAL  16  14.523   2.222  -6.339
  112   1HG1  VAL  16          1HG1      VAL  16  12.387   0.119  -6.311
  113   2HG1  VAL  16          2HG1      VAL  16  12.629   1.339  -7.562
  114   3HG1  VAL  16          3HG1      VAL  16  12.161   1.829  -5.935
  115   1HG2  VAL  16          1HG2      VAL  16  14.117  -0.030  -4.390
  116   2HG2  VAL  16          2HG2      VAL  16  13.776   1.668  -4.064
  117   3HG2  VAL  16          3HG2      VAL  16  15.437   1.141  -4.362
  118    H    THR  17           H        THR  17  16.875   1.876  -6.933
  119    HA   THR  17           HA       THR  17  18.866   0.096  -5.778
  120    HB   THR  17           HB       THR  17  19.594   2.872  -6.496
  121    HG1  THR  17           HG1      THR  17  19.760   1.927  -8.793
  122   1HG2  THR  17          1HG2      THR  17  20.840   0.191  -7.120
  123   2HG2  THR  17          2HG2      THR  17  21.258   1.227  -5.757
  124   3HG2  THR  17          3HG2      THR  17  21.575   1.772  -7.405
  125    H    VAL  18           H        VAL  18  20.091   0.803  -3.956
  126    HA   VAL  18           HA       VAL  18  18.744   1.970  -1.858
  127    HB   VAL  18           HB       VAL  18  21.714   1.940  -2.188
  128   1HG1  VAL  18          1HG1      VAL  18  19.960   2.172   0.236
  129   2HG1  VAL  18          2HG1      VAL  18  21.043   3.402  -0.419
  130   3HG1  VAL  18          3HG1      VAL  18  21.705   1.929   0.292
  131   1HG2  VAL  18          1HG2      VAL  18  20.746  -0.304  -2.468
  132   2HG2  VAL  18          2HG2      VAL  18  19.955  -0.129  -0.899
  133   3HG2  VAL  18          3HG2      VAL  18  21.716  -0.175  -1.000
  134    H    GLY  19           H        GLY  19  17.985   3.746  -2.085
  135   1HA   GLY  19          1HA       GLY  19  18.377   6.001  -1.242
  136   2HA   GLY  19          2HA       GLY  19  19.786   6.061  -2.285
  137    H    GLY  20           H        GLY  20  17.098   4.651  -3.930
  138   1HA   GLY  20          1HA       GLY  20  16.673   7.195  -5.274
  139   2HA   GLY  20          2HA       GLY  20  16.110   5.634  -5.784
  140    H    SER  21           H        SER  21  14.201   5.535  -5.790
  141    HA   SER  21           HA       SER  21  12.610   6.033  -3.512
  142   1HB   SER  21          1HB       SER  21  10.938   7.188  -4.963
  143   2HB   SER  21          2HB       SER  21  12.352   8.109  -4.541
  144    HG   SER  21           HG       SER  21  11.415   7.624  -6.948
  145    H    ILE  22           H        ILE  22  10.523   5.237  -3.820
  146    HA   ILE  22           HA       ILE  22   9.913   3.615  -6.064
  147    HB   ILE  22           HB       ILE  22  10.875   2.078  -4.440
  148   1HG1  ILE  22          1HG1      ILE  22   9.031   0.457  -4.482
  149   2HG1  ILE  22          2HG1      ILE  22   7.939   1.745  -4.952
  150   1HG2  ILE  22          1HG2      ILE  22  10.297   3.049  -2.343
  151   2HG2  ILE  22          2HG2      ILE  22   9.553   1.451  -2.438
  152   3HG2  ILE  22          3HG2      ILE  22   8.580   2.897  -2.708
  153   1HD1  ILE  22          1HD1      ILE  22   9.236   2.051  -7.015
  154   2HD1  ILE  22          2HD1      ILE  22   8.557   0.428  -6.877
  155   3HD1  ILE  22          3HD1      ILE  22  10.269   0.699  -6.546
  156    H    THR  23           H        THR  23   7.813   3.238  -6.180
  157    HA   THR  23           HA       THR  23   6.035   4.992  -4.689
  158    HB   THR  23           HB       THR  23   6.030   5.070  -7.692
  159    HG1  THR  23           HG1      THR  23   7.762   6.226  -6.033
  160   1HG2  THR  23          1HG2      THR  23   3.902   5.607  -6.569
  161   2HG2  THR  23          2HG2      THR  23   4.589   7.017  -7.378
  162   3HG2  THR  23          3HG2      THR  23   4.727   6.851  -5.628
  163    H    PHE  24           H        PHE  24   4.290   4.072  -4.230
  164    HA   PHE  24           HA       PHE  24   3.279   1.806  -5.803
  165   1HB   PHE  24          1HB       PHE  24   3.080   2.240  -2.812
  166   2HB   PHE  24          2HB       PHE  24   2.457   0.874  -3.713
  167    HD1  PHE  24           HD1      PHE  24   4.452  -0.144  -5.332
  168    HD2  PHE  24           HD2      PHE  24   4.924   1.743  -1.554
  169    HE1  PHE  24           HE1      PHE  24   6.582  -1.325  -5.021
  170    HE2  PHE  24           HE2      PHE  24   7.064   0.568  -1.233
  171    HZ   PHE  24           HZ       PHE  24   7.884  -0.971  -2.917
  172    H    SER  25           H        SER  25   1.166   1.858  -6.228
  173    HA   SER  25           HA       SER  25  -0.515   3.914  -5.041
  174   1HB   SER  25          1HB       SER  25  -1.287   3.209  -7.750
  175   2HB   SER  25          2HB       SER  25  -1.090   4.793  -7.012
  176    HG   SER  25           HG       SER  25   1.156   4.616  -7.366
  177    H    ALA  26           H        ALA  26  -2.108   3.062  -4.102
  178    HA   ALA  26           HA       ALA  26  -3.136   0.427  -4.914
  179   1HB   ALA  26          1HB       ALA  26  -1.913   1.164  -2.490
  180   2HB   ALA  26          2HB       ALA  26  -2.699  -0.357  -2.875
  181   3HB   ALA  26          3HB       ALA  26  -3.620   0.947  -2.132
  182    H    ARG  27           H        ARG  27  -5.148   0.534  -5.623
  183    HA   ARG  27           HA       ARG  27  -6.820   2.809  -4.797
  184   1HB   ARG  27          1HB       ARG  27  -6.866   1.062  -7.252
  185   2HB   ARG  27          2HB       ARG  27  -8.145   2.205  -6.864
  186   1HG   ARG  27          1HG       ARG  27  -6.647   4.048  -7.032
  187   2HG   ARG  27          2HG       ARG  27  -5.258   2.970  -7.187
  188   1HD   ARG  27          1HD       ARG  27  -5.910   3.875  -9.350
  189   2HD   ARG  27          2HD       ARG  27  -6.126   2.124  -9.295
  190    HE   ARG  27           HE       ARG  27  -8.573   2.869  -8.746
  191   1HH1  ARG  27          1HH1      ARG  27  -6.374   4.384 -11.007
  192   2HH1  ARG  27          2HH1      ARG  27  -7.622   4.782 -12.151
  193   1HH2  ARG  27          1HH2      ARG  27 -10.226   3.411 -10.248
  194   2HH2  ARG  27          2HH2      ARG  27  -9.804   4.238 -11.720
  195    H    VAL  28           H        VAL  28  -8.460   2.416  -3.453
  196    HA   VAL  28           HA       VAL  28  -9.562  -0.275  -3.363
  197    HB   VAL  28           HB       VAL  28  -9.401   1.569  -0.989
  198   1HG1  VAL  28          1HG1      VAL  28  -9.976  -0.395   0.284
  199   2HG1  VAL  28          2HG1      VAL  28  -9.870  -1.408  -1.155
  200   3HG1  VAL  28          3HG1      VAL  28 -11.155  -0.207  -1.022
  201   1HG2  VAL  28          1HG2      VAL  28  -7.147   1.064  -1.684
  202   2HG2  VAL  28          2HG2      VAL  28  -7.523  -0.658  -1.762
  203   3HG2  VAL  28          3HG2      VAL  28  -7.528   0.178  -0.209
  204    H    ALA  29           H        ALA  29 -11.569  -0.369  -3.565
  205    HA   ALA  29           HA       ALA  29 -13.226   1.729  -4.287
  206   1HB   ALA  29          1HB       ALA  29 -14.027  -1.000  -3.289
  207   2HB   ALA  29          2HB       ALA  29 -13.636  -0.592  -4.958
  208   3HB   ALA  29          3HB       ALA  29 -15.051   0.123  -4.183
  209    H    GLY  30           H        GLY  30 -13.644   3.313  -2.995
  210   1HA   GLY  30          1HA       GLY  30 -14.046   3.411  -0.264
  211   2HA   GLY  30          2HA       GLY  30 -14.909   4.433  -1.413
  212    H    ALA  31           H        ALA  31 -16.239   2.443  -2.813
  213    HA   ALA  31           HA       ALA  31 -18.063   1.090  -2.845
  214   1HB   ALA  31          1HB       ALA  31 -16.750  -0.180  -0.465
  215   2HB   ALA  31          2HB       ALA  31 -16.117  -0.314  -2.105
  216   3HB   ALA  31          3HB       ALA  31 -17.716  -0.962  -1.730
  217    H    SER  32           H        SER  32 -18.974  -0.405  -0.522
  218    HA   SER  32           HA       SER  32 -20.269   1.673   1.095
  219   1HB   SER  32          1HB       SER  32 -21.413  -1.090   0.851
  220   2HB   SER  32          2HB       SER  32 -22.242   0.445   1.118
  221    HG   SER  32           HG       SER  32 -22.108   0.915  -1.015
  222    H    LEU  33           H        LEU  33 -20.449   1.115   3.340
  223    HA   LEU  33           HA       LEU  33 -19.801  -1.192   4.644
  224   1HB   LEU  33          1HB       LEU  33 -17.553  -1.278   3.962
  225   2HB   LEU  33          2HB       LEU  33 -17.370   0.457   3.999
  226    HG   LEU  33           HG       LEU  33 -17.111   0.475   6.335
  227   1HD1  LEU  33          1HD1      LEU  33 -18.701  -1.262   7.022
  228   2HD1  LEU  33          2HD1      LEU  33 -17.119  -1.567   7.738
  229   3HD1  LEU  33          3HD1      LEU  33 -17.648  -2.498   6.337
  230   1HD2  LEU  33          1HD2      LEU  33 -15.137  -0.929   6.706
  231   2HD2  LEU  33          2HD2      LEU  33 -15.096   0.021   5.224
  232   3HD2  LEU  33          3HD2      LEU  33 -15.459  -1.706   5.157
  233    H    LEU  34           H        LEU  34 -20.025  -0.913   6.850
  234    HA   LEU  34           HA       LEU  34 -21.476   1.094   7.894
  235   1HB   LEU  34          1HB       LEU  34 -20.855  -1.058   8.982
  236   2HB   LEU  34          2HB       LEU  34 -19.317  -0.320   9.409
  237    HG   LEU  34           HG       LEU  34 -20.611   1.469  10.570
  238   1HD1  LEU  34          1HD1      LEU  34 -22.891  -0.454  10.180
  239   2HD1  LEU  34          2HD1      LEU  34 -22.738   1.151   9.466
  240   3HD1  LEU  34          3HD1      LEU  34 -22.911   0.976  11.212
  241   1HD2  LEU  34          1HD2      LEU  34 -19.512  -0.274  11.831
  242   2HD2  LEU  34          2HD2      LEU  34 -20.876  -1.361  11.574
  243   3HD2  LEU  34          3HD2      LEU  34 -21.074   0.085  12.563
  244    H    LYS  35           H        LYS  35 -18.027   0.893   7.766
  245    HA   LYS  35           HA       LYS  35 -17.735   3.778   8.241
  246   1HB   LYS  35          1HB       LYS  35 -15.311   2.845   8.936
  247   2HB   LYS  35          2HB       LYS  35 -16.618   3.054  10.089
  248   1HG   LYS  35          1HG       LYS  35 -16.002   0.953  10.633
  249   2HG   LYS  35          2HG       LYS  35 -17.156   0.567   9.358
  250   1HD   LYS  35          1HD       LYS  35 -15.385   0.265   7.757
  251   2HD   LYS  35          2HD       LYS  35 -14.188   0.874   8.915
  252   1HE   LYS  35          1HE       LYS  35 -15.821  -1.647   9.204
  253   2HE   LYS  35          2HE       LYS  35 -14.112  -1.559   8.778
  254   1HZ   LYS  35          1HZ       LYS  35 -13.690  -0.536  10.965
  255   2HZ   LYS  35          2HZ       LYS  35 -14.362  -2.085  11.104
  256   3HZ   LYS  35          3HZ       LYS  35 -15.329  -0.719  11.366
  257    HA   PRO  36           HA       PRO  36 -15.345   3.685   4.398
  258   1HB   PRO  36          1HB       PRO  36 -12.848   4.623   5.591
  259   2HB   PRO  36          2HB       PRO  36 -13.911   5.464   4.458
  260   1HG   PRO  36          1HG       PRO  36 -13.622   6.210   7.057
  261   2HG   PRO  36          2HG       PRO  36 -15.113   6.466   6.132
  262   1HD   PRO  36          1HD       PRO  36 -14.475   4.309   8.109
  263   2HD   PRO  36          2HD       PRO  36 -15.978   5.228   7.904
  264    HA   PRO  37           HA       PRO  37 -13.340  -0.223   4.558
  265   1HB   PRO  37          1HB       PRO  37 -11.456   0.632   2.503
  266   2HB   PRO  37          2HB       PRO  37 -12.657  -0.656   2.457
  267   1HG   PRO  37          1HG       PRO  37 -13.056   1.591   1.037
  268   2HG   PRO  37          2HG       PRO  37 -14.406   0.754   1.845
  269   1HD   PRO  37          1HD       PRO  37 -12.959   3.218   2.681
  270   2HD   PRO  37          2HD       PRO  37 -14.694   2.817   2.745
  271    H    VAL  38           H        VAL  38 -11.762  -1.105   5.620
  272    HA   VAL  38           HA       VAL  38  -9.657   0.649   6.606
  273    HB   VAL  38           HB       VAL  38 -10.008  -2.084   7.650
  274   1HG1  VAL  38          1HG1      VAL  38  -8.142  -0.797   8.432
  275   2HG1  VAL  38          2HG1      VAL  38  -9.281  -1.030   9.758
  276   3HG1  VAL  38          3HG1      VAL  38  -9.213   0.517   8.919
  277   1HG2  VAL  38          1HG2      VAL  38 -11.671  -1.389   9.303
  278   2HG2  VAL  38          2HG2      VAL  38 -12.300  -1.242   7.662
  279   3HG2  VAL  38          3HG2      VAL  38 -11.765   0.193   8.532
  280    H    VAL  39           H        VAL  39  -8.257   0.523   5.195
  281    HA   VAL  39           HA       VAL  39  -7.176  -2.005   4.276
  282    HB   VAL  39           HB       VAL  39  -6.189   0.625   3.301
  283   1HG1  VAL  39          1HG1      VAL  39  -5.789  -0.606   1.230
  284   2HG1  VAL  39          2HG1      VAL  39  -6.513  -2.042   1.959
  285   3HG1  VAL  39          3HG1      VAL  39  -5.022  -1.370   2.624
  286   1HG2  VAL  39          1HG2      VAL  39  -8.662  -0.656   2.162
  287   2HG2  VAL  39          2HG2      VAL  39  -7.877   0.818   1.594
  288   3HG2  VAL  39          3HG2      VAL  39  -8.650   0.784   3.177
  289    H    LYS  40           H        LYS  40  -5.627  -2.562   5.593
  290    HA   LYS  40           HA       LYS  40  -3.843  -0.582   6.621
  291   1HB   LYS  40          1HB       LYS  40  -3.105  -2.178   8.240
  292   2HB   LYS  40          2HB       LYS  40  -4.829  -1.988   8.329
  293   1HG   LYS  40          1HG       LYS  40  -4.691  -4.241   8.507
  294   2HG   LYS  40          2HG       LYS  40  -4.768  -4.095   6.751
  295   1HD   LYS  40          1HD       LYS  40  -2.357  -4.275   6.577
  296   2HD   LYS  40          2HD       LYS  40  -2.203  -4.272   8.338
  297   1HE   LYS  40          1HE       LYS  40  -3.712  -6.381   6.813
  298   2HE   LYS  40          2HE       LYS  40  -2.003  -6.514   7.221
  299   1HZ   LYS  40          1HZ       LYS  40  -4.160  -6.139   9.223
  300   2HZ   LYS  40          2HZ       LYS  40  -2.526  -6.469   9.525
  301   3HZ   LYS  40          3HZ       LYS  40  -3.500  -7.641   8.793
  302    H    TRP  41           H        TRP  41  -2.103  -0.385   5.938
  303    HA   TRP  41           HA       TRP  41  -0.997  -2.025   3.836
  304   1HB   TRP  41          1HB       TRP  41  -0.157   0.543   5.172
  305   2HB   TRP  41          2HB       TRP  41   0.853  -0.277   3.987
  306    HD1  TRP  41           HD1      TRP  41  -2.551   1.499   4.274
  307    HE1  TRP  41           HE1      TRP  41  -3.155   2.355   1.895
  308    HE3  TRP  41           HE3      TRP  41   1.199  -0.710   1.593
  309    HZ2  TRP  41           HZ2      TRP  41  -2.217   2.064  -0.718
  310    HZ3  TRP  41           HZ3      TRP  41   1.250  -0.400  -0.847
  311    HH2  TRP  41           HH2      TRP  41  -0.442   0.959  -1.974
  312    H    PHE  42           H        PHE  42   0.989  -2.911   3.865
  313    HA   PHE  42           HA       PHE  42   2.334  -3.227   6.453
  314   1HB   PHE  42          1HB       PHE  42   1.108  -5.343   5.555
  315   2HB   PHE  42          2HB       PHE  42   2.341  -5.352   4.302
  316    HD1  PHE  42           HD1      PHE  42   4.558  -6.119   4.750
  317    HD2  PHE  42           HD2      PHE  42   1.732  -5.718   7.908
  318    HE1  PHE  42           HE1      PHE  42   6.047  -7.392   6.243
  319    HE2  PHE  42           HE2      PHE  42   3.217  -6.982   9.403
  320    HZ   PHE  42           HZ       PHE  42   5.379  -7.819   8.575
  321    H    LYS  43           H        LYS  43   4.540  -2.993   6.272
  322    HA   LYS  43           HA       LYS  43   5.354  -1.780   3.712
  323   1HB   LYS  43          1HB       LYS  43   5.437  -0.128   5.456
  324   2HB   LYS  43          2HB       LYS  43   6.161  -1.256   6.593
  325   1HG   LYS  43          1HG       LYS  43   8.256  -1.174   5.352
  326   2HG   LYS  43          2HG       LYS  43   7.520  -0.073   4.182
  327   1HD   LYS  43          1HD       LYS  43   7.292   1.641   5.779
  328   2HD   LYS  43          2HD       LYS  43   7.575   0.535   7.122
  329   1HE   LYS  43          1HE       LYS  43   9.899   0.219   6.246
  330   2HE   LYS  43          2HE       LYS  43   9.569   1.515   5.098
  331   1HZ   LYS  43          1HZ       LYS  43   9.289   1.851   8.027
  332   2HZ   LYS  43          2HZ       LYS  43   9.298   3.064   6.845
  333   3HZ   LYS  43          3HZ       LYS  43  10.719   2.210   7.200
  334    H    GLY  44           H        GLY  44   7.700  -2.223   3.259
  335   1HA   GLY  44          1HA       GLY  44   8.733  -4.272   2.455
  336   2HA   GLY  44          2HA       GLY  44   9.754  -3.439   3.586
  337    H    LYS  45           H        LYS  45  10.826  -5.521   3.702
  338    HA   LYS  45           HA       LYS  45   9.709  -7.983   3.960
  339   1HB   LYS  45          1HB       LYS  45  12.279  -6.765   4.448
  340   2HB   LYS  45          2HB       LYS  45  12.027  -8.156   5.493
  341   1HG   LYS  45          1HG       LYS  45  11.483  -9.506   3.499
  342   2HG   LYS  45          2HG       LYS  45  11.800  -8.105   2.477
  343   1HD   LYS  45          1HD       LYS  45  13.738  -9.521   2.473
  344   2HD   LYS  45          2HD       LYS  45  14.117  -8.056   3.384
  345   1HE   LYS  45          1HE       LYS  45  13.931  -9.182   5.453
  346   2HE   LYS  45          2HE       LYS  45  13.166 -10.587   4.706
  347   1HZ   LYS  45          1HZ       LYS  45  15.434 -11.099   5.195
  348   2HZ   LYS  45          2HZ       LYS  45  15.990  -9.717   4.386
  349   3HZ   LYS  45          3HZ       LYS  45  15.273 -10.980   3.514
  350    H    TRP  46           H        TRP  46   9.180  -5.760   6.457
  351    HA   TRP  46           HA       TRP  46   8.142  -7.808   8.184
  352   1HB   TRP  46          1HB       TRP  46   9.564  -6.907  10.100
  353   2HB   TRP  46          2HB       TRP  46  10.297  -8.051   8.991
  354    HD1  TRP  46           HD1      TRP  46  12.049  -6.999   7.188
  355    HE1  TRP  46           HE1      TRP  46  13.479  -4.882   7.273
  356    HE3  TRP  46           HE3      TRP  46   9.719  -4.659  11.056
  357    HZ2  TRP  46           HZ2      TRP  46  13.618  -2.483   8.839
  358    HZ3  TRP  46           HZ3      TRP  46  10.544  -2.472  11.801
  359    HH2  TRP  46           HH2      TRP  46  12.435  -1.405  10.718
  360    H    VAL  47           H        VAL  47   8.043  -4.645   7.175
  361    HA   VAL  47           HA       VAL  47   7.582  -3.422   9.674
  362    HB   VAL  47           HB       VAL  47   7.544  -1.619   7.444
  363   1HG1  VAL  47          1HG1      VAL  47   8.022  -1.036   9.754
  364   2HG1  VAL  47          2HG1      VAL  47   9.345  -0.567   8.684
  365   3HG1  VAL  47          3HG1      VAL  47   9.492  -2.012   9.686
  366   1HG2  VAL  47          1HG2      VAL  47   8.890  -3.119   6.172
  367   2HG2  VAL  47          2HG2      VAL  47   9.918  -3.471   7.565
  368   3HG2  VAL  47          3HG2      VAL  47   9.960  -1.876   6.818
  369    H    ASP  48           H        ASP  48   6.122  -1.710   9.616
  370    HA   ASP  48           HA       ASP  48   3.601  -2.100   8.258
  371   1HB   ASP  48          1HB       ASP  48   2.735  -0.797  10.179
  372   2HB   ASP  48          2HB       ASP  48   3.375  -2.347  10.672
  373    H    LEU  49           H        LEU  49   2.659  -0.099   7.492
  374    HA   LEU  49           HA       LEU  49   4.473   2.160   7.319
  375   1HB   LEU  49          1HB       LEU  49   1.803   1.722   6.015
  376   2HB   LEU  49          2HB       LEU  49   2.761   3.181   5.865
  377    HG   LEU  49           HG       LEU  49   4.566   1.607   4.892
  378   1HD1  LEU  49          1HD1      LEU  49   3.731  -0.279   3.709
  379   2HD1  LEU  49          2HD1      LEU  49   2.083   0.044   4.253
  380   3HD1  LEU  49          3HD1      LEU  49   3.316  -0.476   5.413
  381   1HD2  LEU  49          1HD2      LEU  49   3.370   3.353   3.676
  382   2HD2  LEU  49          2HD2      LEU  49   2.045   2.218   3.389
  383   3HD2  LEU  49          3HD2      LEU  49   3.633   1.915   2.688
  384    H    SER  50           H        SER  50   1.550   1.267   8.912
  385    HA   SER  50           HA       SER  50   0.303   3.751   8.862
  386   1HB   SER  50          1HB       SER  50  -0.739   1.458   9.352
  387   2HB   SER  50          2HB       SER  50  -0.124   1.651  10.994
  388    HG   SER  50           HG       SER  50  -1.987   3.301   9.618
  389    H    SER  51           H        SER  51   2.927   2.522  10.664
  390    HA   SER  51           HA       SER  51   2.450   4.492  12.655
  391   1HB   SER  51          1HB       SER  51   4.074   2.018  12.667
  392   2HB   SER  51          2HB       SER  51   4.388   3.283  13.834
  393    HG   SER  51           HG       SER  51   1.738   2.693  13.620
  394    H    LYS  52           H        LYS  52   4.374   3.872  10.030
  395    HA   LYS  52           HA       LYS  52   6.561   5.541  10.894
  396   1HB   LYS  52          1HB       LYS  52   6.703   4.510   8.189
  397   2HB   LYS  52          2HB       LYS  52   7.843   4.363   9.503
  398   1HG   LYS  52          1HG       LYS  52   5.481   2.625   8.945
  399   2HG   LYS  52          2HG       LYS  52   7.170   2.202   8.760
  400   1HD   LYS  52          1HD       LYS  52   5.887   2.883  11.394
  401   2HD   LYS  52          2HD       LYS  52   6.018   1.236  10.766
  402   1HE   LYS  52          1HE       LYS  52   8.456   1.456  10.748
  403   2HE   LYS  52          2HE       LYS  52   8.321   3.111  11.352
  404   1HZ   LYS  52          1HZ       LYS  52   7.557   0.609  12.762
  405   2HZ   LYS  52          2HZ       LYS  52   7.154   2.157  13.315
  406   3HZ   LYS  52          3HZ       LYS  52   8.777   1.701  13.196
  407    H    VAL  53           H        VAL  53   4.885   5.228   7.868
  408    HA   VAL  53           HA       VAL  53   4.754   6.847   6.179
  409    HB   VAL  53           HB       VAL  53   2.510   6.994   8.170
  410   1HG1  VAL  53          1HG1      VAL  53   2.700   8.154   5.409
  411   2HG1  VAL  53          2HG1      VAL  53   2.063   8.905   6.878
  412   3HG1  VAL  53          3HG1      VAL  53   1.156   7.612   6.071
  413   1HG2  VAL  53          1HG2      VAL  53   2.867   5.480   5.608
  414   2HG2  VAL  53          2HG2      VAL  53   1.429   5.453   6.628
  415   3HG2  VAL  53          3HG2      VAL  53   2.956   4.813   7.236
  416    H    GLY  54           H        GLY  54   6.238   8.329   6.075
  417   1HA   GLY  54          1HA       GLY  54   5.589  10.969   7.032
  418   2HA   GLY  54          2HA       GLY  54   7.017  10.289   7.814
  419    H    GLN  55           H        GLN  55   8.400  11.837   6.823
  420    HA   GLN  55           HA       GLN  55   8.224  12.493   4.095
  421   1HB   GLN  55          1HB       GLN  55  10.440  12.887   6.082
  422   2HB   GLN  55          2HB       GLN  55  10.476  13.542   4.449
  423   1HG   GLN  55          1HG       GLN  55   8.424  14.777   4.902
  424   2HG   GLN  55          2HG       GLN  55   8.407  14.142   6.548
  425   1HE2  GLN  55          1HE2      GLN  55   9.963  16.296   4.319
  426   2HE2  GLN  55          2HE2      GLN  55  10.839  17.211   5.495
  427    H    HIS  56           H        HIS  56   9.396   9.616   5.351
  428    HA   HIS  56           HA       HIS  56  11.161   9.179   3.036
  429   1HB   HIS  56          1HB       HIS  56  12.227   8.409   4.990
  430   2HB   HIS  56          2HB       HIS  56  10.746   7.745   5.648
  431    HD1  HIS  56           HD1      HIS  56   9.888   5.506   4.557
  432    HD2  HIS  56           HD2      HIS  56  13.740   6.624   3.501
  433    HE1  HIS  56           HE1      HIS  56  10.864   3.499   3.435
  434    HE2  HIS  56           HE2      HIS  56  13.122   4.289   2.599
  435    H    LEU  57           H        LEU  57   8.345   7.929   4.617
  436    HA   LEU  57           HA       LEU  57   7.439   6.641   2.147
  437   1HB   LEU  57          1HB       LEU  57   8.181   4.892   3.589
  438   2HB   LEU  57          2HB       LEU  57   7.513   5.626   5.001
  439    HG   LEU  57           HG       LEU  57   6.514   3.513   3.379
  440   1HD1  LEU  57          1HD1      LEU  57   6.579   3.587   5.788
  441   2HD1  LEU  57          2HD1      LEU  57   4.933   3.316   5.215
  442   3HD1  LEU  57          3HD1      LEU  57   5.411   4.908   5.804
  443   1HD2  LEU  57          1HD2      LEU  57   4.251   4.132   2.945
  444   2HD2  LEU  57          2HD2      LEU  57   5.278   5.311   2.132
  445   3HD2  LEU  57          3HD2      LEU  57   4.487   5.731   3.647
  446    H    GLN  58           H        GLN  58   5.997   8.165   1.634
  447    HA   GLN  58           HA       GLN  58   4.116   9.012   3.645
  448   1HB   GLN  58          1HB       GLN  58   3.422   9.912   0.991
  449   2HB   GLN  58          2HB       GLN  58   3.828  10.874   2.397
  450   1HG   GLN  58          1HG       GLN  58   5.774   9.784   0.363
  451   2HG   GLN  58          2HG       GLN  58   5.212  11.443   0.481
  452   1HE2  GLN  58          1HE2      GLN  58   7.664   9.314   1.309
  453   2HE2  GLN  58          2HE2      GLN  58   8.324  10.184   2.653
  454    H    LEU  59           H        LEU  59   2.688   7.579   3.962
  455    HA   LEU  59           HA       LEU  59   1.474   6.134   1.739
  456   1HB   LEU  59          1HB       LEU  59   2.219   4.899   3.884
  457   2HB   LEU  59          2HB       LEU  59   0.966   5.777   4.718
  458    HG   LEU  59           HG       LEU  59   0.713   3.510   2.770
  459   1HD1  LEU  59          1HD1      LEU  59  -0.915   2.945   4.693
  460   2HD1  LEU  59          2HD1      LEU  59  -0.033   4.213   5.567
  461   3HD1  LEU  59          3HD1      LEU  59   0.827   2.795   4.933
  462   1HD2  LEU  59          1HD2      LEU  59  -1.499   5.431   3.502
  463   2HD2  LEU  59          2HD2      LEU  59  -1.696   3.891   2.666
  464   3HD2  LEU  59          3HD2      LEU  59  -0.803   5.208   1.896
  465    H    HIS  60           H        HIS  60   0.388   7.788   0.872
  466    HA   HIS  60           HA       HIS  60  -1.398   9.296   2.542
  467   1HB   HIS  60          1HB       HIS  60   0.295  10.575   1.250
  468   2HB   HIS  60          2HB       HIS  60  -0.430   9.984  -0.229
  469    HD1  HIS  60           HD1      HIS  60  -2.000  11.554   2.885
  470    HD2  HIS  60           HD2      HIS  60  -1.799  12.083  -1.240
  471    HE1  HIS  60           HE1      HIS  60  -3.527  13.486   2.368
  472    HE2  HIS  60           HE2      HIS  60  -3.421  13.764  -0.129
  473    H    ASP  61           H        ASP  61  -3.231   9.945   1.469
  474    HA   ASP  61           HA       ASP  61  -4.493   7.877  -0.060
  475   1HB   ASP  61          1HB       ASP  61  -6.555   8.553   1.415
  476   2HB   ASP  61          2HB       ASP  61  -5.477   7.248   1.822
  477    H    SER  62           H        SER  62  -5.326   8.524  -1.574
  478    HA   SER  62           HA       SER  62  -6.416  11.210  -1.922
  479   1HB   SER  62          1HB       SER  62  -6.402   9.152  -4.085
  480   2HB   SER  62          2HB       SER  62  -6.363  10.902  -4.233
  481    HG   SER  62           HG       SER  62  -4.243   9.227  -3.347
  482    H    TYR  63           H        TYR  63  -8.606  11.407  -2.607
  483    HA   TYR  63           HA       TYR  63 -10.240   9.145  -1.955
  484   1HB   TYR  63          1HB       TYR  63 -10.052   9.783   0.180
  485   2HB   TYR  63          2HB       TYR  63  -9.804  11.476  -0.189
  486    HD1  TYR  63           HD1      TYR  63 -11.523  12.965   0.325
  487    HD2  TYR  63           HD2      TYR  63 -12.456   8.862  -0.311
  488    HE1  TYR  63           HE1      TYR  63 -13.869  13.409   0.917
  489    HE2  TYR  63           HE2      TYR  63 -14.798   9.293   0.284
  490    HH   TYR  63           HH       TYR  63 -16.108  10.930   1.551
  491    H    ASP  64           H        ASP  64 -11.228   9.099  -3.774
  492    HA   ASP  64           HA       ASP  64 -13.081  11.342  -4.168
  493   1HB   ASP  64          1HB       ASP  64 -11.534  10.857  -6.133
  494   2HB   ASP  64          2HB       ASP  64 -12.490   9.400  -6.362
  495    H    ARG  65           H        ARG  65 -15.025  10.953  -3.967
  496    HA   ARG  65           HA       ARG  65 -15.828   8.381  -2.925
  497   1HB   ARG  65          1HB       ARG  65 -16.546  11.084  -2.416
  498   2HB   ARG  65          2HB       ARG  65 -18.000  10.211  -2.902
  499   1HG   ARG  65          1HG       ARG  65 -16.100   9.456  -0.709
  500   2HG   ARG  65          2HG       ARG  65 -17.748  10.068  -0.522
  501   1HD   ARG  65          1HD       ARG  65 -17.244   7.657  -2.197
  502   2HD   ARG  65          2HD       ARG  65 -17.283   7.482  -0.431
  503    HE   ARG  65           HE       ARG  65 -19.520   8.704  -1.933
  504   1HH1  ARG  65          1HH1      ARG  65 -18.312   6.299   0.323
  505   2HH1  ARG  65          2HH1      ARG  65 -19.895   5.757   0.781
  506   1HH2  ARG  65          1HH2      ARG  65 -21.587   7.986  -1.332
  507   2HH2  ARG  65          2HH2      ARG  65 -21.766   6.703  -0.166
  508    H    ALA  66           H        ALA  66 -16.731  10.533  -5.477
  509    HA   ALA  66           HA       ALA  66 -18.819   8.891  -6.504
  510   1HB   ALA  66          1HB       ALA  66 -17.442  11.255  -7.760
  511   2HB   ALA  66          2HB       ALA  66 -18.896  11.315  -6.764
  512   3HB   ALA  66          3HB       ALA  66 -18.935  10.506  -8.330
  513    H    SER  67           H        SER  67 -15.432   9.009  -6.851
  514    HA   SER  67           HA       SER  67 -15.472   7.389  -9.275
  515   1HB   SER  67          1HB       SER  67 -13.689   9.131  -8.971
  516   2HB   SER  67          2HB       SER  67 -13.111   8.243  -7.565
  517    HG   SER  67           HG       SER  67 -13.303   6.559  -9.635
  518    H    LYS  68           H        LYS  68 -15.430   7.293  -5.899
  519    HA   LYS  68           HA       LYS  68 -15.850   5.607  -4.450
  520   1HB   LYS  68          1HB       LYS  68 -17.222   4.721  -6.368
  521   2HB   LYS  68          2HB       LYS  68 -15.817   3.789  -6.850
  522   1HG   LYS  68          1HG       LYS  68 -16.754   2.179  -5.619
  523   2HG   LYS  68          2HG       LYS  68 -16.035   3.056  -4.274
  524   1HD   LYS  68          1HD       LYS  68 -18.811   3.619  -5.280
  525   2HD   LYS  68          2HD       LYS  68 -18.479   2.414  -4.040
  526   1HE   LYS  68          1HE       LYS  68 -17.431   4.161  -2.650
  527   2HE   LYS  68          2HE       LYS  68 -17.845   5.360  -3.877
  528   1HZ   LYS  68          1HZ       LYS  68 -19.670   3.810  -2.140
  529   2HZ   LYS  68          2HZ       LYS  68 -20.226   4.548  -3.561
  530   3HZ   LYS  68          3HZ       LYS  68 -19.560   5.492  -2.316
  531    H    VAL  69           H        VAL  69 -13.184   6.470  -5.263
  532    HA   VAL  69           HA       VAL  69 -11.722   4.040  -4.537
  533    HB   VAL  69           HB       VAL  69 -10.517   6.062  -6.375
  534   1HG1  VAL  69          1HG1      VAL  69  -8.989   4.594  -5.218
  535   2HG1  VAL  69          2HG1      VAL  69  -9.003   4.218  -6.942
  536   3HG1  VAL  69          3HG1      VAL  69  -9.869   3.182  -5.806
  537   1HG2  VAL  69          1HG2      VAL  69 -12.513   5.214  -7.516
  538   2HG2  VAL  69          2HG2      VAL  69 -11.963   3.560  -7.244
  539   3HG2  VAL  69          3HG2      VAL  69 -11.037   4.636  -8.291
  540    H    TYR  70           H        TYR  70 -10.667   4.342  -2.795
  541    HA   TYR  70           HA       TYR  70  -9.430   6.908  -2.193
  542   1HB   TYR  70          1HB       TYR  70  -9.316   4.339  -0.637
  543   2HB   TYR  70          2HB       TYR  70  -8.586   5.844  -0.149
  544    HD1  TYR  70           HD1      TYR  70  -9.753   7.411   1.103
  545    HD2  TYR  70           HD2      TYR  70 -11.883   4.232  -0.742
  546    HE1  TYR  70           HE1      TYR  70 -11.762   8.039   2.368
  547    HE2  TYR  70           HE2      TYR  70 -13.905   4.856   0.507
  548    HH   TYR  70           HH       TYR  70 -14.419   6.058   2.690
  549    H    LEU  71           H        LEU  71  -7.646   7.154  -3.195
  550    HA   LEU  71           HA       LEU  71  -6.037   4.854  -3.935
  551   1HB   LEU  71          1HB       LEU  71  -6.202   6.405  -5.752
  552   2HB   LEU  71          2HB       LEU  71  -5.754   7.754  -4.715
  553    HG   LEU  71           HG       LEU  71  -3.532   6.616  -4.354
  554   1HD1  LEU  71          1HD1      LEU  71  -2.847   4.955  -6.041
  555   2HD1  LEU  71          2HD1      LEU  71  -4.519   4.878  -6.600
  556   3HD1  LEU  71          3HD1      LEU  71  -4.113   4.371  -4.957
  557   1HD2  LEU  71          1HD2      LEU  71  -4.179   7.400  -7.183
  558   2HD2  LEU  71          2HD2      LEU  71  -2.572   7.343  -6.450
  559   3HD2  LEU  71          3HD2      LEU  71  -3.768   8.502  -5.868
  560    H    PHE  72           H        PHE  72  -5.054   4.229  -2.241
  561    HA   PHE  72           HA       PHE  72  -3.602   6.045  -0.556
  562   1HB   PHE  72          1HB       PHE  72  -3.767   3.067  -0.666
  563   2HB   PHE  72          2HB       PHE  72  -2.803   3.925   0.517
  564    HD1  PHE  72           HD1      PHE  72  -6.120   2.858  -0.482
  565    HD2  PHE  72           HD2      PHE  72  -3.915   5.229   2.274
  566    HE1  PHE  72           HE1      PHE  72  -8.089   2.967   0.988
  567    HE2  PHE  72           HE2      PHE  72  -5.879   5.345   3.754
  568    HZ   PHE  72           HZ       PHE  72  -7.974   4.213   3.114
  569    H    GLU  73           H        GLU  73  -1.880   6.766  -1.200
  570    HA   GLU  73           HA       GLU  73  -0.347   5.408  -3.289
  571   1HB   GLU  73          1HB       GLU  73   0.484   7.803  -3.802
  572   2HB   GLU  73          2HB       GLU  73  -1.087   7.288  -4.383
  573   1HG   GLU  73          1HG       GLU  73  -2.212   8.729  -3.035
  574   2HG   GLU  73          2HG       GLU  73  -1.021   8.606  -1.738
  575    H    LEU  74           H        LEU  74   1.468   4.771  -2.702
  576    HA   LEU  74           HA       LEU  74   2.716   5.796  -0.315
  577   1HB   LEU  74          1HB       LEU  74   3.693   3.657  -2.179
  578   2HB   LEU  74          2HB       LEU  74   4.366   4.034  -0.613
  579    HG   LEU  74           HG       LEU  74   2.110   2.359  -1.341
  580   1HD1  LEU  74          1HD1      LEU  74   2.721   1.342   0.825
  581   2HD1  LEU  74          2HD1      LEU  74   3.963   2.594   0.958
  582   3HD1  LEU  74          3HD1      LEU  74   4.020   1.432  -0.366
  583   1HD2  LEU  74          1HD2      LEU  74   1.833   4.163   1.057
  584   2HD2  LEU  74          2HD2      LEU  74   0.811   2.774   0.697
  585   3HD2  LEU  74          3HD2      LEU  74   0.798   4.179  -0.377
  586    H    HIS  75           H        HIS  75   4.220   7.120  -0.379
  587    HA   HIS  75           HA       HIS  75   5.827   7.294  -2.841
  588   1HB   HIS  75          1HB       HIS  75   5.151   9.596  -0.967
  589   2HB   HIS  75          2HB       HIS  75   6.349   9.675  -2.251
  590    HD1  HIS  75           HD1      HIS  75   5.529  10.055  -4.628
  591    HD2  HIS  75           HD2      HIS  75   2.441   9.510  -1.884
  592    HE1  HIS  75           HE1      HIS  75   3.412  10.654  -5.849
  593    HE2  HIS  75           HE2      HIS  75   1.543  10.245  -4.202
  594    H    ILE  76           H        ILE  76   7.290   5.946  -2.248
  595    HA   ILE  76           HA       ILE  76   8.412   6.235   0.439
  596    HB   ILE  76           HB       ILE  76   8.082   3.743  -1.179
  597   1HG1  ILE  76          1HG1      ILE  76   6.620   4.801   1.220
  598   2HG1  ILE  76          2HG1      ILE  76   5.925   4.297  -0.339
  599   1HG2  ILE  76          1HG2      ILE  76  10.137   3.708   0.168
  600   2HG2  ILE  76          2HG2      ILE  76   8.943   2.563   0.792
  601   3HG2  ILE  76          3HG2      ILE  76   9.183   4.109   1.605
  602   1HD1  ILE  76          1HD1      ILE  76   5.515   2.711   1.472
  603   2HD1  ILE  76          2HD1      ILE  76   7.252   2.456   1.628
  604   3HD1  ILE  76          3HD1      ILE  76   6.424   2.015   0.133
  605    H    THR  77           H        THR  77  10.162   7.206   0.070
  606    HA   THR  77           HA       THR  77  11.712   6.620  -2.236
  607    HB   THR  77           HB       THR  77  12.786   8.755  -1.836
  608    HG1  THR  77           HG1      THR  77  12.616   8.949   0.422
  609   1HG2  THR  77          1HG2      THR  77  10.973  10.138  -2.497
  610   2HG2  THR  77          2HG2      THR  77   9.814   9.081  -1.692
  611   3HG2  THR  77          3HG2      THR  77  10.665   8.518  -3.136
  612    H    ASP  78           H        ASP  78  13.847   6.822  -1.921
  613    HA   ASP  78           HA       ASP  78  15.714   5.730  -1.352
  614   1HB   ASP  78          1HB       ASP  78  16.803   6.678   0.510
  615   2HB   ASP  78          2HB       ASP  78  16.029   7.879  -0.472
  616    H    ALA  79           H        ALA  79  14.849   3.873  -1.394
  617    HA   ALA  79           HA       ALA  79  13.958   2.382   0.847
  618   1HB   ALA  79          1HB       ALA  79  13.312   1.721  -1.390
  619   2HB   ALA  79          2HB       ALA  79  14.223   0.415  -0.624
  620   3HB   ALA  79          3HB       ALA  79  14.998   1.449  -1.824
  621    H    GLN  80           H        GLN  80  15.158   1.724   2.455
  622    HA   GLN  80           HA       GLN  80  17.961   1.704   2.565
  623   1HB   GLN  80          1HB       GLN  80  16.641   1.799   4.578
  624   2HB   GLN  80          2HB       GLN  80  15.837   0.288   4.184
  625   1HG   GLN  80          1HG       GLN  80  17.312  -0.623   5.576
  626   2HG   GLN  80          2HG       GLN  80  18.429  -0.488   4.216
  627   1HE2  GLN  80          1HE2      GLN  80  20.026   1.099   4.263
  628   2HE2  GLN  80          2HE2      GLN  80  20.423   1.974   5.695
  629    HA   PRO  81           HA       PRO  81  18.994  -1.916   0.199
  630   1HB   PRO  81          1HB       PRO  81  21.247  -2.664   1.636
  631   2HB   PRO  81          2HB       PRO  81  21.219  -1.462   0.345
  632   1HG   PRO  81          1HG       PRO  81  21.131  -1.067   3.306
  633   2HG   PRO  81          2HG       PRO  81  22.004  -0.135   2.075
  634   1HD   PRO  81          1HD       PRO  81  19.740   0.785   3.146
  635   2HD   PRO  81          2HD       PRO  81  20.099   1.024   1.424
  636    H    ALA  82           H        ALA  82  18.246  -2.017   3.531
  637    HA   ALA  82           HA       ALA  82  18.167  -4.954   3.494
  638   1HB   ALA  82          1HB       ALA  82  19.514  -3.938   5.281
  639   2HB   ALA  82          2HB       ALA  82  18.153  -4.865   5.912
  640   3HB   ALA  82          3HB       ALA  82  18.078  -3.102   5.870
  641    H    PHE  83           H        PHE  83  16.133  -2.965   2.359
  642    HA   PHE  83           HA       PHE  83  13.915  -3.328   4.180
  643   1HB   PHE  83          1HB       PHE  83  14.502  -1.634   1.855
  644   2HB   PHE  83          2HB       PHE  83  12.844  -2.171   1.981
  645    HD1  PHE  83           HD1      PHE  83  13.866  -2.059   5.215
  646    HD2  PHE  83           HD2      PHE  83  12.989   0.641   2.040
  647    HE1  PHE  83           HE1      PHE  83  13.426  -0.272   6.845
  648    HE2  PHE  83           HE2      PHE  83  12.557   2.421   3.661
  649    HZ   PHE  83           HZ       PHE  83  12.714   2.114   5.882
  650    H    THR  84           H        THR  84  14.890  -4.461   0.985
  651    HA   THR  84           HA       THR  84  13.460  -5.181  -0.705
  652    HB   THR  84           HB       THR  84  13.837  -7.418   1.226
  653    HG1  THR  84           HG1      THR  84  15.861  -7.126   0.699
  654   1HG2  THR  84          1HG2      THR  84  13.250  -7.396  -1.744
  655   2HG2  THR  84          2HG2      THR  84  12.222  -8.065  -0.470
  656   3HG2  THR  84          3HG2      THR  84  13.761  -8.838  -0.853
  657    H    GLY  85           H        GLY  85  11.616  -4.109  -0.604
  658   1HA   GLY  85          1HA       GLY  85  10.015  -4.073   1.677
  659   2HA   GLY  85          2HA       GLY  85   9.710  -3.220   0.192
  660    H    GLY  86           H        GLY  86   9.086  -5.887   2.061
  661   1HA   GLY  86          1HA       GLY  86   7.119  -6.970   0.237
  662   2HA   GLY  86          2HA       GLY  86   7.451  -7.532   1.864
  663    H    TYR  87           H        TYR  87   6.326  -4.746   0.167
  664    HA   TYR  87           HA       TYR  87   4.709  -3.784   2.327
  665   1HB   TYR  87          1HB       TYR  87   4.929  -2.992  -0.588
  666   2HB   TYR  87          2HB       TYR  87   3.947  -2.144   0.604
  667    HD1  TYR  87           HD1      TYR  87   7.446  -3.065  -0.273
  668    HD2  TYR  87           HD2      TYR  87   4.910  -0.579   2.070
  669    HE1  TYR  87           HE1      TYR  87   9.380  -1.677   0.342
  670    HE2  TYR  87           HE2      TYR  87   6.842   0.792   2.704
  671    HH   TYR  87           HH       TYR  87   9.824   0.634   1.146
  672    H    ARG  88           H        ARG  88   2.635  -4.318   2.680
  673    HA   ARG  88           HA       ARG  88   1.252  -5.938   0.651
  674   1HB   ARG  88          1HB       ARG  88   1.456  -6.360   3.623
  675   2HB   ARG  88          2HB       ARG  88   0.153  -7.063   2.678
  676   1HG   ARG  88          1HG       ARG  88   1.617  -8.426   1.462
  677   2HG   ARG  88          2HG       ARG  88   3.031  -7.507   1.969
  678   1HD   ARG  88          1HD       ARG  88   2.726  -9.743   3.077
  679   2HD   ARG  88          2HD       ARG  88   2.917  -8.373   4.170
  680    HE   ARG  88           HE       ARG  88   0.455  -8.453   4.460
  681   1HH1  ARG  88          1HH1      ARG  88   2.068 -11.308   3.213
  682   2HH1  ARG  88          2HH1      ARG  88   0.904 -12.406   3.892
  683   1HH2  ARG  88          1HH2      ARG  88  -1.048  -9.872   5.358
  684   2HH2  ARG  88          2HH2      ARG  88  -0.841 -11.595   5.161
  685    H    CYS  89           H        CYS  89  -1.038  -5.840   0.701
  686    HA   CYS  89           HA       CYS  89  -2.157  -3.521   2.143
  687   1HB   CYS  89          1HB       CYS  89  -2.741  -4.376  -0.704
  688   2HB   CYS  89          2HB       CYS  89  -3.599  -3.117   0.161
  689    HG   CYS  89           HG       CYS  89  -0.541  -2.260   0.431
  690    H    GLU  90           H        GLU  90  -3.618  -4.342   3.515
  691    HA   GLU  90           HA       GLU  90  -5.332  -6.501   2.497
  692   1HB   GLU  90          1HB       GLU  90  -4.200  -6.165   5.283
  693   2HB   GLU  90          2HB       GLU  90  -5.474  -7.306   4.880
  694   1HG   GLU  90          1HG       GLU  90  -4.043  -8.552   3.464
  695   2HG   GLU  90          2HG       GLU  90  -2.797  -7.311   3.518
  696    H    VAL  91           H        VAL  91  -7.220  -5.535   2.067
  697    HA   VAL  91           HA       VAL  91  -8.153  -3.430   3.887
  698    HB   VAL  91           HB       VAL  91  -8.036  -2.597   1.663
  699   1HG1  VAL  91          1HG1      VAL  91  -9.626  -5.015   0.829
  700   2HG1  VAL  91          2HG1      VAL  91  -7.956  -4.639   0.403
  701   3HG1  VAL  91          3HG1      VAL  91  -9.273  -3.640  -0.217
  702   1HG2  VAL  91          1HG2      VAL  91 -10.449  -2.117   1.142
  703   2HG2  VAL  91          2HG2      VAL  91  -9.963  -1.766   2.797
  704   3HG2  VAL  91          3HG2      VAL  91 -10.881  -3.228   2.441
  705    H    SER  92           H        SER  92 -10.156  -3.438   4.739
  706    HA   SER  92           HA       SER  92 -11.801  -5.840   4.368
  707   1HB   SER  92          1HB       SER  92 -10.397  -6.191   6.399
  708   2HB   SER  92          2HB       SER  92 -11.050  -4.703   7.082
  709    HG   SER  92           HG       SER  92 -12.196  -7.211   6.850
  710    H    THR  93           H        THR  93 -13.574  -5.041   3.580
  711    HA   THR  93           HA       THR  93 -14.788  -2.644   4.793
  712    HB   THR  93           HB       THR  93 -15.168  -3.241   1.933
  713    HG1  THR  93           HG1      THR  93 -12.806  -3.144   2.668
  714   1HG2  THR  93          1HG2      THR  93 -15.376  -0.829   1.754
  715   2HG2  THR  93          2HG2      THR  93 -14.938  -0.643   3.462
  716   3HG2  THR  93          3HG2      THR  93 -16.446  -1.455   3.007
  717    H    LYS  94           H        LYS  94 -17.077  -2.627   4.673
  718    HA   LYS  94           HA       LYS  94 -18.713  -3.861   5.823
  719   1HB   LYS  94          1HB       LYS  94 -20.094  -4.944   3.762
  720   2HB   LYS  94          2HB       LYS  94 -20.159  -3.268   4.255
  721   1HG   LYS  94          1HG       LYS  94 -19.972  -3.223   1.945
  722   2HG   LYS  94          2HG       LYS  94 -18.361  -2.832   2.534
  723   1HD   LYS  94          1HD       LYS  94 -18.287  -4.337   0.622
  724   2HD   LYS  94          2HD       LYS  94 -17.632  -5.102   2.065
  725   1HE   LYS  94          1HE       LYS  94 -19.177  -6.461   0.542
  726   2HE   LYS  94          2HE       LYS  94 -19.435  -6.529   2.281
  727   1HZ   LYS  94          1HZ       LYS  94 -21.349  -5.253   2.135
  728   2HZ   LYS  94          2HZ       LYS  94 -21.454  -6.244   0.765
  729   3HZ   LYS  94          3HZ       LYS  94 -20.962  -4.624   0.604
  730    H    ASP  95           H        ASP  95 -17.792  -5.947   3.162
  731    HA   ASP  95           HA       ASP  95 -17.570  -8.298   4.769
  732   1HB   ASP  95          1HB       ASP  95 -20.040  -7.660   3.915
  733   2HB   ASP  95          2HB       ASP  95 -19.469  -8.564   2.529
  734    H    LYS  96           H        LYS  96 -16.445  -6.464   2.328
  735    HA   LYS  96           HA       LYS  96 -15.719  -8.623   0.560
  736   1HB   LYS  96          1HB       LYS  96 -16.152  -5.855  -0.060
  737   2HB   LYS  96          2HB       LYS  96 -14.454  -6.176  -0.243
  738   1HG   LYS  96          1HG       LYS  96 -16.489  -7.987  -1.451
  739   2HG   LYS  96          2HG       LYS  96 -15.962  -6.508  -2.266
  740   1HD   LYS  96          1HD       LYS  96 -13.777  -7.258  -2.492
  741   2HD   LYS  96          2HD       LYS  96 -13.943  -8.458  -1.205
  742   1HE   LYS  96          1HE       LYS  96 -13.899  -9.697  -3.195
  743   2HE   LYS  96          2HE       LYS  96 -15.605  -9.618  -2.746
  744   1HZ   LYS  96          1HZ       LYS  96 -15.895  -7.823  -4.326
  745   2HZ   LYS  96          2HZ       LYS  96 -15.288  -9.202  -5.094
  746   3HZ   LYS  96          3HZ       LYS  96 -14.257  -7.902  -4.760
  747    H    PHE  97           H        PHE  97 -13.732  -9.165   0.299
  748    HA   PHE  97           HA       PHE  97 -11.681  -7.986   2.004
  749   1HB   PHE  97          1HB       PHE  97 -12.755 -10.017   2.975
  750   2HB   PHE  97          2HB       PHE  97 -12.019 -10.946   1.678
  751    HD1  PHE  97           HD1      PHE  97 -11.147  -8.585   4.414
  752    HD2  PHE  97           HD2      PHE  97  -9.901 -11.810   1.935
  753    HE1  PHE  97           HE1      PHE  97  -9.063  -8.773   5.714
  754    HE2  PHE  97           HE2      PHE  97  -7.817 -12.008   3.234
  755    HZ   PHE  97           HZ       PHE  97  -7.398 -10.462   5.127
  756    H    ASP  98           H        ASP  98  -9.791  -7.719   1.132
  757    HA   ASP  98           HA       ASP  98  -8.904  -9.246  -1.181
  758   1HB   ASP  98          1HB       ASP  98  -9.624  -6.338  -1.343
  759   2HB   ASP  98          2HB       ASP  98  -8.302  -6.957  -2.319
  760    H    CYS  99           H        CYS  99  -6.634  -8.969  -1.628
  761    HA   CYS  99           HA       CYS  99  -5.083  -7.371   0.246
  762   1HB   CYS  99          1HB       CYS  99  -4.586 -10.337   0.028
  763   2HB   CYS  99          2HB       CYS  99  -3.763  -9.194   1.069
  764    HG   CYS  99           HG       CYS  99  -6.748  -8.803   2.006
  765    H    SER 100           H        SER 100  -3.003  -6.930  -0.407
  766    HA   SER 100           HA       SER 100  -2.060  -8.225  -2.874
  767   1HB   SER 100          1HB       SER 100  -2.815  -6.124  -3.675
  768   2HB   SER 100          2HB       SER 100  -1.996  -5.245  -2.389
  769    HG   SER 100           HG       SER 100  -0.533  -5.093  -3.941
  770    H    ASN 101           H        ASN 101   0.076  -8.279  -3.218
  771    HA   ASN 101           HA       ASN 101   1.865  -7.617  -1.005
  772   1HB   ASN 101          1HB       ASN 101   2.999  -9.898  -1.421
  773   2HB   ASN 101          2HB       ASN 101   1.546  -9.855  -0.438
  774   1HD2  ASN 101          1HD2      ASN 101   1.570  -9.648  -3.983
  775   2HD2  ASN 101          2HD2      ASN 101   0.810 -11.190  -4.226
  776    H    PHE 102           H        PHE 102   3.608  -6.545  -1.757
  777    HA   PHE 102           HA       PHE 102   4.547  -7.128  -4.443
  778   1HB   PHE 102          1HB       PHE 102   4.534  -4.629  -4.941
  779   2HB   PHE 102          2HB       PHE 102   2.998  -5.479  -5.028
  780    HD1  PHE 102           HD1      PHE 102   4.853  -2.826  -3.472
  781    HD2  PHE 102           HD2      PHE 102   1.357  -5.230  -3.172
  782    HE1  PHE 102           HE1      PHE 102   3.852  -1.180  -1.947
  783    HE2  PHE 102           HE2      PHE 102   0.350  -3.586  -1.651
  784    HZ   PHE 102           HZ       PHE 102   1.602  -1.563  -1.031
  785    H    ASN 103           H        ASN 103   6.693  -6.900  -4.620
  786    HA   ASN 103           HA       ASN 103   8.045  -6.214  -2.131
  787   1HB   ASN 103          1HB       ASN 103   9.847  -7.707  -3.365
  788   2HB   ASN 103          2HB       ASN 103   8.609  -8.377  -2.350
  789   1HD2  ASN 103          1HD2      ASN 103   9.813  -8.012  -5.518
  790   2HD2  ASN 103          2HD2      ASN 103   8.764  -9.150  -6.260
  791    H    LEU 104           H        LEU 104   9.442  -4.766  -2.052
  792    HA   LEU 104           HA       LEU 104  10.407  -3.436  -4.473
  793   1HB   LEU 104          1HB       LEU 104   9.847  -1.666  -3.189
  794   2HB   LEU 104          2HB       LEU 104   9.987  -2.555  -1.678
  795    HG   LEU 104           HG       LEU 104  12.544  -2.180  -2.817
  796   1HD1  LEU 104          1HD1      LEU 104  10.899   0.315  -2.646
  797   2HD1  LEU 104          2HD1      LEU 104  11.608  -0.390  -4.104
  798   3HD1  LEU 104          3HD1      LEU 104  12.653   0.266  -2.839
  799   1HD2  LEU 104          1HD2      LEU 104  12.649  -0.592  -0.708
  800   2HD2  LEU 104          2HD2      LEU 104  12.643  -2.346  -0.552
  801   3HD2  LEU 104          3HD2      LEU 104  11.144  -1.429  -0.317
  802    H    THR 105           H        THR 105  12.199  -4.276  -5.251
  803    HA   THR 105           HA       THR 105  14.080  -5.568  -3.449
  804    HB   THR 105           HB       THR 105  14.366  -5.358  -6.436
  805    HG1  THR 105           HG1      THR 105  12.313  -6.394  -5.366
  806   1HG2  THR 105          1HG2      THR 105  15.630  -7.457  -6.126
  807   2HG2  THR 105          2HG2      THR 105  15.365  -7.341  -4.385
  808   3HG2  THR 105          3HG2      THR 105  16.333  -6.121  -5.213
  809    H    VAL 106           H        VAL 106  15.110  -3.973  -2.427
  810    HA   VAL 106           HA       VAL 106  16.164  -1.700  -3.743
  811    HB   VAL 106           HB       VAL 106  15.495  -1.392  -1.434
  812   1HG1  VAL 106          1HG1      VAL 106  15.603  -3.565  -0.593
  813   2HG1  VAL 106          2HG1      VAL 106  16.665  -2.558   0.395
  814   3HG1  VAL 106          3HG1      VAL 106  17.354  -3.641  -0.818
  815   1HG2  VAL 106          1HG2      VAL 106  17.315  -0.007  -2.129
  816   2HG2  VAL 106          2HG2      VAL 106  18.471  -1.304  -1.783
  817   3HG2  VAL 106          3HG2      VAL 106  17.600  -0.529  -0.461
  818    H    HIS 107           H        HIS 107  17.772  -1.806  -4.871
  819    HA   HIS 107           HA       HIS 107  19.601  -4.020  -4.830
  820   1HB   HIS 107          1HB       HIS 107  19.290  -1.697  -6.733
  821   2HB   HIS 107          2HB       HIS 107  20.579  -2.889  -6.875
  822    HD1  HIS 107           HD1      HIS 107  19.456  -5.500  -6.756
  823    HD2  HIS 107           HD2      HIS 107  17.217  -2.368  -8.334
  824    HE1  HIS 107           HE1      HIS 107  17.638  -6.573  -8.109
  825    HE2  HIS 107           HE2      HIS 107  16.313  -4.680  -9.085
  826    H    GLU 108           H        GLU 108  20.743  -3.795  -3.106
  827    HA   GLU 108           HA       GLU 108  22.271  -1.506  -2.410
  828   1HB   GLU 108          1HB       GLU 108  21.652  -3.319  -0.818
  829   2HB   GLU 108          2HB       GLU 108  22.714  -4.414  -1.682
  830   1HG   GLU 108          1HG       GLU 108  23.815  -1.892  -0.543
  831   2HG   GLU 108          2HG       GLU 108  23.495  -3.266   0.513
  832    H    ALA 109           H        ALA 109  24.066  -0.781  -3.299
  833    HA   ALA 109           HA       ALA 109  26.084  -2.445  -4.422
  834   1HB   ALA 109          1HB       ALA 109  25.955  -1.682  -6.736
  835   2HB   ALA 109          2HB       ALA 109  24.495  -0.763  -6.366
  836   3HB   ALA 109          3HB       ALA 109  24.474  -2.525  -6.281
  837    H    MET 110           H        MET 110  24.646   0.702  -3.961
  838    HA   MET 110           HA       MET 110  27.315   1.927  -3.980
  839   1HB   MET 110          1HB       MET 110  24.628   3.293  -4.277
  840   2HB   MET 110          2HB       MET 110  26.206   4.065  -4.392
  841   1HG   MET 110          1HG       MET 110  25.094   1.997  -6.278
  842   2HG   MET 110          2HG       MET 110  25.235   3.724  -6.589
  843   1HE   MET 110          1HE       MET 110  28.120   4.329  -5.273
  844   2HE   MET 110          2HE       MET 110  27.511   4.995  -6.788
  845   3HE   MET 110          3HE       MET 110  29.100   4.229  -6.737
  Start of MODEL    6
    1    H    ASP   1           H        ASP   1 -19.177 -11.010   1.435
    2    HA   ASP   1           HA       ASP   1 -17.818  -9.513   0.224
    3   1HB   ASP   1          1HB       ASP   1 -17.118 -11.834  -1.589
    4   2HB   ASP   1          2HB       ASP   1 -16.502 -10.186  -1.658
    5    H    ASP   2           H        ASP   2 -19.297  -8.350  -0.446
    6    HA   ASP   2           HA       ASP   2 -21.304  -9.203  -2.336
    7   1HB   ASP   2          1HB       ASP   2 -20.693  -6.723  -0.756
    8   2HB   ASP   2          2HB       ASP   2 -22.090  -6.883  -1.801
    9    HA   PRO   3           HA       PRO   3 -19.348  -7.280  -5.855
   10   1HB   PRO   3          1HB       PRO   3 -21.410  -5.743  -6.873
   11   2HB   PRO   3          2HB       PRO   3 -21.180  -7.465  -7.187
   12   1HG   PRO   3          1HG       PRO   3 -23.004  -6.119  -5.248
   13   2HG   PRO   3          2HG       PRO   3 -23.282  -7.566  -6.234
   14   1HD   PRO   3          1HD       PRO   3 -22.716  -7.705  -3.603
   15   2HD   PRO   3          2HD       PRO   3 -22.162  -8.939  -4.755
   16    H    ILE   4           H        ILE   4 -17.926  -6.027  -4.646
   17    HA   ILE   4           HA       ILE   4 -18.577  -3.151  -4.501
   18    HB   ILE   4           HB       ILE   4 -16.902  -4.892  -2.726
   19   1HG1  ILE   4          1HG1      ILE   4 -17.913  -3.333  -1.000
   20   2HG1  ILE   4          2HG1      ILE   4 -18.872  -2.649  -2.305
   21   1HG2  ILE   4          1HG2      ILE   4 -15.299  -3.222  -3.471
   22   2HG2  ILE   4          2HG2      ILE   4 -15.758  -2.924  -1.797
   23   3HG2  ILE   4          3HG2      ILE   4 -16.433  -1.926  -3.084
   24   1HD1  ILE   4          1HD1      ILE   4 -20.121  -4.286  -1.043
   25   2HD1  ILE   4          2HD1      ILE   4 -18.896  -5.507  -1.404
   26   3HD1  ILE   4          3HD1      ILE   4 -19.876  -4.823  -2.707
   27    H    GLY   5           H        GLY   5 -15.718  -5.243  -4.652
   28   1HA   GLY   5          1HA       GLY   5 -14.142  -5.300  -6.446
   29   2HA   GLY   5          2HA       GLY   5 -14.832  -3.790  -7.039
   30    H    LEU   6           H        LEU   6 -13.874  -4.799  -3.885
   31    HA   LEU   6           HA       LEU   6 -13.102  -2.352  -2.905
   32   1HB   LEU   6          1HB       LEU   6 -13.509  -4.784  -1.891
   33   2HB   LEU   6          2HB       LEU   6 -11.757  -4.826  -1.953
   34    HG   LEU   6           HG       LEU   6 -11.628  -2.902  -0.494
   35   1HD1  LEU   6          1HD1      LEU   6 -14.614  -2.979  -0.260
   36   2HD1  LEU   6          2HD1      LEU   6 -13.756  -1.845  -1.305
   37   3HD1  LEU   6          3HD1      LEU   6 -13.493  -1.806   0.437
   38   1HD2  LEU   6          1HD2      LEU   6 -13.505  -5.009   0.512
   39   2HD2  LEU   6          2HD2      LEU   6 -12.507  -3.944   1.504
   40   3HD2  LEU   6          3HD2      LEU   6 -11.745  -5.128   0.444
   41    H    PHE   7           H        PHE   7 -11.228  -4.874  -4.453
   42    HA   PHE   7           HA       PHE   7  -8.864  -3.195  -4.357
   43   1HB   PHE   7          1HB       PHE   7  -9.322  -5.979  -4.280
   44   2HB   PHE   7          2HB       PHE   7  -8.407  -5.635  -5.744
   45    HD1  PHE   7           HD1      PHE   7  -8.436  -4.927  -2.088
   46    HD2  PHE   7           HD2      PHE   7  -6.129  -5.352  -5.635
   47    HE1  PHE   7           HE1      PHE   7  -6.372  -4.741  -0.764
   48    HE2  PHE   7           HE2      PHE   7  -4.073  -5.156  -4.322
   49    HZ   PHE   7           HZ       PHE   7  -4.180  -4.861  -1.889
   50    H    VAL   8           H        VAL   8  -9.615  -1.644  -5.725
   51    HA   VAL   8           HA       VAL   8 -10.517  -2.180  -8.376
   52    HB   VAL   8           HB       VAL   8  -9.365   0.427  -7.373
   53   1HG1  VAL   8          1HG1      VAL   8 -10.842   1.441  -9.001
   54   2HG1  VAL   8          2HG1      VAL   8 -11.482  -0.143  -9.443
   55   3HG1  VAL   8          3HG1      VAL   8  -9.799   0.257  -9.787
   56   1HG2  VAL   8          1HG2      VAL   8 -11.019  -0.339  -5.749
   57   2HG2  VAL   8          2HG2      VAL   8 -12.189  -0.588  -7.045
   58   3HG2  VAL   8          3HG2      VAL   8 -11.631   1.040  -6.664
   59    H    MET   9           H        MET   9  -7.513  -0.936  -6.987
   60    HA   MET   9           HA       MET   9  -6.038  -2.172  -9.186
   61   1HB   MET   9          1HB       MET   9  -6.330   0.217  -9.798
   62   2HB   MET   9          2HB       MET   9  -5.549   0.663  -8.289
   63   1HG   MET   9          1HG       MET   9  -3.525  -0.550  -9.035
   64   2HG   MET   9          2HG       MET   9  -4.309  -0.817 -10.589
   65   1HE   MET   9          1HE       MET   9  -1.475   0.539 -10.231
   66   2HE   MET   9          2HE       MET   9  -1.566   1.928 -11.313
   67   3HE   MET   9          3HE       MET   9  -2.201   0.363 -11.826
   68    H    ARG  10           H        ARG  10  -4.154  -3.057  -8.527
   69    HA   ARG  10           HA       ARG  10  -3.468  -2.707  -5.698
   70   1HB   ARG  10          1HB       ARG  10  -2.255  -4.997  -6.136
   71   2HB   ARG  10          2HB       ARG  10  -3.957  -4.931  -5.732
   72   1HG   ARG  10          1HG       ARG  10  -3.093  -4.998  -8.592
   73   2HG   ARG  10          2HG       ARG  10  -3.163  -6.479  -7.635
   74   1HD   ARG  10          1HD       ARG  10  -5.548  -5.619  -7.005
   75   2HD   ARG  10          2HD       ARG  10  -5.378  -4.651  -8.465
   76    HE   ARG  10           HE       ARG  10  -4.943  -6.875  -9.605
   77   1HH1  ARG  10          1HH1      ARG  10  -6.985  -6.488  -6.794
   78   2HH1  ARG  10          2HH1      ARG  10  -7.928  -7.913  -7.096
   79   1HH2  ARG  10          1HH2      ARG  10  -6.171  -8.780 -10.029
   80   2HH2  ARG  10          2HH2      ARG  10  -7.464  -9.207  -8.949
   81    HA   PRO  11           HA       PRO  11   0.393  -1.110  -7.033
   82   1HB   PRO  11          1HB       PRO  11   1.642  -1.570  -4.547
   83   2HB   PRO  11          2HB       PRO  11   0.883  -0.079  -5.091
   84   1HG   PRO  11          1HG       PRO  11  -0.013  -1.884  -3.086
   85   2HG   PRO  11          2HG       PRO  11  -0.776  -0.384  -3.623
   86   1HD   PRO  11          1HD       PRO  11  -1.543  -3.122  -4.165
   87   2HD   PRO  11          2HD       PRO  11  -2.417  -1.624  -4.532
   88    H    GLN  12           H        GLN  12   2.553  -1.833  -7.380
   89    HA   GLN  12           HA       GLN  12   2.783  -4.754  -7.254
   90   1HB   GLN  12          1HB       GLN  12   3.698  -2.872  -9.433
   91   2HB   GLN  12          2HB       GLN  12   3.845  -4.623  -9.443
   92   1HG   GLN  12          1HG       GLN  12   1.212  -3.226  -9.201
   93   2HG   GLN  12          2HG       GLN  12   1.925  -3.636 -10.762
   94   1HE2  GLN  12          1HE2      GLN  12   0.637  -4.963  -7.752
   95   2HE2  GLN  12          2HE2      GLN  12   0.292  -6.533  -8.394
   96    H    ASP  13           H        ASP  13   5.268  -5.272  -7.854
   97    HA   ASP  13           HA       ASP  13   6.696  -4.523  -5.622
   98   1HB   ASP  13          1HB       ASP  13   8.430  -5.875  -6.803
   99   2HB   ASP  13          2HB       ASP  13   6.901  -6.690  -6.625
  100    H    GLY  14           H        GLY  14   9.100  -4.642  -7.313
  101   1HA   GLY  14          1HA       GLY  14   9.802  -2.678  -8.908
  102   2HA   GLY  14          2HA       GLY  14   9.491  -1.757  -7.450
  103    H    GLU  15           H        GLU  15  11.828  -2.676  -9.123
  104    HA   GLU  15           HA       GLU  15  13.558  -3.400  -6.864
  105   1HB   GLU  15          1HB       GLU  15  14.081  -3.837  -9.816
  106   2HB   GLU  15          2HB       GLU  15  15.174  -4.264  -8.509
  107   1HG   GLU  15          1HG       GLU  15  13.268  -5.753  -7.666
  108   2HG   GLU  15          2HG       GLU  15  12.571  -5.524  -9.269
  109    H    VAL  16           H        VAL  16  14.687  -1.695  -6.155
  110    HA   VAL  16           HA       VAL  16  15.224   0.459  -7.982
  111    HB   VAL  16           HB       VAL  16  14.441   2.040  -6.476
  112   1HG1  VAL  16          1HG1      VAL  16  12.484  -0.221  -6.308
  113   2HG1  VAL  16          2HG1      VAL  16  12.605   0.970  -7.603
  114   3HG1  VAL  16          3HG1      VAL  16  12.113   1.472  -5.988
  115   1HG2  VAL  16          1HG2      VAL  16  13.707   1.549  -4.156
  116   2HG2  VAL  16          2HG2      VAL  16  15.426   1.257  -4.430
  117   3HG2  VAL  16          3HG2      VAL  16  14.300  -0.100  -4.370
  118    H    THR  17           H        THR  17  16.830   1.791  -7.050
  119    HA   THR  17           HA       THR  17  18.924   0.259  -5.753
  120    HB   THR  17           HB       THR  17  19.529   2.997  -6.580
  121    HG1  THR  17           HG1      THR  17  19.527   1.766  -8.890
  122   1HG2  THR  17          1HG2      THR  17  20.703   0.308  -7.262
  123   2HG2  THR  17          2HG2      THR  17  21.260   1.400  -5.996
  124   3HG2  THR  17          3HG2      THR  17  21.419   1.861  -7.692
  125    H    VAL  18           H        VAL  18  19.974   1.104  -3.884
  126    HA   VAL  18           HA       VAL  18  18.446   2.634  -2.091
  127    HB   VAL  18           HB       VAL  18  21.388   2.542  -1.907
  128   1HG1  VAL  18          1HG1      VAL  18  20.971   2.526   0.487
  129   2HG1  VAL  18          2HG1      VAL  18  19.236   2.489   0.171
  130   3HG1  VAL  18          3HG1      VAL  18  20.191   3.892  -0.311
  131   1HG2  VAL  18          1HG2      VAL  18  19.632   0.313  -0.938
  132   2HG2  VAL  18          2HG2      VAL  18  21.395   0.389  -0.877
  133   3HG2  VAL  18          3HG2      VAL  18  20.571   0.237  -2.431
  134    H    GLY  19           H        GLY  19  17.957   4.405  -2.681
  135   1HA   GLY  19          1HA       GLY  19  18.714   6.757  -2.315
  136   2HA   GLY  19          2HA       GLY  19  19.975   6.383  -3.483
  137    H    GLY  20           H        GLY  20  17.059   4.824  -4.353
  138   1HA   GLY  20          1HA       GLY  20  16.427   7.087  -6.090
  139   2HA   GLY  20          2HA       GLY  20  15.950   5.425  -6.345
  140    H    SER  21           H        SER  21  14.009   5.310  -6.157
  141    HA   SER  21           HA       SER  21  12.661   5.929  -3.764
  142   1HB   SER  21          1HB       SER  21  10.808   6.941  -5.150
  143   2HB   SER  21          2HB       SER  21  12.218   7.928  -4.867
  144    HG   SER  21           HG       SER  21  11.659   8.052  -7.044
  145    H    ILE  22           H        ILE  22  10.459   5.119  -3.938
  146    HA   ILE  22           HA       ILE  22   9.811   3.385  -6.066
  147    HB   ILE  22           HB       ILE  22  10.817   1.951  -4.339
  148   1HG1  ILE  22          1HG1      ILE  22   9.019   0.287  -4.386
  149   2HG1  ILE  22          2HG1      ILE  22   7.915   1.517  -4.964
  150   1HG2  ILE  22          1HG2      ILE  22   8.411   2.708  -2.731
  151   2HG2  ILE  22          2HG2      ILE  22  10.097   3.016  -2.312
  152   3HG2  ILE  22          3HG2      ILE  22   9.487   1.361  -2.362
  153   1HD1  ILE  22          1HD1      ILE  22   8.677   0.112  -6.778
  154   2HD1  ILE  22          2HD1      ILE  22  10.357   0.492  -6.399
  155   3HD1  ILE  22          3HD1      ILE  22   9.277   1.758  -6.984
  156    H    THR  23           H        THR  23   7.704   3.019  -6.110
  157    HA   THR  23           HA       THR  23   5.982   4.842  -4.623
  158    HB   THR  23           HB       THR  23   5.913   4.825  -7.627
  159    HG1  THR  23           HG1      THR  23   7.625   6.103  -6.033
  160   1HG2  THR  23          1HG2      THR  23   3.780   5.318  -6.584
  161   2HG2  THR  23          2HG2      THR  23   4.445   6.783  -7.311
  162   3HG2  THR  23          3HG2      THR  23   4.536   6.543  -5.563
  163    H    PHE  24           H        PHE  24   4.303   3.852  -4.042
  164    HA   PHE  24           HA       PHE  24   3.235   1.642  -5.661
  165   1HB   PHE  24          1HB       PHE  24   3.047   1.957  -2.666
  166   2HB   PHE  24          2HB       PHE  24   2.476   0.608  -3.617
  167    HD1  PHE  24           HD1      PHE  24   4.504  -0.291  -5.261
  168    HD2  PHE  24           HD2      PHE  24   4.909   1.478  -1.417
  169    HE1  PHE  24           HE1      PHE  24   6.678  -1.407  -4.985
  170    HE2  PHE  24           HE2      PHE  24   7.089   0.370  -1.135
  171    HZ   PHE  24           HZ       PHE  24   7.937  -1.137  -2.880
  172    H    SER  25           H        SER  25   1.075   1.590  -5.870
  173    HA   SER  25           HA       SER  25  -0.555   3.720  -4.774
  174   1HB   SER  25          1HB       SER  25  -1.241   3.084  -7.523
  175   2HB   SER  25          2HB       SER  25  -1.056   4.646  -6.746
  176    HG   SER  25           HG       SER  25   1.150   4.557  -7.102
  177    H    ALA  26           H        ALA  26  -2.207   2.913  -3.898
  178    HA   ALA  26           HA       ALA  26  -3.322   0.334  -4.782
  179   1HB   ALA  26          1HB       ALA  26  -3.865  -0.134  -2.441
  180   2HB   ALA  26          2HB       ALA  26  -3.166   1.417  -1.967
  181   3HB   ALA  26          3HB       ALA  26  -2.137   0.168  -2.623
  182    H    ARG  27           H        ARG  27  -5.291   0.571  -5.623
  183    HA   ARG  27           HA       ARG  27  -6.906   2.896  -4.807
  184   1HB   ARG  27          1HB       ARG  27  -7.065   1.143  -7.267
  185   2HB   ARG  27          2HB       ARG  27  -8.196   2.435  -6.896
  186   1HG   ARG  27          1HG       ARG  27  -6.381   4.065  -7.016
  187   2HG   ARG  27          2HG       ARG  27  -5.246   2.765  -7.396
  188   1HD   ARG  27          1HD       ARG  27  -6.470   2.245  -9.425
  189   2HD   ARG  27          2HD       ARG  27  -7.686   3.459  -9.035
  190    HE   ARG  27           HE       ARG  27  -5.351   4.868  -9.113
  191   1HH1  ARG  27          1HH1      ARG  27  -7.031   2.769 -11.357
  192   2HH1  ARG  27          2HH1      ARG  27  -6.409   3.566 -12.769
  193   1HH2  ARG  27          1HH2      ARG  27  -4.537   5.915 -10.968
  194   2HH2  ARG  27          2HH2      ARG  27  -4.964   5.331 -12.552
  195    H    VAL  28           H        VAL  28  -8.639   2.540  -3.531
  196    HA   VAL  28           HA       VAL  28  -9.793  -0.135  -3.492
  197    HB   VAL  28           HB       VAL  28  -9.583   1.676  -1.099
  198   1HG1  VAL  28          1HG1      VAL  28 -10.402  -0.195   0.154
  199   2HG1  VAL  28          2HG1      VAL  28 -10.304  -1.248  -1.255
  200   3HG1  VAL  28          3HG1      VAL  28 -11.500   0.049  -1.212
  201   1HG2  VAL  28          1HG2      VAL  28  -7.894  -0.677  -1.919
  202   2HG2  VAL  28          2HG2      VAL  28  -7.893   0.024  -0.305
  203   3HG2  VAL  28          3HG2      VAL  28  -7.367   0.991  -1.685
  204    H    ALA  29           H        ALA  29 -11.758  -0.206  -3.825
  205    HA   ALA  29           HA       ALA  29 -13.430   1.928  -4.480
  206   1HB   ALA  29          1HB       ALA  29 -15.192   0.246  -4.628
  207   2HB   ALA  29          2HB       ALA  29 -14.140  -0.921  -3.821
  208   3HB   ALA  29          3HB       ALA  29 -13.711  -0.305  -5.417
  209    H    GLY  30           H        GLY  30 -13.999   3.343  -3.040
  210   1HA   GLY  30          1HA       GLY  30 -14.522   3.141  -0.350
  211   2HA   GLY  30          2HA       GLY  30 -15.370   4.246  -1.419
  212    H    ALA  31           H        ALA  31 -16.668   2.339  -3.017
  213    HA   ALA  31           HA       ALA  31 -18.630   1.230  -3.205
  214   1HB   ALA  31          1HB       ALA  31 -19.028  -0.514  -1.349
  215   2HB   ALA  31          2HB       ALA  31 -17.438  -0.021  -0.762
  216   3HB   ALA  31          3HB       ALA  31 -17.617  -0.686  -2.392
  217    H    SER  32           H        SER  32 -20.658   0.458  -1.661
  218    HA   SER  32           HA       SER  32 -21.747   2.820  -0.466
  219   1HB   SER  32          1HB       SER  32 -22.738  -0.035  -0.193
  220   2HB   SER  32          2HB       SER  32 -23.662   1.435   0.111
  221    HG   SER  32           HG       SER  32 -22.818   0.317  -2.330
  222    H    LEU  33           H        LEU  33 -21.463  -0.376   1.083
  223    HA   LEU  33           HA       LEU  33 -20.309  -1.104   2.878
  224   1HB   LEU  33          1HB       LEU  33 -18.236  -0.411   2.268
  225   2HB   LEU  33          2HB       LEU  33 -18.782   1.211   1.882
  226    HG   LEU  33           HG       LEU  33 -17.051   1.185   3.583
  227   1HD1  LEU  33          1HD1      LEU  33 -18.642   2.969   3.617
  228   2HD1  LEU  33          2HD1      LEU  33 -18.085   2.554   5.237
  229   3HD1  LEU  33          3HD1      LEU  33 -19.677   2.027   4.689
  230   1HD2  LEU  33          1HD2      LEU  33 -18.940  -0.439   5.221
  231   2HD2  LEU  33          2HD2      LEU  33 -17.303   0.064   5.654
  232   3HD2  LEU  33          3HD2      LEU  33 -17.559  -1.086   4.343
  233    H    LEU  34           H        LEU  34 -20.207  -0.970   5.187
  234    HA   LEU  34           HA       LEU  34 -22.074   0.801   6.465
  235   1HB   LEU  34          1HB       LEU  34 -21.702  -1.567   7.172
  236   2HB   LEU  34          2HB       LEU  34 -20.113  -1.083   7.744
  237    HG   LEU  34           HG       LEU  34 -21.330   0.630   9.180
  238   1HD1  LEU  34          1HD1      LEU  34 -23.482   0.581   8.121
  239   2HD1  LEU  34          2HD1      LEU  34 -23.637   0.031   9.788
  240   3HD1  LEU  34          3HD1      LEU  34 -23.653  -1.139   8.468
  241   1HD2  LEU  34          1HD2      LEU  34 -21.814  -1.037  10.931
  242   2HD2  LEU  34          2HD2      LEU  34 -20.270  -1.320  10.133
  243   3HD2  LEU  34          3HD2      LEU  34 -21.668  -2.315   9.724
  244    H    LYS  35           H        LYS  35 -18.623   0.142   7.289
  245    HA   LYS  35           HA       LYS  35 -18.233   3.040   7.422
  246   1HB   LYS  35          1HB       LYS  35 -16.371   2.402   9.149
  247   2HB   LYS  35          2HB       LYS  35 -18.044   2.509   9.671
  248   1HG   LYS  35          1HG       LYS  35 -17.082   0.558  10.636
  249   2HG   LYS  35          2HG       LYS  35 -18.219   0.041   9.398
  250   1HD   LYS  35          1HD       LYS  35 -16.257  -1.319   9.215
  251   2HD   LYS  35          2HD       LYS  35 -16.285  -0.222   7.823
  252   1HE   LYS  35          1HE       LYS  35 -14.049  -0.399   8.759
  253   2HE   LYS  35          2HE       LYS  35 -14.681   1.232   8.943
  254   1HZ   LYS  35          1HZ       LYS  35 -13.483   0.138  10.917
  255   2HZ   LYS  35          2HZ       LYS  35 -14.932  -0.715  11.151
  256   3HZ   LYS  35          3HZ       LYS  35 -14.924   0.980  11.213
  257    HA   PRO  36           HA       PRO  36 -15.612   3.281   4.074
  258   1HB   PRO  36          1HB       PRO  36 -13.894   4.716   6.084
  259   2HB   PRO  36          2HB       PRO  36 -14.217   5.139   4.396
  260   1HG   PRO  36          1HG       PRO  36 -15.562   6.342   6.337
  261   2HG   PRO  36          2HG       PRO  36 -16.396   5.834   4.857
  262   1HD   PRO  36          1HD       PRO  36 -16.524   4.678   7.581
  263   2HD   PRO  36          2HD       PRO  36 -17.732   4.643   6.284
  264    HA   PRO  37           HA       PRO  37 -13.329  -0.386   4.451
  265   1HB   PRO  37          1HB       PRO  37 -11.530   0.680   2.412
  266   2HB   PRO  37          2HB       PRO  37 -12.469  -0.799   2.405
  267   1HG   PRO  37          1HG       PRO  37 -13.214   1.343   0.905
  268   2HG   PRO  37          2HG       PRO  37 -14.361   0.192   1.589
  269   1HD   PRO  37          1HD       PRO  37 -13.775   2.964   2.402
  270   2HD   PRO  37          2HD       PRO  37 -15.254   2.010   2.621
  271    H    VAL  38           H        VAL  38 -11.791  -0.997   5.661
  272    HA   VAL  38           HA       VAL  38  -9.723   0.884   6.459
  273    HB   VAL  38           HB       VAL  38  -9.995  -1.762   7.717
  274   1HG1  VAL  38          1HG1      VAL  38  -8.141  -0.331   8.316
  275   2HG1  VAL  38          2HG1      VAL  38  -9.206  -0.575   9.703
  276   3HG1  VAL  38          3HG1      VAL  38  -9.263   0.939   8.803
  277   1HG2  VAL  38          1HG2      VAL  38 -11.813   0.540   8.384
  278   2HG2  VAL  38          2HG2      VAL  38 -11.639  -0.919   9.358
  279   3HG2  VAL  38          3HG2      VAL  38 -12.297  -1.020   7.724
  280    H    VAL  39           H        VAL  39  -8.313   0.686   5.071
  281    HA   VAL  39           HA       VAL  39  -7.260  -1.877   4.242
  282    HB   VAL  39           HB       VAL  39  -6.286   0.714   3.158
  283   1HG1  VAL  39          1HG1      VAL  39  -5.959  -0.639   1.111
  284   2HG1  VAL  39          2HG1      VAL  39  -6.552  -2.044   2.001
  285   3HG1  VAL  39          3HG1      VAL  39  -5.074  -1.229   2.519
  286   1HG2  VAL  39          1HG2      VAL  39  -7.995   0.846   1.480
  287   2HG2  VAL  39          2HG2      VAL  39  -8.778   0.798   3.058
  288   3HG2  VAL  39          3HG2      VAL  39  -8.735  -0.648   2.050
  289    H    LYS  40           H        LYS  40  -5.740  -2.430   5.530
  290    HA   LYS  40           HA       LYS  40  -3.919  -0.492   6.564
  291   1HB   LYS  40          1HB       LYS  40  -3.158  -2.168   8.117
  292   2HB   LYS  40          2HB       LYS  40  -4.869  -1.911   8.267
  293   1HG   LYS  40          1HG       LYS  40  -4.791  -4.175   8.391
  294   2HG   LYS  40          2HG       LYS  40  -4.976  -3.962   6.652
  295   1HD   LYS  40          1HD       LYS  40  -3.260  -5.602   7.018
  296   2HD   LYS  40          2HD       LYS  40  -2.499  -4.137   6.419
  297   1HE   LYS  40          1HE       LYS  40  -2.642  -4.864   9.346
  298   2HE   LYS  40          2HE       LYS  40  -1.298  -5.318   8.304
  299   1HZ   LYS  40          1HZ       LYS  40  -0.654  -3.353   9.412
  300   2HZ   LYS  40          2HZ       LYS  40  -2.130  -2.590   9.126
  301   3HZ   LYS  40          3HZ       LYS  40  -1.052  -2.856   7.842
  302    H    TRP  41           H        TRP  41  -2.174  -0.304   5.865
  303    HA   TRP  41           HA       TRP  41  -1.101  -1.961   3.774
  304   1HB   TRP  41          1HB       TRP  41  -0.222   0.596   5.075
  305   2HB   TRP  41          2HB       TRP  41   0.791  -0.263   3.919
  306    HD1  TRP  41           HD1      TRP  41  -2.648   1.470   4.119
  307    HE1  TRP  41           HE1      TRP  41  -3.207   2.312   1.727
  308    HE3  TRP  41           HE3      TRP  41   1.257  -0.608   1.543
  309    HZ2  TRP  41           HZ2      TRP  41  -2.184   2.040  -0.875
  310    HZ3  TRP  41           HZ3      TRP  41   1.363  -0.287  -0.895
  311    HH2  TRP  41           HH2      TRP  41  -0.337   1.027  -2.065
  312    H    PHE  42           H        PHE  42   0.813  -2.922   3.792
  313    HA   PHE  42           HA       PHE  42   2.123  -3.368   6.378
  314   1HB   PHE  42          1HB       PHE  42   0.880  -5.393   5.241
  315   2HB   PHE  42          2HB       PHE  42   2.230  -5.354   4.112
  316    HD1  PHE  42           HD1      PHE  42   4.425  -6.028   4.771
  317    HD2  PHE  42           HD2      PHE  42   1.228  -6.005   7.572
  318    HE1  PHE  42           HE1      PHE  42   5.775  -7.379   6.316
  319    HE2  PHE  42           HE2      PHE  42   2.574  -7.360   9.128
  320    HZ   PHE  42           HZ       PHE  42   4.836  -8.019   8.534
  321    H    LYS  43           H        LYS  43   4.300  -3.041   6.276
  322    HA   LYS  43           HA       LYS  43   5.188  -1.785   3.775
  323   1HB   LYS  43          1HB       LYS  43   5.253  -0.179   5.554
  324   2HB   LYS  43          2HB       LYS  43   5.907  -1.345   6.693
  325   1HG   LYS  43          1HG       LYS  43   8.045  -1.295   5.541
  326   2HG   LYS  43          2HG       LYS  43   7.404  -0.163   4.355
  327   1HD   LYS  43          1HD       LYS  43   7.105   1.525   6.012
  328   2HD   LYS  43          2HD       LYS  43   7.541   0.390   7.308
  329   1HE   LYS  43          1HE       LYS  43   9.762   0.121   6.244
  330   2HE   LYS  43          2HE       LYS  43   9.297   1.345   5.066
  331   1HZ   LYS  43          1HZ       LYS  43  10.660   2.251   6.878
  332   2HZ   LYS  43          2HZ       LYS  43   9.500   1.771   8.008
  333   3HZ   LYS  43          3HZ       LYS  43   9.122   2.961   6.859
  334    H    GLY  44           H        GLY  44   7.495  -2.189   3.308
  335   1HA   GLY  44          1HA       GLY  44   8.769  -4.154   2.639
  336   2HA   GLY  44          2HA       GLY  44   9.632  -3.196   3.812
  337    H    LYS  45           H        LYS  45  10.898  -4.999   4.279
  338    HA   LYS  45           HA       LYS  45  10.341  -7.598   4.225
  339   1HB   LYS  45          1HB       LYS  45  12.181  -7.778   6.021
  340   2HB   LYS  45          2HB       LYS  45  12.550  -6.939   4.531
  341   1HG   LYS  45          1HG       LYS  45  12.101  -4.791   5.642
  342   2HG   LYS  45          2HG       LYS  45  11.884  -5.669   7.159
  343   1HD   LYS  45          1HD       LYS  45  14.161  -6.521   7.004
  344   2HD   LYS  45          2HD       LYS  45  14.382  -5.686   5.467
  345   1HE   LYS  45          1HE       LYS  45  14.065  -3.538   6.588
  346   2HE   LYS  45          2HE       LYS  45  13.822  -4.372   8.121
  347   1HZ   LYS  45          1HZ       LYS  45  16.303  -4.543   6.505
  348   2HZ   LYS  45          2HZ       LYS  45  16.060  -5.174   8.063
  349   3HZ   LYS  45          3HZ       LYS  45  16.094  -3.494   7.818
  350    H    TRP  46           H        TRP  46   9.199  -5.610   6.971
  351    HA   TRP  46           HA       TRP  46   7.526  -7.804   7.797
  352   1HB   TRP  46          1HB       TRP  46   8.417  -7.520  10.178
  353   2HB   TRP  46          2HB       TRP  46   9.305  -8.561   9.073
  354    HD1  TRP  46           HD1      TRP  46  11.614  -7.625   8.154
  355    HE1  TRP  46           HE1      TRP  46  13.168  -5.751   8.924
  356    HE3  TRP  46           HE3      TRP  46   8.469  -5.340  11.442
  357    HZ2  TRP  46           HZ2      TRP  46  13.079  -3.569  10.772
  358    HZ3  TRP  46           HZ3      TRP  46   9.265  -3.370  12.676
  359    HH2  TRP  46           HH2      TRP  46  11.508  -2.502  12.345
  360    H    VAL  47           H        VAL  47   7.694  -4.703   7.325
  361    HA   VAL  47           HA       VAL  47   7.063  -3.679   9.876
  362    HB   VAL  47           HB       VAL  47   7.318  -1.647   7.885
  363   1HG1  VAL  47          1HG1      VAL  47   9.163  -2.442  10.116
  364   2HG1  VAL  47          2HG1      VAL  47   7.693  -1.489  10.330
  365   3HG1  VAL  47          3HG1      VAL  47   9.031  -0.844   9.377
  366   1HG2  VAL  47          1HG2      VAL  47   9.740  -2.011   7.362
  367   2HG2  VAL  47          2HG2      VAL  47   8.643  -3.109   6.531
  368   3HG2  VAL  47          3HG2      VAL  47   9.557  -3.668   7.937
  369    H    ASP  48           H        ASP  48   5.712  -1.843   9.803
  370    HA   ASP  48           HA       ASP  48   3.268  -2.176   8.254
  371   1HB   ASP  48          1HB       ASP  48   2.980  -2.607  10.693
  372   2HB   ASP  48          2HB       ASP  48   3.595  -0.989  11.029
  373    H    LEU  49           H        LEU  49   2.359  -0.168   7.548
  374    HA   LEU  49           HA       LEU  49   4.297   1.965   7.348
  375   1HB   LEU  49          1HB       LEU  49   1.618   1.588   6.020
  376   2HB   LEU  49          2HB       LEU  49   2.524   3.083   5.913
  377    HG   LEU  49           HG       LEU  49   4.407   1.555   4.935
  378   1HD1  LEU  49          1HD1      LEU  49   3.613  -0.306   3.687
  379   2HD1  LEU  49          2HD1      LEU  49   1.954  -0.014   4.206
  380   3HD1  LEU  49          3HD1      LEU  49   3.168  -0.549   5.379
  381   1HD2  LEU  49          1HD2      LEU  49   3.197   3.342   3.763
  382   2HD2  LEU  49          2HD2      LEU  49   1.926   2.178   3.365
  383   3HD2  LEU  49          3HD2      LEU  49   3.555   1.959   2.730
  384    H    SER  50           H        SER  50   1.250   1.395   8.938
  385    HA   SER  50           HA       SER  50   0.443   4.091   9.051
  386   1HB   SER  50          1HB       SER  50  -1.099   2.145   9.351
  387   2HB   SER  50          2HB       SER  50  -0.331   1.817  10.902
  388    HG   SER  50           HG       SER  50  -2.006   3.047  11.465
  389    H    SER  51           H        SER  51   2.754   2.231  10.679
  390    HA   SER  51           HA       SER  51   2.771   3.884  12.985
  391   1HB   SER  51          1HB       SER  51   3.267   1.353  12.879
  392   2HB   SER  51          2HB       SER  51   4.878   1.863  12.397
  393    HG   SER  51           HG       SER  51   3.542   2.689  14.762
  394    H    LYS  52           H        LYS  52   4.387   3.644  10.016
  395    HA   LYS  52           HA       LYS  52   6.642   5.245  10.909
  396   1HB   LYS  52          1HB       LYS  52   6.517   4.140   8.167
  397   2HB   LYS  52          2HB       LYS  52   7.863   4.261   9.269
  398   1HG   LYS  52          1HG       LYS  52   5.656   2.252   9.369
  399   2HG   LYS  52          2HG       LYS  52   7.320   1.963   8.877
  400   1HD   LYS  52          1HD       LYS  52   6.515   2.888  11.633
  401   2HD   LYS  52          2HD       LYS  52   6.762   1.192  11.196
  402   1HE   LYS  52          1HE       LYS  52   9.064   1.546  10.771
  403   2HE   LYS  52          2HE       LYS  52   8.877   3.303  10.787
  404   1HZ   LYS  52          1HZ       LYS  52   8.330   3.159  13.162
  405   2HZ   LYS  52          2HZ       LYS  52   9.884   2.572  12.831
  406   3HZ   LYS  52          3HZ       LYS  52   8.617   1.490  13.131
  407    H    VAL  53           H        VAL  53   4.742   4.996   8.027
  408    HA   VAL  53           HA       VAL  53   4.643   6.680   6.347
  409    HB   VAL  53           HB       VAL  53   2.385   6.534   8.317
  410   1HG1  VAL  53          1HG1      VAL  53   0.945   7.462   6.469
  411   2HG1  VAL  53          2HG1      VAL  53   2.430   8.006   5.679
  412   3HG1  VAL  53          3HG1      VAL  53   1.987   8.657   7.258
  413   1HG2  VAL  53          1HG2      VAL  53   1.389   5.194   6.545
  414   2HG2  VAL  53          2HG2      VAL  53   2.943   4.551   7.074
  415   3HG2  VAL  53          3HG2      VAL  53   2.828   5.446   5.560
  416    H    GLY  54           H        GLY  54   6.035   8.180   6.319
  417   1HA   GLY  54          1HA       GLY  54   5.299  10.798   7.264
  418   2HA   GLY  54          2HA       GLY  54   6.666  10.137   8.148
  419    H    GLN  55           H        GLN  55   8.544  10.803   7.429
  420    HA   GLN  55           HA       GLN  55   8.708  12.432   5.107
  421   1HB   GLN  55          1HB       GLN  55  10.871  11.409   6.957
  422   2HB   GLN  55          2HB       GLN  55  11.131  12.602   5.698
  423   1HG   GLN  55          1HG       GLN  55  10.953  13.732   7.795
  424   2HG   GLN  55          2HG       GLN  55   9.518  14.098   6.842
  425   1HE2  GLN  55          1HE2      GLN  55   7.519  13.480   7.598
  426   2HE2  GLN  55          2HE2      GLN  55   7.272  12.771   9.160
  427    H    HIS  56           H        HIS  56   9.788   9.166   5.837
  428    HA   HIS  56           HA       HIS  56  11.229   8.922   3.319
  429   1HB   HIS  56          1HB       HIS  56  12.324   7.867   5.108
  430   2HB   HIS  56          2HB       HIS  56  10.840   7.199   5.753
  431    HD1  HIS  56           HD1      HIS  56   9.965   5.027   4.741
  432    HD2  HIS  56           HD2      HIS  56  13.534   6.344   3.076
  433    HE1  HIS  56           HE1      HIS  56  10.720   3.165   3.249
  434    HE2  HIS  56           HE2      HIS  56  12.778   4.081   2.090
  435    H    LEU  57           H        LEU  57   8.363   7.748   4.811
  436    HA   LEU  57           HA       LEU  57   7.428   6.588   2.286
  437   1HB   LEU  57          1HB       LEU  57   8.102   4.781   3.706
  438   2HB   LEU  57          2HB       LEU  57   7.452   5.509   5.125
  439    HG   LEU  57           HG       LEU  57   6.398   3.433   3.521
  440   1HD1  LEU  57          1HD1      LEU  57   6.391   3.511   5.903
  441   2HD1  LEU  57          2HD1      LEU  57   4.735   3.363   5.312
  442   3HD1  LEU  57          3HD1      LEU  57   5.327   4.918   5.900
  443   1HD2  LEU  57          1HD2      LEU  57   4.123   4.161   3.107
  444   2HD2  LEU  57          2HD2      LEU  57   5.244   5.132   2.161
  445   3HD2  LEU  57          3HD2      LEU  57   4.521   5.797   3.622
  446    H    GLN  58           H        GLN  58   6.020   8.285   1.862
  447    HA   GLN  58           HA       GLN  58   4.055   8.952   3.837
  448   1HB   GLN  58          1HB       GLN  58   4.247   9.807   0.938
  449   2HB   GLN  58          2HB       GLN  58   3.211  10.506   2.173
  450   1HG   GLN  58          1HG       GLN  58   4.854  12.031   2.158
  451   2HG   GLN  58          2HG       GLN  58   5.522  10.954   3.360
  452   1HE2  GLN  58          1HE2      GLN  58   7.339   9.774   2.859
  453   2HE2  GLN  58          2HE2      GLN  58   8.304  10.068   1.448
  454    H    LEU  59           H        LEU  59   2.625   7.513   4.070
  455    HA   LEU  59           HA       LEU  59   1.467   6.110   1.801
  456   1HB   LEU  59          1HB       LEU  59   2.062   4.899   4.017
  457   2HB   LEU  59          2HB       LEU  59   0.753   5.798   4.737
  458    HG   LEU  59           HG       LEU  59   0.611   3.540   2.762
  459   1HD1  LEU  59          1HD1      LEU  59  -0.290   4.167   5.537
  460   2HD1  LEU  59          2HD1      LEU  59   0.632   2.774   4.928
  461   3HD1  LEU  59          3HD1      LEU  59  -1.099   2.913   4.585
  462   1HD2  LEU  59          1HD2      LEU  59  -0.858   5.256   1.865
  463   2HD2  LEU  59          2HD2      LEU  59  -1.611   5.461   3.452
  464   3HD2  LEU  59          3HD2      LEU  59  -1.796   3.937   2.580
  465    H    HIS  60           H        HIS  60   0.436   7.703   0.846
  466    HA   HIS  60           HA       HIS  60  -1.190   9.507   2.346
  467   1HB   HIS  60          1HB       HIS  60   0.581  10.380   0.809
  468   2HB   HIS  60          2HB       HIS  60  -0.326   9.718  -0.535
  469    HD1  HIS  60           HD1      HIS  60  -1.169  11.742  -1.709
  470    HD2  HIS  60           HD2      HIS  60  -1.721  11.969   2.410
  471    HE1  HIS  60           HE1      HIS  60  -2.477  13.859  -1.309
  472    HE2  HIS  60           HE2      HIS  60  -2.591  14.082   1.203
  473    H    ASP  61           H        ASP  61  -3.014  10.157   1.277
  474    HA   ASP  61           HA       ASP  61  -4.558   7.990   0.185
  475   1HB   ASP  61          1HB       ASP  61  -6.390   8.575   1.655
  476   2HB   ASP  61          2HB       ASP  61  -4.998   8.001   2.538
  477    H    SER  62           H        SER  62  -5.283   8.535  -1.489
  478    HA   SER  62           HA       SER  62  -6.351  11.189  -2.058
  479   1HB   SER  62          1HB       SER  62  -6.476   8.943  -4.019
  480   2HB   SER  62          2HB       SER  62  -6.373  10.672  -4.323
  481    HG   SER  62           HG       SER  62  -4.294   8.977  -3.392
  482    H    TYR  63           H        TYR  63  -8.561  11.361  -2.679
  483    HA   TYR  63           HA       TYR  63 -10.223   9.218  -1.739
  484   1HB   TYR  63          1HB       TYR  63  -9.699  10.096   0.308
  485   2HB   TYR  63          2HB       TYR  63  -9.748  11.760  -0.235
  486    HD1  TYR  63           HD1      TYR  63 -11.494  13.021   0.537
  487    HD2  TYR  63           HD2      TYR  63 -12.059   8.833   0.102
  488    HE1  TYR  63           HE1      TYR  63 -13.741  13.230   1.514
  489    HE2  TYR  63           HE2      TYR  63 -14.309   9.028   1.069
  490    HH   TYR  63           HH       TYR  63 -15.858  12.037   1.540
  491    H    ASP  64           H        ASP  64 -11.187   9.120  -3.565
  492    HA   ASP  64           HA       ASP  64 -12.861  11.384  -4.354
  493   1HB   ASP  64          1HB       ASP  64 -11.915   9.023  -5.907
  494   2HB   ASP  64          2HB       ASP  64 -12.949  10.273  -6.507
  495    H    ARG  65           H        ARG  65 -14.657  11.039  -3.317
  496    HA   ARG  65           HA       ARG  65 -15.601   8.469  -2.564
  497   1HB   ARG  65          1HB       ARG  65 -16.069  11.110  -1.757
  498   2HB   ARG  65          2HB       ARG  65 -17.618  10.514  -2.353
  499   1HG   ARG  65          1HG       ARG  65 -15.896   9.201  -0.275
  500   2HG   ARG  65          2HG       ARG  65 -17.394  10.090   0.015
  501   1HD   ARG  65          1HD       ARG  65 -17.394   7.838  -1.923
  502   2HD   ARG  65          2HD       ARG  65 -17.413   7.463  -0.193
  503    HE   ARG  65           HE       ARG  65 -19.467   9.061  -1.604
  504   1HH1  ARG  65          1HH1      ARG  65 -18.491   6.927   0.997
  505   2HH1  ARG  65          2HH1      ARG  65 -20.109   6.711   1.604
  506   1HH2  ARG  65          1HH2      ARG  65 -21.607   8.748  -0.826
  507   2HH2  ARG  65          2HH2      ARG  65 -21.864   7.753   0.578
  508    H    ALA  66           H        ALA  66 -16.643  10.872  -4.859
  509    HA   ALA  66           HA       ALA  66 -18.840   9.385  -5.873
  510   1HB   ALA  66          1HB       ALA  66 -18.986  11.118  -7.577
  511   2HB   ALA  66          2HB       ALA  66 -17.408  11.736  -7.086
  512   3HB   ALA  66          3HB       ALA  66 -18.774  11.825  -5.975
  513    H    SER  67           H        SER  67 -15.486   9.360  -6.451
  514    HA   SER  67           HA       SER  67 -15.779   7.959  -8.991
  515   1HB   SER  67          1HB       SER  67 -13.276   8.739  -7.469
  516   2HB   SER  67          2HB       SER  67 -13.315   8.005  -9.072
  517    HG   SER  67           HG       SER  67 -14.551   9.868  -9.737
  518    H    LYS  68           H        LYS  68 -15.580   7.558  -5.688
  519    HA   LYS  68           HA       LYS  68 -15.937   5.733  -4.401
  520   1HB   LYS  68          1HB       LYS  68 -17.273   5.044  -6.475
  521   2HB   LYS  68          2HB       LYS  68 -15.872   4.079  -6.906
  522   1HG   LYS  68          1HG       LYS  68 -17.045   2.498  -5.822
  523   2HG   LYS  68          2HG       LYS  68 -16.214   3.199  -4.437
  524   1HD   LYS  68          1HD       LYS  68 -18.944   4.080  -5.345
  525   2HD   LYS  68          2HD       LYS  68 -18.686   2.819  -4.140
  526   1HE   LYS  68          1HE       LYS  68 -17.549   4.382  -2.681
  527   2HE   LYS  68          2HE       LYS  68 -17.663   5.651  -3.914
  528   1HZ   LYS  68          1HZ       LYS  68 -20.219   5.004  -3.700
  529   2HZ   LYS  68          2HZ       LYS  68 -19.500   6.180  -2.719
  530   3HZ   LYS  68          3HZ       LYS  68 -19.722   4.601  -2.131
  531    H    VAL  69           H        VAL  69 -13.252   6.665  -5.229
  532    HA   VAL  69           HA       VAL  69 -11.818   4.178  -4.680
  533    HB   VAL  69           HB       VAL  69 -10.620   6.299  -6.413
  534   1HG1  VAL  69          1HG1      VAL  69  -9.102   4.770  -5.299
  535   2HG1  VAL  69          2HG1      VAL  69  -9.078   4.528  -7.046
  536   3HG1  VAL  69          3HG1      VAL  69  -9.948   3.394  -6.011
  537   1HG2  VAL  69          1HG2      VAL  69 -12.117   3.851  -7.351
  538   2HG2  VAL  69          2HG2      VAL  69 -11.112   4.876  -8.379
  539   3HG2  VAL  69          3HG2      VAL  69 -12.569   5.532  -7.634
  540    H    TYR  70           H        TYR  70 -10.749   4.371  -2.938
  541    HA   TYR  70           HA       TYR  70  -9.550   6.910  -2.204
  542   1HB   TYR  70          1HB       TYR  70  -9.299   4.393  -0.621
  543   2HB   TYR  70          2HB       TYR  70  -9.079   6.041  -0.071
  544    HD1  TYR  70           HD1      TYR  70 -11.097   3.405   0.448
  545    HD2  TYR  70           HD2      TYR  70 -11.414   7.469  -0.739
  546    HE1  TYR  70           HE1      TYR  70 -13.409   3.461   1.264
  547    HE2  TYR  70           HE2      TYR  70 -13.729   7.531   0.075
  548    HH   TYR  70           HH       TYR  70 -15.074   5.057   2.016
  549    H    LEU  71           H        LEU  71  -7.704   7.146  -3.181
  550    HA   LEU  71           HA       LEU  71  -6.122   4.827  -3.876
  551   1HB   LEU  71          1HB       LEU  71  -6.234   6.296  -5.741
  552   2HB   LEU  71          2HB       LEU  71  -5.884   7.701  -4.747
  553    HG   LEU  71           HG       LEU  71  -3.614   6.721  -4.293
  554   1HD1  LEU  71          1HD1      LEU  71  -2.793   5.010  -5.866
  555   2HD1  LEU  71          2HD1      LEU  71  -4.444   4.792  -6.446
  556   3HD1  LEU  71          3HD1      LEU  71  -4.038   4.413  -4.769
  557   1HD2  LEU  71          1HD2      LEU  71  -3.832   8.494  -5.904
  558   2HD2  LEU  71          2HD2      LEU  71  -4.285   7.341  -7.161
  559   3HD2  LEU  71          3HD2      LEU  71  -2.659   7.306  -6.473
  560    H    PHE  72           H        PHE  72  -5.118   4.217  -2.202
  561    HA   PHE  72           HA       PHE  72  -3.649   6.001  -0.515
  562   1HB   PHE  72          1HB       PHE  72  -3.844   3.041  -0.722
  563   2HB   PHE  72          2HB       PHE  72  -2.836   3.834   0.471
  564    HD1  PHE  72           HD1      PHE  72  -6.190   2.822  -0.445
  565    HD2  PHE  72           HD2      PHE  72  -3.900   5.198   2.248
  566    HE1  PHE  72           HE1      PHE  72  -8.124   2.966   1.066
  567    HE2  PHE  72           HE2      PHE  72  -5.833   5.348   3.765
  568    HZ   PHE  72           HZ       PHE  72  -7.947   4.231   3.171
  569    H    GLU  73           H        GLU  73  -1.896   6.739  -1.144
  570    HA   GLU  73           HA       GLU  73  -0.342   5.438  -3.249
  571   1HB   GLU  73          1HB       GLU  73   0.365   7.813  -3.860
  572   2HB   GLU  73          2HB       GLU  73  -1.250   7.292  -4.309
  573   1HG   GLU  73          1HG       GLU  73  -2.266   8.615  -2.683
  574   2HG   GLU  73          2HG       GLU  73  -0.776   8.782  -1.757
  575    H    LEU  74           H        LEU  74   1.556   4.981  -2.761
  576    HA   LEU  74           HA       LEU  74   2.690   5.942  -0.278
  577   1HB   LEU  74          1HB       LEU  74   3.714   3.807  -2.126
  578   2HB   LEU  74          2HB       LEU  74   4.358   4.182  -0.545
  579    HG   LEU  74           HG       LEU  74   2.063   2.560  -1.325
  580   1HD1  LEU  74          1HD1      LEU  74   3.903   2.659   1.009
  581   2HD1  LEU  74          2HD1      LEU  74   3.961   1.553  -0.367
  582   3HD1  LEU  74          3HD1      LEU  74   2.637   1.446   0.797
  583   1HD2  LEU  74          1HD2      LEU  74   0.814   2.966   0.764
  584   2HD2  LEU  74          2HD2      LEU  74   0.792   4.361  -0.319
  585   3HD2  LEU  74          3HD2      LEU  74   1.859   4.346   1.090
  586    H    HIS  75           H        HIS  75   4.238   7.193  -0.236
  587    HA   HIS  75           HA       HIS  75   5.891   7.572  -2.643
  588   1HB   HIS  75          1HB       HIS  75   5.599   9.550  -0.350
  589   2HB   HIS  75          2HB       HIS  75   6.523   9.781  -1.825
  590    HD1  HIS  75           HD1      HIS  75   5.370  11.814  -2.704
  591    HD2  HIS  75           HD2      HIS  75   2.704   8.760  -1.768
  592    HE1  HIS  75           HE1      HIS  75   3.124  12.598  -3.514
  593    HE2  HIS  75           HE2      HIS  75   1.499  10.803  -2.809
  594    H    ILE  76           H        ILE  76   7.282   5.963  -2.159
  595    HA   ILE  76           HA       ILE  76   8.549   6.156   0.488
  596    HB   ILE  76           HB       ILE  76   8.027   3.670  -1.090
  597   1HG1  ILE  76          1HG1      ILE  76   6.708   4.804   1.366
  598   2HG1  ILE  76          2HG1      ILE  76   5.932   4.333  -0.170
  599   1HG2  ILE  76          1HG2      ILE  76  10.136   3.598   0.219
  600   2HG2  ILE  76          2HG2      ILE  76   8.930   2.439   0.791
  601   3HG2  ILE  76          3HG2      ILE  76   9.185   3.943   1.672
  602   1HD1  ILE  76          1HD1      ILE  76   7.171   2.477   1.844
  603   2HD1  ILE  76          2HD1      ILE  76   6.462   2.000   0.301
  604   3HD1  ILE  76          3HD1      ILE  76   5.451   2.729   1.551
  605    H    THR  77           H        THR  77  10.329   7.063   0.005
  606    HA   THR  77           HA       THR  77  11.676   6.400  -2.426
  607    HB   THR  77           HB       THR  77  12.666   8.532  -2.388
  608    HG1  THR  77           HG1      THR  77  13.261   9.081  -0.406
  609   1HG2  THR  77          1HG2      THR  77   9.912   8.964  -1.309
  610   2HG2  THR  77          2HG2      THR  77  10.231   8.344  -2.936
  611   3HG2  THR  77          3HG2      THR  77  10.783   9.964  -2.477
  612    H    ASP  78           H        ASP  78  13.849   6.718  -2.302
  613    HA   ASP  78           HA       ASP  78  15.848   5.734  -1.831
  614   1HB   ASP  78          1HB       ASP  78  15.453   7.265   0.683
  615   2HB   ASP  78          2HB       ASP  78  16.952   6.833  -0.123
  616    H    ALA  79           H        ALA  79  14.715   3.816  -1.609
  617    HA   ALA  79           HA       ALA  79  13.911   2.539   0.706
  618   1HB   ALA  79          1HB       ALA  79  13.325   1.638  -1.407
  619   2HB   ALA  79          2HB       ALA  79  14.337   0.435  -0.604
  620   3HB   ALA  79          3HB       ALA  79  15.017   1.459  -1.876
  621    H    GLN  80           H        GLN  80  14.986   1.887   2.430
  622    HA   GLN  80           HA       GLN  80  17.735   1.890   2.824
  623   1HB   GLN  80          1HB       GLN  80  16.403   1.799   4.761
  624   2HB   GLN  80          2HB       GLN  80  15.434   0.470   4.148
  625   1HG   GLN  80          1HG       GLN  80  16.636  -0.710   5.623
  626   2HG   GLN  80          2HG       GLN  80  17.811  -0.749   4.312
  627   1HE2  GLN  80          1HE2      GLN  80  18.532   2.076   4.638
  628   2HE2  GLN  80          2HE2      GLN  80  19.495   2.156   6.063
  629    HA   PRO  81           HA       PRO  81  19.074  -1.295   0.158
  630   1HB   PRO  81          1HB       PRO  81  21.424  -1.955   1.443
  631   2HB   PRO  81          2HB       PRO  81  21.227  -0.556   0.382
  632   1HG   PRO  81          1HG       PRO  81  21.138  -0.695   3.371
  633   2HG   PRO  81          2HG       PRO  81  21.900   0.521   2.327
  634   1HD   PRO  81          1HD       PRO  81  19.553   0.986   3.518
  635   2HD   PRO  81          2HD       PRO  81  19.886   1.577   1.875
  636    H    ALA  82           H        ALA  82  18.535  -1.851   3.487
  637    HA   ALA  82           HA       ALA  82  18.641  -4.747   3.059
  638   1HB   ALA  82          1HB       ALA  82  18.563  -3.233   5.666
  639   2HB   ALA  82          2HB       ALA  82  20.018  -3.888   4.914
  640   3HB   ALA  82          3HB       ALA  82  18.744  -4.974   5.470
  641    H    PHE  83           H        PHE  83  16.455  -2.875   2.171
  642    HA   PHE  83           HA       PHE  83  14.319  -3.387   4.032
  643   1HB   PHE  83          1HB       PHE  83  14.716  -1.699   1.717
  644   2HB   PHE  83          2HB       PHE  83  13.195  -2.555   1.612
  645    HD1  PHE  83           HD1      PHE  83  13.192  -2.476   4.866
  646    HD2  PHE  83           HD2      PHE  83  13.303   0.438   1.748
  647    HE1  PHE  83           HE1      PHE  83  12.139  -0.838   6.346
  648    HE2  PHE  83           HE2      PHE  83  12.256   2.064   3.242
  649    HZ   PHE  83           HZ       PHE  83  11.745   1.583   5.416
  650    H    THR  84           H        THR  84  15.256  -4.629   0.841
  651    HA   THR  84           HA       THR  84  13.672  -5.407  -0.706
  652    HB   THR  84           HB       THR  84  14.396  -7.609   1.169
  653    HG1  THR  84           HG1      THR  84  16.083  -7.824  -0.590
  654   1HG2  THR  84          1HG2      THR  84  14.189  -9.039  -0.896
  655   2HG2  THR  84          2HG2      THR  84  13.480  -7.641  -1.715
  656   3HG2  THR  84          3HG2      THR  84  12.654  -8.374  -0.338
  657    H    GLY  85           H        GLY  85  11.810  -4.381  -0.316
  658   1HA   GLY  85          1HA       GLY  85  10.486  -4.832   2.183
  659   2HA   GLY  85          2HA       GLY  85  10.320  -3.419   1.156
  660    H    GLY  86           H        GLY  86   8.957  -6.038   2.230
  661   1HA   GLY  86          1HA       GLY  86   7.248  -6.432  -0.092
  662   2HA   GLY  86          2HA       GLY  86   7.346  -7.498   1.285
  663    H    TYR  87           H        TYR  87   6.238  -4.563   0.078
  664    HA   TYR  87           HA       TYR  87   4.651  -3.824   2.388
  665   1HB   TYR  87          1HB       TYR  87   4.775  -2.632  -0.402
  666   2HB   TYR  87          2HB       TYR  87   4.035  -1.907   1.019
  667    HD1  TYR  87           HD1      TYR  87   7.376  -3.198  -0.133
  668    HD2  TYR  87           HD2      TYR  87   5.249  -0.346   2.217
  669    HE1  TYR  87           HE1      TYR  87   9.476  -2.025   0.335
  670    HE2  TYR  87           HE2      TYR  87   7.363   0.802   2.716
  671    HH   TYR  87           HH       TYR  87  10.227   0.198   1.017
  672    H    ARG  88           H        ARG  88   2.421  -4.075   2.446
  673    HA   ARG  88           HA       ARG  88   1.133  -5.459   0.208
  674   1HB   ARG  88          1HB       ARG  88   1.217  -6.451   3.067
  675   2HB   ARG  88          2HB       ARG  88   0.043  -7.018   1.884
  676   1HG   ARG  88          1HG       ARG  88   1.964  -7.721   0.441
  677   2HG   ARG  88          2HG       ARG  88   3.034  -7.332   1.790
  678   1HD   ARG  88          1HD       ARG  88   0.736  -9.269   1.973
  679   2HD   ARG  88          2HD       ARG  88   2.388  -9.748   1.595
  680    HE   ARG  88           HE       ARG  88   2.963  -8.754   3.835
  681   1HH1  ARG  88          1HH1      ARG  88  -0.255  -9.961   3.160
  682   2HH1  ARG  88          2HH1      ARG  88  -0.558 -10.445   4.796
  683   1HH2  ARG  88          1HH2      ARG  88   2.563  -9.415   6.001
  684   2HH2  ARG  88          2HH2      ARG  88   1.025 -10.114   6.414
  685    H    CYS  89           H        CYS  89  -1.166  -5.288   0.206
  686    HA   CYS  89           HA       CYS  89  -2.225  -3.350   2.160
  687   1HB   CYS  89          1HB       CYS  89  -3.469  -3.691  -0.530
  688   2HB   CYS  89          2HB       CYS  89  -3.577  -2.329   0.568
  689    HG   CYS  89           HG       CYS  89  -0.531  -2.221  -0.011
  690    H    GLU  90           H        GLU  90  -3.658  -4.216   3.416
  691    HA   GLU  90           HA       GLU  90  -5.297  -6.412   2.368
  692   1HB   GLU  90          1HB       GLU  90  -4.289  -6.083   5.202
  693   2HB   GLU  90          2HB       GLU  90  -5.308  -7.390   4.614
  694   1HG   GLU  90          1HG       GLU  90  -3.464  -8.018   3.050
  695   2HG   GLU  90          2HG       GLU  90  -2.452  -6.817   3.846
  696    H    VAL  91           H        VAL  91  -7.241  -5.514   2.035
  697    HA   VAL  91           HA       VAL  91  -8.128  -3.411   3.874
  698    HB   VAL  91           HB       VAL  91  -8.094  -2.639   1.624
  699   1HG1  VAL  91          1HG1      VAL  91  -9.386  -3.691  -0.175
  700   2HG1  VAL  91          2HG1      VAL  91  -9.825  -5.000   0.924
  701   3HG1  VAL  91          3HG1      VAL  91  -8.139  -4.764   0.463
  702   1HG2  VAL  91          1HG2      VAL  91 -10.484  -2.061   1.234
  703   2HG2  VAL  91          2HG2      VAL  91  -9.951  -1.773   2.887
  704   3HG2  VAL  91          3HG2      VAL  91 -10.925  -3.194   2.511
  705    H    SER  92           H        SER  92 -10.031  -3.420   4.853
  706    HA   SER  92           HA       SER  92 -11.679  -5.846   4.695
  707   1HB   SER  92          1HB       SER  92 -10.174  -6.039   6.656
  708   2HB   SER  92          2HB       SER  92 -10.759  -4.487   7.251
  709    HG   SER  92           HG       SER  92 -12.108  -6.956   7.085
  710    H    THR  93           H        THR  93 -13.481  -5.106   3.903
  711    HA   THR  93           HA       THR  93 -14.779  -2.762   5.143
  712    HB   THR  93           HB       THR  93 -15.252  -3.330   2.299
  713    HG1  THR  93           HG1      THR  93 -12.824  -3.148   3.024
  714   1HG2  THR  93          1HG2      THR  93 -15.384  -1.068   4.209
  715   2HG2  THR  93          2HG2      THR  93 -16.510  -1.560   2.936
  716   3HG2  THR  93          3HG2      THR  93 -15.032  -0.687   2.520
  717    H    LYS  94           H        LYS  94 -17.024  -2.877   5.102
  718    HA   LYS  94           HA       LYS  94 -18.799  -4.189   5.838
  719   1HB   LYS  94          1HB       LYS  94 -19.963  -4.889   3.544
  720   2HB   LYS  94          2HB       LYS  94 -19.908  -3.246   4.145
  721   1HG   LYS  94          1HG       LYS  94 -19.352  -2.996   1.923
  722   2HG   LYS  94          2HG       LYS  94 -17.771  -3.030   2.689
  723   1HD   LYS  94          1HD       LYS  94 -18.027  -4.343   0.563
  724   2HD   LYS  94          2HD       LYS  94 -17.353  -5.210   1.940
  725   1HE   LYS  94          1HE       LYS  94 -19.002  -6.518   0.626
  726   2HE   LYS  94          2HE       LYS  94 -19.402  -6.352   2.327
  727   1HZ   LYS  94          1HZ       LYS  94 -21.063  -4.728   1.795
  728   2HZ   LYS  94          2HZ       LYS  94 -21.309  -6.116   0.842
  729   3HZ   LYS  94          3HZ       LYS  94 -20.610  -4.728   0.158
  730    H    ASP  95           H        ASP  95 -17.736  -6.048   3.074
  731    HA   ASP  95           HA       ASP  95 -17.609  -8.484   4.551
  732   1HB   ASP  95          1HB       ASP  95 -20.017  -7.838   3.704
  733   2HB   ASP  95          2HB       ASP  95 -19.411  -8.466   2.186
  734    H    LYS  96           H        LYS  96 -16.366  -6.460   2.387
  735    HA   LYS  96           HA       LYS  96 -15.515  -8.456   0.468
  736   1HB   LYS  96          1HB       LYS  96 -16.100  -5.689   0.009
  737   2HB   LYS  96          2HB       LYS  96 -14.364  -5.881  -0.104
  738   1HG   LYS  96          1HG       LYS  96 -16.250  -7.690  -1.519
  739   2HG   LYS  96          2HG       LYS  96 -15.688  -6.169  -2.219
  740   1HD   LYS  96          1HD       LYS  96 -13.536  -6.912  -2.444
  741   2HD   LYS  96          2HD       LYS  96 -13.672  -8.046  -1.094
  742   1HE   LYS  96          1HE       LYS  96 -13.598  -9.447  -2.933
  743   2HE   LYS  96          2HE       LYS  96 -15.326  -9.291  -2.622
  744   1HZ   LYS  96          1HZ       LYS  96 -15.482  -7.661  -4.361
  745   2HZ   LYS  96          2HZ       LYS  96 -14.797  -9.079  -4.975
  746   3HZ   LYS  96          3HZ       LYS  96 -13.814  -7.734  -4.646
  747    H    PHE  97           H        PHE  97 -13.625  -9.257   0.595
  748    HA   PHE  97           HA       PHE  97 -11.556  -7.881   2.163
  749   1HB   PHE  97          1HB       PHE  97 -12.819 -10.017   3.095
  750   2HB   PHE  97          2HB       PHE  97 -11.563 -10.835   2.180
  751    HD1  PHE  97           HD1      PHE  97 -12.375  -9.159   5.227
  752    HD2  PHE  97           HD2      PHE  97  -9.153 -10.189   2.646
  753    HE1  PHE  97           HE1      PHE  97 -10.787  -8.793   7.072
  754    HE2  PHE  97           HE2      PHE  97  -7.561  -9.828   4.486
  755    HZ   PHE  97           HZ       PHE  97  -8.409  -9.111   6.724
  756    H    ASP  98           H        ASP  98  -9.664  -7.789   1.325
  757    HA   ASP  98           HA       ASP  98  -8.797  -9.463  -0.884
  758   1HB   ASP  98          1HB       ASP  98  -9.768  -6.692  -1.276
  759   2HB   ASP  98          2HB       ASP  98  -8.276  -7.106  -2.089
  760    H    CYS  99           H        CYS  99  -6.561  -9.142  -1.415
  761    HA   CYS  99           HA       CYS  99  -5.023  -7.365   0.304
  762   1HB   CYS  99          1HB       CYS  99  -4.442 -10.337   0.215
  763   2HB   CYS  99          2HB       CYS  99  -3.522  -9.115   1.087
  764    HG   CYS  99           HG       CYS  99  -4.759  -9.525   3.286
  765    H    SER 100           H        SER 100  -2.917  -6.990  -0.404
  766    HA   SER 100           HA       SER 100  -2.228  -8.026  -3.079
  767   1HB   SER 100          1HB       SER 100  -1.605  -5.833  -3.838
  768   2HB   SER 100          2HB       SER 100  -3.186  -5.664  -3.097
  769    HG   SER 100           HG       SER 100  -1.980  -4.050  -2.251
  770    H    ASN 101           H        ASN 101   0.022  -8.244  -3.455
  771    HA   ASN 101           HA       ASN 101   1.774  -7.634  -1.188
  772   1HB   ASN 101          1HB       ASN 101   2.878  -9.776  -1.292
  773   2HB   ASN 101          2HB       ASN 101   1.159 -10.044  -1.067
  774   1HD2  ASN 101          1HD2      ASN 101   0.509  -9.580  -3.907
  775   2HD2  ASN 101          2HD2      ASN 101   1.073 -10.975  -4.746
  776    H    PHE 102           H        PHE 102   3.551  -6.518  -1.808
  777    HA   PHE 102           HA       PHE 102   4.596  -6.981  -4.475
  778   1HB   PHE 102          1HB       PHE 102   4.684  -4.445  -4.803
  779   2HB   PHE 102          2HB       PHE 102   3.144  -5.249  -5.050
  780    HD1  PHE 102           HD1      PHE 102   4.965  -2.797  -3.180
  781    HD2  PHE 102           HD2      PHE 102   1.361  -5.051  -3.301
  782    HE1  PHE 102           HE1      PHE 102   3.921  -1.220  -1.616
  783    HE2  PHE 102           HE2      PHE 102   0.324  -3.472  -1.727
  784    HZ   PHE 102           HZ       PHE 102   1.605  -1.561  -0.892
  785    H    ASN 103           H        ASN 103   6.744  -6.973  -4.483
  786    HA   ASN 103           HA       ASN 103   8.041  -6.331  -1.963
  787   1HB   ASN 103          1HB       ASN 103   9.012  -8.051  -4.217
  788   2HB   ASN 103          2HB       ASN 103   9.746  -7.872  -2.657
  789   1HD2  ASN 103          1HD2      ASN 103   8.727 -10.221  -4.069
  790   2HD2  ASN 103          2HD2      ASN 103   7.621 -10.963  -2.967
  791    H    LEU 104           H        LEU 104   9.621  -5.034  -1.867
  792    HA   LEU 104           HA       LEU 104  10.495  -3.631  -4.306
  793   1HB   LEU 104          1HB       LEU 104   9.864  -1.837  -3.071
  794   2HB   LEU 104          2HB       LEU 104  10.034  -2.678  -1.532
  795    HG   LEU 104           HG       LEU 104  12.569  -2.302  -2.681
  796   1HD1  LEU 104          1HD1      LEU 104  11.673  -0.615  -4.085
  797   2HD1  LEU 104          2HD1      LEU 104  12.616   0.167  -2.810
  798   3HD1  LEU 104          3HD1      LEU 104  10.852   0.142  -2.715
  799   1HD2  LEU 104          1HD2      LEU 104  11.856  -2.396  -0.219
  800   2HD2  LEU 104          2HD2      LEU 104  11.485  -0.686  -0.405
  801   3HD2  LEU 104          3HD2      LEU 104  13.133  -1.266  -0.660
  802    H    THR 105           H        THR 105  12.310  -4.401  -5.044
  803    HA   THR 105           HA       THR 105  14.222  -5.603  -3.204
  804    HB   THR 105           HB       THR 105  14.442  -5.548  -6.208
  805    HG1  THR 105           HG1      THR 105  12.418  -6.539  -5.252
  806   1HG2  THR 105          1HG2      THR 105  16.448  -6.175  -4.937
  807   2HG2  THR 105          2HG2      THR 105  15.806  -7.543  -5.849
  808   3HG2  THR 105          3HG2      THR 105  15.528  -7.432  -4.110
  809    H    VAL 106           H        VAL 106  15.258  -3.927  -2.306
  810    HA   VAL 106           HA       VAL 106  16.203  -1.710  -3.809
  811    HB   VAL 106           HB       VAL 106  15.455  -1.281  -1.555
  812   1HG1  VAL 106          1HG1      VAL 106  17.453  -3.333  -0.752
  813   2HG1  VAL 106          2HG1      VAL 106  15.701  -3.338  -0.510
  814   3HG1  VAL 106          3HG1      VAL 106  16.711  -2.191   0.374
  815   1HG2  VAL 106          1HG2      VAL 106  17.183   0.183  -2.328
  816   2HG2  VAL 106          2HG2      VAL 106  18.422  -0.988  -1.859
  817   3HG2  VAL 106          3HG2      VAL 106  17.462  -0.181  -0.620
  818    H    HIS 107           H        HIS 107  17.909  -1.717  -4.777
  819    HA   HIS 107           HA       HIS 107  19.836  -3.870  -4.556
  820   1HB   HIS 107          1HB       HIS 107  19.523  -1.699  -6.641
  821   2HB   HIS 107          2HB       HIS 107  20.770  -2.936  -6.674
  822    HD1  HIS 107           HD1      HIS 107  19.152  -2.888  -9.087
  823    HD2  HIS 107           HD2      HIS 107  17.886  -4.979  -5.712
  824    HE1  HIS 107           HE1      HIS 107  17.508  -4.606  -9.925
  825    HE2  HIS 107           HE2      HIS 107  16.748  -5.861  -7.881
  826    H    GLU 108           H        GLU 108  20.973  -3.388  -2.855
  827    HA   GLU 108           HA       GLU 108  22.194  -0.891  -2.310
  828   1HB   GLU 108          1HB       GLU 108  21.878  -2.593  -0.572
  829   2HB   GLU 108          2HB       GLU 108  22.991  -3.667  -1.408
  830   1HG   GLU 108          1HG       GLU 108  24.821  -2.140  -1.013
  831   2HG   GLU 108          2HG       GLU 108  23.720  -0.975  -0.278
  832    H    ALA 109           H        ALA 109  23.622   0.053  -3.549
  833    HA   ALA 109           HA       ALA 109  25.553  -1.609  -5.022
  834   1HB   ALA 109          1HB       ALA 109  24.089  -0.234  -6.443
  835   2HB   ALA 109          2HB       ALA 109  25.780   0.248  -6.581
  836   3HB   ALA 109          3HB       ALA 109  24.666   1.214  -5.616
  837    H    MET 110           H        MET 110  27.624  -1.485  -4.462
  838    HA   MET 110           HA       MET 110  28.402   0.591  -2.535
  839   1HB   MET 110          1HB       MET 110  28.691  -1.742  -1.786
  840   2HB   MET 110          2HB       MET 110  29.737  -2.050  -3.168
  841   1HG   MET 110          1HG       MET 110  31.344  -0.429  -2.328
  842   2HG   MET 110          2HG       MET 110  30.293  -0.087  -0.954
  843   1HE   MET 110          1HE       MET 110  29.748  -1.824   0.958
  844   2HE   MET 110          2HE       MET 110  30.349  -3.481   0.982
  845   3HE   MET 110          3HE       MET 110  29.183  -2.985  -0.245
  Start of MODEL    7
    1    H    ASP   1           H        ASP   1 -18.824 -12.548   0.032
    2    HA   ASP   1           HA       ASP   1 -17.919  -9.833   0.471
    3   1HB   ASP   1          1HB       ASP   1 -17.164 -11.350  -1.984
    4   2HB   ASP   1          2HB       ASP   1 -16.651  -9.732  -1.521
    5    H    ASP   2           H        ASP   2 -19.148  -8.337  -0.297
    6    HA   ASP   2           HA       ASP   2 -21.329  -9.111  -2.094
    7   1HB   ASP   2          1HB       ASP   2 -22.271  -8.622  -0.002
    8   2HB   ASP   2          2HB       ASP   2 -21.146  -7.315   0.303
    9    HA   PRO   3           HA       PRO   3 -19.908  -6.641  -5.382
   10   1HB   PRO   3          1HB       PRO   3 -22.125  -4.846  -5.560
   11   2HB   PRO   3          2HB       PRO   3 -21.793  -6.274  -6.540
   12   1HG   PRO   3          1HG       PRO   3 -23.539  -5.980  -4.172
   13   2HG   PRO   3          2HG       PRO   3 -23.650  -7.124  -5.520
   14   1HD   PRO   3          1HD       PRO   3 -22.860  -7.922  -3.094
   15   2HD   PRO   3          2HD       PRO   3 -22.119  -8.590  -4.563
   16    H    ILE   4           H        ILE   4 -18.204  -5.615  -4.373
   17    HA   ILE   4           HA       ILE   4 -18.604  -2.716  -4.043
   18    HB   ILE   4           HB       ILE   4 -17.084  -4.610  -2.340
   19   1HG1  ILE   4          1HG1      ILE   4 -17.600  -2.743  -0.646
   20   2HG1  ILE   4          2HG1      ILE   4 -18.590  -2.033  -1.917
   21   1HG2  ILE   4          1HG2      ILE   4 -15.237  -3.325  -3.273
   22   2HG2  ILE   4          2HG2      ILE   4 -15.504  -2.866  -1.592
   23   3HG2  ILE   4          3HG2      ILE   4 -16.070  -1.817  -2.888
   24   1HD1  ILE   4          1HD1      ILE   4 -18.920  -4.768  -0.734
   25   2HD1  ILE   4          2HD1      ILE   4 -19.930  -4.053  -1.999
   26   3HD1  ILE   4          3HD1      ILE   4 -19.912  -3.348  -0.380
   27    H    GLY   5           H        GLY   5 -16.059  -5.140  -4.529
   28   1HA   GLY   5          1HA       GLY   5 -14.530  -5.293  -6.322
   29   2HA   GLY   5          2HA       GLY   5 -15.142  -3.750  -6.919
   30    H    LEU   6           H        LEU   6 -13.705  -5.041  -4.011
   31    HA   LEU   6           HA       LEU   6 -13.043  -2.533  -2.953
   32   1HB   LEU   6          1HB       LEU   6 -13.448  -4.892  -1.903
   33   2HB   LEU   6          2HB       LEU   6 -11.726  -5.081  -2.130
   34    HG   LEU   6           HG       LEU   6 -11.265  -3.286  -0.644
   35   1HD1  LEU   6          1HD1      LEU   6 -12.865  -1.880   0.373
   36   2HD1  LEU   6          2HD1      LEU   6 -14.197  -2.847  -0.250
   37   3HD1  LEU   6          3HD1      LEU   6 -13.224  -1.876  -1.354
   38   1HD2  LEU   6          1HD2      LEU   6 -11.681  -5.436   0.339
   39   2HD2  LEU   6          2HD2      LEU   6 -13.401  -5.059   0.455
   40   3HD2  LEU   6          3HD2      LEU   6 -12.230  -4.146   1.405
   41    H    PHE   7           H        PHE   7 -11.276  -4.844  -4.859
   42    HA   PHE   7           HA       PHE   7  -8.867  -3.237  -4.627
   43   1HB   PHE   7          1HB       PHE   7  -9.351  -6.000  -4.845
   44   2HB   PHE   7          2HB       PHE   7  -8.554  -5.517  -6.342
   45    HD1  PHE   7           HD1      PHE   7  -8.021  -3.958  -3.036
   46    HD2  PHE   7           HD2      PHE   7  -6.480  -6.582  -6.006
   47    HE1  PHE   7           HE1      PHE   7  -5.857  -3.988  -1.876
   48    HE2  PHE   7           HE2      PHE   7  -4.313  -6.617  -4.856
   49    HZ   PHE   7           HZ       PHE   7  -3.998  -5.319  -2.788
   50    H    VAL   8           H        VAL   8  -9.653  -1.506  -5.789
   51    HA   VAL   8           HA       VAL   8 -10.553  -1.742  -8.495
   52    HB   VAL   8           HB       VAL   8  -9.486   0.740  -7.147
   53   1HG1  VAL   8          1HG1      VAL   8 -11.491   0.344  -9.364
   54   2HG1  VAL   8          2HG1      VAL   8  -9.843   0.943  -9.545
   55   3HG1  VAL   8          3HG1      VAL   8 -11.035   1.897  -8.660
   56   1HG2  VAL   8          1HG2      VAL   8 -12.286  -0.381  -7.023
   57   2HG2  VAL   8          2HG2      VAL   8 -11.771   1.185  -6.394
   58   3HG2  VAL   8          3HG2      VAL   8 -11.143  -0.301  -5.681
   59    H    MET   9           H        MET   9  -7.575  -0.661  -6.925
   60    HA   MET   9           HA       MET   9  -6.064  -1.594  -9.248
   61   1HB   MET   9          1HB       MET   9  -6.271   0.865  -9.455
   62   2HB   MET   9          2HB       MET   9  -5.519   1.024  -7.881
   63   1HG   MET   9          1HG       MET   9  -3.510  -0.088  -8.756
   64   2HG   MET   9          2HG       MET   9  -4.259  -0.112 -10.351
   65   1HE   MET   9          1HE       MET   9  -2.052   1.059 -11.243
   66   2HE   MET   9          2HE       MET   9  -1.366   1.217  -9.625
   67   3HE   MET   9          3HE       MET   9  -1.470   2.627 -10.679
   68    H    ARG  10           H        ARG  10  -4.358  -2.762  -8.639
   69    HA   ARG  10           HA       ARG  10  -3.819  -2.899  -5.779
   70   1HB   ARG  10          1HB       ARG  10  -2.965  -5.114  -6.139
   71   2HB   ARG  10          2HB       ARG  10  -4.564  -4.999  -6.848
   72   1HG   ARG  10          1HG       ARG  10  -3.554  -4.758  -9.070
   73   2HG   ARG  10          2HG       ARG  10  -1.950  -4.891  -8.347
   74   1HD   ARG  10          1HD       ARG  10  -2.604  -7.130  -7.472
   75   2HD   ARG  10          2HD       ARG  10  -4.111  -6.994  -8.378
   76    HE   ARG  10           HE       ARG  10  -1.982  -6.561 -10.158
   77   1HH1  ARG  10          1HH1      ARG  10  -3.361  -9.159  -8.246
   78   2HH1  ARG  10          2HH1      ARG  10  -2.795 -10.417  -9.300
   79   1HH2  ARG  10          1HH2      ARG  10  -1.262  -8.210 -11.567
   80   2HH2  ARG  10          2HH2      ARG  10  -1.604  -9.869 -11.198
   81    HA   PRO  11           HA       PRO  11   0.099  -0.978  -6.536
   82   1HB   PRO  11          1HB       PRO  11   1.153  -1.783  -4.085
   83   2HB   PRO  11          2HB       PRO  11   0.272  -0.292  -4.377
   84   1HG   PRO  11          1HG       PRO  11  -0.619  -2.773  -3.119
   85   2HG   PRO  11          2HG       PRO  11  -1.188  -1.124  -2.866
   86   1HD   PRO  11          1HD       PRO  11  -2.562  -3.043  -4.268
   87   2HD   PRO  11          2HD       PRO  11  -2.764  -1.297  -4.499
   88    H    GLN  12           H        GLN  12   2.199  -1.689  -6.965
   89    HA   GLN  12           HA       GLN  12   2.489  -4.594  -7.175
   90   1HB   GLN  12          1HB       GLN  12   3.126  -2.408  -9.139
   91   2HB   GLN  12          2HB       GLN  12   3.743  -4.047  -9.301
   92   1HG   GLN  12          1HG       GLN  12   0.826  -3.379  -9.082
   93   2HG   GLN  12          2HG       GLN  12   1.679  -3.547 -10.618
   94   1HE2  GLN  12          1HE2      GLN  12   0.647  -5.277  -7.709
   95   2HE2  GLN  12          2HE2      GLN  12   0.764  -6.854  -8.403
   96    H    ASP  13           H        ASP  13   4.977  -5.064  -7.743
   97    HA   ASP  13           HA       ASP  13   6.347  -4.393  -5.436
   98   1HB   ASP  13          1HB       ASP  13   8.058  -5.788  -6.545
   99   2HB   ASP  13          2HB       ASP  13   6.497  -6.556  -6.490
  100    H    GLY  14           H        GLY  14   8.814  -4.545  -6.849
  101   1HA   GLY  14          1HA       GLY  14   9.558  -2.598  -8.531
  102   2HA   GLY  14          2HA       GLY  14   9.301  -1.694  -7.060
  103    H    GLU  15           H        GLU  15  11.540  -2.755  -8.823
  104    HA   GLU  15           HA       GLU  15  13.335  -3.588  -6.644
  105   1HB   GLU  15          1HB       GLU  15  13.657  -4.002  -9.631
  106   2HB   GLU  15          2HB       GLU  15  14.728  -4.619  -8.376
  107   1HG   GLU  15          1HG       GLU  15  13.245  -6.238  -7.712
  108   2HG   GLU  15          2HG       GLU  15  11.843  -5.343  -8.295
  109    H    VAL  16           H        VAL  16  14.557  -1.889  -5.950
  110    HA   VAL  16           HA       VAL  16  15.177   0.234  -7.773
  111    HB   VAL  16           HB       VAL  16  14.414   1.856  -6.270
  112   1HG1  VAL  16          1HG1      VAL  16  12.610   0.816  -7.529
  113   2HG1  VAL  16          2HG1      VAL  16  12.041   1.406  -5.967
  114   3HG1  VAL  16          3HG1      VAL  16  12.341  -0.317  -6.204
  115   1HG2  VAL  16          1HG2      VAL  16  15.215   1.061  -4.170
  116   2HG2  VAL  16          2HG2      VAL  16  14.110  -0.317  -4.209
  117   3HG2  VAL  16          3HG2      VAL  16  13.475   1.314  -4.002
  118    H    THR  17           H        THR  17  16.803   1.534  -6.788
  119    HA   THR  17           HA       THR  17  18.792  -0.091  -5.414
  120    HB   THR  17           HB       THR  17  19.464   2.645  -6.338
  121    HG1  THR  17           HG1      THR  17  19.743   1.273  -8.514
  122   1HG2  THR  17          1HG2      THR  17  21.177   1.169  -5.423
  123   2HG2  THR  17          2HG2      THR  17  21.501   1.515  -7.122
  124   3HG2  THR  17          3HG2      THR  17  20.815  -0.042  -6.654
  125    H    VAL  18           H        VAL  18  19.968   0.830  -3.614
  126    HA   VAL  18           HA       VAL  18  18.387   2.257  -1.759
  127    HB   VAL  18           HB       VAL  18  21.354   2.032  -1.607
  128   1HG1  VAL  18          1HG1      VAL  18  19.251   2.289   0.516
  129   2HG1  VAL  18          2HG1      VAL  18  20.346   3.559  -0.034
  130   3HG1  VAL  18          3HG1      VAL  18  20.985   2.146   0.808
  131   1HG2  VAL  18          1HG2      VAL  18  20.444  -0.222  -1.961
  132   2HG2  VAL  18          2HG2      VAL  18  19.366   0.020  -0.581
  133   3HG2  VAL  18          3HG2      VAL  18  21.113  -0.032  -0.340
  134    H    GLY  19           H        GLY  19  17.880   4.054  -2.363
  135   1HA   GLY  19          1HA       GLY  19  18.633   6.392  -1.791
  136   2HA   GLY  19          2HA       GLY  19  19.919   6.099  -2.950
  137    H    GLY  20           H        GLY  20  17.141   4.617  -4.159
  138   1HA   GLY  20          1HA       GLY  20  16.561   6.972  -5.764
  139   2HA   GLY  20          2HA       GLY  20  16.088   5.326  -6.117
  140    H    SER  21           H        SER  21  14.161   5.156  -6.018
  141    HA   SER  21           HA       SER  21  12.638   5.827  -3.723
  142   1HB   SER  21          1HB       SER  21  10.895   6.778  -5.240
  143   2HB   SER  21          2HB       SER  21  12.310   7.768  -5.002
  144    HG   SER  21           HG       SER  21  11.664   6.160  -7.248
  145    H    ILE  22           H        ILE  22  10.486   5.037  -4.020
  146    HA   ILE  22           HA       ILE  22   9.933   3.020  -5.934
  147    HB   ILE  22           HB       ILE  22  10.931   1.759  -4.172
  148   1HG1  ILE  22          1HG1      ILE  22   9.055   0.219  -3.703
  149   2HG1  ILE  22          2HG1      ILE  22   7.962   1.420  -4.365
  150   1HG2  ILE  22          1HG2      ILE  22  10.480   3.271  -2.299
  151   2HG2  ILE  22          2HG2      ILE  22  10.064   1.595  -1.948
  152   3HG2  ILE  22          3HG2      ILE  22   8.793   2.754  -2.341
  153   1HD1  ILE  22          1HD1      ILE  22   8.451  -0.296  -5.999
  154   2HD1  ILE  22          2HD1      ILE  22  10.179   0.030  -5.851
  155   3HD1  ILE  22          3HD1      ILE  22   9.101   1.257  -6.522
  156    H    THR  23           H        THR  23   7.812   2.708  -6.046
  157    HA   THR  23           HA       THR  23   6.100   4.680  -4.764
  158    HB   THR  23           HB       THR  23   6.082   4.531  -7.765
  159    HG1  THR  23           HG1      THR  23   7.540   6.128  -7.842
  160   1HG2  THR  23          1HG2      THR  23   4.820   6.635  -7.549
  161   2HG2  THR  23          2HG2      THR  23   4.955   6.535  -5.792
  162   3HG2  THR  23          3HG2      THR  23   4.027   5.322  -6.674
  163    H    PHE  24           H        PHE  24   4.267   3.927  -4.316
  164    HA   PHE  24           HA       PHE  24   3.155   1.675  -5.844
  165   1HB   PHE  24          1HB       PHE  24   2.910   2.167  -2.872
  166   2HB   PHE  24          2HB       PHE  24   2.247   0.824  -3.769
  167    HD1  PHE  24           HD1      PHE  24   4.225  -0.359  -5.281
  168    HD2  PHE  24           HD2      PHE  24   4.699   1.657  -1.569
  169    HE1  PHE  24           HE1      PHE  24   6.283  -1.634  -4.851
  170    HE2  PHE  24           HE2      PHE  24   6.757   0.384  -1.136
  171    HZ   PHE  24           HZ       PHE  24   7.549  -1.269  -2.782
  172    H    SER  25           H        SER  25   1.020   1.793  -6.220
  173    HA   SER  25           HA       SER  25  -0.569   3.931  -5.074
  174   1HB   SER  25          1HB       SER  25  -1.411   3.210  -7.751
  175   2HB   SER  25          2HB       SER  25  -1.126   4.799  -7.060
  176    HG   SER  25           HG       SER  25   1.127   4.468  -7.454
  177    H    ALA  26           H        ALA  26  -2.220   3.147  -4.128
  178    HA   ALA  26           HA       ALA  26  -3.361   0.557  -4.952
  179   1HB   ALA  26          1HB       ALA  26  -3.731  -0.054  -2.650
  180   2HB   ALA  26          2HB       ALA  26  -3.151   1.514  -2.088
  181   3HB   ALA  26          3HB       ALA  26  -2.034   0.385  -2.833
  182    H    ARG  27           H        ARG  27  -5.378   0.768  -5.606
  183    HA   ARG  27           HA       ARG  27  -6.939   3.061  -4.629
  184   1HB   ARG  27          1HB       ARG  27  -7.067   1.507  -7.211
  185   2HB   ARG  27          2HB       ARG  27  -8.341   2.611  -6.706
  186   1HG   ARG  27          1HG       ARG  27  -6.773   4.460  -6.709
  187   2HG   ARG  27          2HG       ARG  27  -5.460   3.357  -7.132
  188   1HD   ARG  27          1HD       ARG  27  -6.317   2.962  -9.271
  189   2HD   ARG  27          2HD       ARG  27  -7.910   3.593  -8.845
  190    HE   ARG  27           HE       ARG  27  -6.326   5.750  -8.528
  191   1HH1  ARG  27          1HH1      ARG  27  -6.625   3.472 -11.177
  192   2HH1  ARG  27          2HH1      ARG  27  -6.306   4.675 -12.400
  193   1HH2  ARG  27          1HH2      ARG  27  -5.904   7.320 -10.141
  194   2HH2  ARG  27          2HH2      ARG  27  -5.933   6.859 -11.813
  195    H    VAL  28           H        VAL  28  -8.526   2.606  -3.256
  196    HA   VAL  28           HA       VAL  28  -9.661  -0.075  -3.307
  197    HB   VAL  28           HB       VAL  28  -9.483   1.672  -0.865
  198   1HG1  VAL  28          1HG1      VAL  28 -11.289  -0.049  -1.010
  199   2HG1  VAL  28          2HG1      VAL  28 -10.162  -0.296   0.326
  200   3HG1  VAL  28          3HG1      VAL  28 -10.032  -1.284  -1.130
  201   1HG2  VAL  28          1HG2      VAL  28  -7.660  -0.567  -1.735
  202   2HG2  VAL  28          2HG2      VAL  28  -7.676   0.143  -0.124
  203   3HG2  VAL  28          3HG2      VAL  28  -7.232   1.130  -1.515
  204    H    ALA  29           H        ALA  29 -11.614  -0.146  -3.670
  205    HA   ALA  29           HA       ALA  29 -13.303   1.950  -4.290
  206   1HB   ALA  29          1HB       ALA  29 -14.046  -0.859  -3.490
  207   2HB   ALA  29          2HB       ALA  29 -13.642  -0.320  -5.120
  208   3HB   ALA  29          3HB       ALA  29 -15.097   0.286  -4.325
  209    H    GLY  30           H        GLY  30 -13.760   3.428  -2.919
  210   1HA   GLY  30          1HA       GLY  30 -14.177   3.391  -0.200
  211   2HA   GLY  30          2HA       GLY  30 -14.992   4.495  -1.316
  212    H    ALA  31           H        ALA  31 -16.556   2.901  -2.746
  213    HA   ALA  31           HA       ALA  31 -18.729   2.254  -2.765
  214   1HB   ALA  31          1HB       ALA  31 -19.141   0.121  -1.590
  215   2HB   ALA  31          2HB       ALA  31 -17.585   0.297  -0.776
  216   3HB   ALA  31          3HB       ALA  31 -17.651   0.109  -2.533
  217    H    SER  32           H        SER  32 -20.360   1.114  -0.840
  218    HA   SER  32           HA       SER  32 -20.481   3.122   1.291
  219   1HB   SER  32          1HB       SER  32 -22.219   3.465  -0.549
  220   2HB   SER  32          2HB       SER  32 -22.922   1.927  -0.051
  221    HG   SER  32           HG       SER  32 -23.241   4.354   1.037
  222    H    LEU  33           H        LEU  33 -19.428   1.639   2.666
  223    HA   LEU  33           HA       LEU  33 -20.959  -0.778   3.283
  224   1HB   LEU  33          1HB       LEU  33 -18.962  -1.841   4.011
  225   2HB   LEU  33          2HB       LEU  33 -18.650  -1.079   2.516
  226    HG   LEU  33           HG       LEU  33 -17.992   0.687   4.325
  227   1HD1  LEU  33          1HD1      LEU  33 -16.321  -0.411   5.631
  228   2HD1  LEU  33          2HD1      LEU  33 -16.582  -1.902   4.728
  229   3HD1  LEU  33          3HD1      LEU  33 -17.831  -1.309   5.817
  230   1HD2  LEU  33          1HD2      LEU  33 -17.188   0.659   2.127
  231   2HD2  LEU  33          2HD2      LEU  33 -16.495  -0.940   2.373
  232   3HD2  LEU  33          3HD2      LEU  33 -15.812   0.451   3.214
  233    H    LEU  34           H        LEU  34 -20.219  -1.419   5.722
  234    HA   LEU  34           HA       LEU  34 -21.706   0.200   7.408
  235   1HB   LEU  34          1HB       LEU  34 -20.973  -2.197   7.741
  236   2HB   LEU  34          2HB       LEU  34 -19.440  -1.549   8.301
  237    HG   LEU  34           HG       LEU  34 -20.743  -0.250  10.019
  238   1HD1  LEU  34          1HD1      LEU  34 -22.946  -2.152   9.257
  239   2HD1  LEU  34          2HD1      LEU  34 -22.927  -0.428   8.895
  240   3HD1  LEU  34          3HD1      LEU  34 -22.970  -0.975  10.571
  241   1HD2  LEU  34          1HD2      LEU  34 -19.477  -2.251  10.581
  242   2HD2  LEU  34          2HD2      LEU  34 -20.848  -3.260  10.122
  243   3HD2  LEU  34          3HD2      LEU  34 -20.974  -2.183  11.514
  244    H    LYS  35           H        LYS  35 -18.490   0.554   6.354
  245    HA   LYS  35           HA       LYS  35 -17.996   2.896   7.910
  246   1HB   LYS  35          1HB       LYS  35 -15.678   1.779   8.573
  247   2HB   LYS  35          2HB       LYS  35 -17.089   1.652   9.602
  248   1HG   LYS  35          1HG       LYS  35 -16.651  -0.529   9.611
  249   2HG   LYS  35          2HG       LYS  35 -17.365  -0.538   8.000
  250   1HD   LYS  35          1HD       LYS  35 -15.277  -0.524   6.945
  251   2HD   LYS  35          2HD       LYS  35 -14.444   0.012   8.411
  252   1HE   LYS  35          1HE       LYS  35 -15.779  -2.670   8.047
  253   2HE   LYS  35          2HE       LYS  35 -14.048  -2.371   7.902
  254   1HZ   LYS  35          1HZ       LYS  35 -13.995  -1.688  10.218
  255   2HZ   LYS  35          2HZ       LYS  35 -14.640  -3.251  10.086
  256   3HZ   LYS  35          3HZ       LYS  35 -15.667  -1.931  10.364
  257    HA   PRO  36           HA       PRO  36 -15.228   3.518   4.388
  258   1HB   PRO  36          1HB       PRO  36 -12.898   4.229   5.977
  259   2HB   PRO  36          2HB       PRO  36 -13.890   5.286   4.969
  260   1HG   PRO  36          1HG       PRO  36 -13.804   5.430   7.693
  261   2HG   PRO  36          2HG       PRO  36 -15.210   5.919   6.730
  262   1HD   PRO  36          1HD       PRO  36 -14.743   3.362   8.222
  263   2HD   PRO  36          2HD       PRO  36 -16.224   4.334   8.094
  264    HA   PRO  37           HA       PRO  37 -13.267  -0.479   4.290
  265   1HB   PRO  37          1HB       PRO  37 -11.267   0.605   2.487
  266   2HB   PRO  37          2HB       PRO  37 -12.418  -0.701   2.221
  267   1HG   PRO  37          1HG       PRO  37 -12.634   1.811   1.085
  268   2HG   PRO  37          2HG       PRO  37 -13.977   0.673   1.300
  269   1HD   PRO  37          1HD       PRO  37 -13.419   3.174   2.701
  270   2HD   PRO  37          2HD       PRO  37 -14.915   2.220   2.638
  271    H    VAL  38           H        VAL  38 -11.725  -1.344   5.466
  272    HA   VAL  38           HA       VAL  38  -9.733   0.434   6.623
  273    HB   VAL  38           HB       VAL  38 -10.050  -2.375   7.489
  274   1HG1  VAL  38          1HG1      VAL  38  -9.254   0.138   8.929
  275   2HG1  VAL  38          2HG1      VAL  38  -8.179  -1.129   8.338
  276   3HG1  VAL  38          3HG1      VAL  38  -9.305  -1.472   9.651
  277   1HG2  VAL  38          1HG2      VAL  38 -11.794  -0.143   8.501
  278   2HG2  VAL  38          2HG2      VAL  38 -11.700  -1.767   9.180
  279   3HG2  VAL  38          3HG2      VAL  38 -12.329  -1.528   7.553
  280    H    VAL  39           H        VAL  39  -8.235   0.439   5.318
  281    HA   VAL  39           HA       VAL  39  -7.121  -2.010   4.229
  282    HB   VAL  39           HB       VAL  39  -6.215   0.673   3.333
  283   1HG1  VAL  39          1HG1      VAL  39  -5.901  -0.517   1.193
  284   2HG1  VAL  39          2HG1      VAL  39  -6.493  -1.985   1.971
  285   3HG1  VAL  39          3HG1      VAL  39  -5.004  -1.220   2.541
  286   1HG2  VAL  39          1HG2      VAL  39  -8.684  -0.617   2.186
  287   2HG2  VAL  39          2HG2      VAL  39  -7.936   0.894   1.665
  288   3HG2  VAL  39          3HG2      VAL  39  -8.690   0.787   3.252
  289    H    LYS  40           H        LYS  40  -5.564  -2.586   5.491
  290    HA   LYS  40           HA       LYS  40  -3.772  -0.638   6.582
  291   1HB   LYS  40          1HB       LYS  40  -2.954  -2.358   8.054
  292   2HB   LYS  40          2HB       LYS  40  -4.672  -2.178   8.224
  293   1HG   LYS  40          1HG       LYS  40  -4.527  -4.455   8.212
  294   2HG   LYS  40          2HG       LYS  40  -4.679  -4.155   6.479
  295   1HD   LYS  40          1HD       LYS  40  -2.262  -4.282   6.209
  296   2HD   LYS  40          2HD       LYS  40  -2.059  -4.501   7.950
  297   1HE   LYS  40          1HE       LYS  40  -3.590  -6.402   6.190
  298   2HE   LYS  40          2HE       LYS  40  -1.880  -6.582   6.564
  299   1HZ   LYS  40          1HZ       LYS  40  -4.120  -6.623   8.502
  300   2HZ   LYS  40          2HZ       LYS  40  -2.482  -6.661   8.930
  301   3HZ   LYS  40          3HZ       LYS  40  -3.159  -7.934   8.039
  302    H    TRP  41           H        TRP  41  -2.046  -0.357   5.859
  303    HA   TRP  41           HA       TRP  41  -0.854  -1.972   3.801
  304   1HB   TRP  41          1HB       TRP  41  -0.131   0.620   5.118
  305   2HB   TRP  41          2HB       TRP  41   0.916  -0.179   3.946
  306    HD1  TRP  41           HD1      TRP  41  -2.456   1.599   4.219
  307    HE1  TRP  41           HE1      TRP  41  -3.111   2.342   1.804
  308    HE3  TRP  41           HE3      TRP  41   1.102  -0.913   1.583
  309    HZ2  TRP  41           HZ2      TRP  41  -2.278   1.794  -0.843
  310    HZ3  TRP  41           HZ3      TRP  41   1.108  -0.784  -0.869
  311    HH2  TRP  41           HH2      TRP  41  -0.571   0.545  -2.048
  312    H    PHE  42           H        PHE  42   1.126  -2.779   3.850
  313    HA   PHE  42           HA       PHE  42   2.562  -2.973   6.375
  314   1HB   PHE  42          1HB       PHE  42   1.234  -5.136   5.775
  315   2HB   PHE  42          2HB       PHE  42   2.380  -5.296   4.449
  316    HD1  PHE  42           HD1      PHE  42   4.569  -6.112   4.812
  317    HD2  PHE  42           HD2      PHE  42   2.055  -5.187   8.119
  318    HE1  PHE  42           HE1      PHE  42   6.167  -7.213   6.332
  319    HE2  PHE  42           HE2      PHE  42   3.642  -6.287   9.641
  320    HZ   PHE  42           HZ       PHE  42   5.702  -7.303   8.750
  321    H    LYS  43           H        LYS  43   4.749  -2.790   6.004
  322    HA   LYS  43           HA       LYS  43   5.406  -1.898   3.281
  323   1HB   LYS  43          1HB       LYS  43   5.643  -0.115   4.949
  324   2HB   LYS  43          2HB       LYS  43   6.581  -1.174   6.004
  325   1HG   LYS  43          1HG       LYS  43   8.429  -1.119   4.466
  326   2HG   LYS  43          2HG       LYS  43   7.462  -0.220   3.291
  327   1HD   LYS  43          1HD       LYS  43   7.255   1.616   4.929
  328   2HD   LYS  43          2HD       LYS  43   8.301   0.719   6.032
  329   1HE   LYS  43          1HE       LYS  43   9.614   2.353   4.852
  330   2HE   LYS  43          2HE       LYS  43  10.064   0.731   4.322
  331   1HZ   LYS  43          1HZ       LYS  43   8.123   2.406   2.837
  332   2HZ   LYS  43          2HZ       LYS  43   8.915   1.006   2.303
  333   3HZ   LYS  43          3HZ       LYS  43   9.784   2.437   2.523
  334    H    GLY  44           H        GLY  44   7.756  -2.558   2.727
  335   1HA   GLY  44          1HA       GLY  44   8.662  -4.804   2.216
  336   2HA   GLY  44          2HA       GLY  44   9.774  -3.805   3.107
  337    H    LYS  45           H        LYS  45  10.854  -5.793   3.641
  338    HA   LYS  45           HA       LYS  45   9.815  -8.200   4.312
  339   1HB   LYS  45          1HB       LYS  45  12.323  -6.822   4.662
  340   2HB   LYS  45          2HB       LYS  45  12.059  -7.984   5.954
  341   1HG   LYS  45          1HG       LYS  45  11.711  -9.747   4.278
  342   2HG   LYS  45          2HG       LYS  45  11.983  -8.555   2.995
  343   1HD   LYS  45          1HD       LYS  45  14.016  -9.784   3.339
  344   2HD   LYS  45          2HD       LYS  45  14.241  -8.134   3.922
  345   1HE   LYS  45          1HE       LYS  45  15.236  -9.703   5.479
  346   2HE   LYS  45          2HE       LYS  45  13.836  -8.935   6.229
  347   1HZ   LYS  45          1HZ       LYS  45  14.244 -11.541   6.263
  348   2HZ   LYS  45          2HZ       LYS  45  13.344 -11.438   4.827
  349   3HZ   LYS  45          3HZ       LYS  45  12.693 -10.855   6.281
  350    H    TRP  46           H        TRP  46   9.373  -5.522   6.482
  351    HA   TRP  46           HA       TRP  46   8.339  -7.274   8.518
  352   1HB   TRP  46          1HB       TRP  46   9.865  -6.189  10.220
  353   2HB   TRP  46          2HB       TRP  46  10.521  -7.481   9.239
  354    HD1  TRP  46           HD1      TRP  46  12.196  -6.663   7.201
  355    HE1  TRP  46           HE1      TRP  46  13.750  -4.625   7.058
  356    HE3  TRP  46           HE3      TRP  46  10.199  -3.888  11.000
  357    HZ2  TRP  46           HZ2      TRP  46  14.090  -2.147   8.407
  358    HZ3  TRP  46           HZ3      TRP  46  11.201  -1.701  11.516
  359    HH2  TRP  46           HH2      TRP  46  13.099  -0.856  10.243
  360    H    VAL  47           H        VAL  47   8.224  -4.309   7.085
  361    HA   VAL  47           HA       VAL  47   8.045  -2.738   9.415
  362    HB   VAL  47           HB       VAL  47   7.814  -1.247   6.973
  363   1HG1  VAL  47          1HG1      VAL  47   9.802  -0.151   7.882
  364   2HG1  VAL  47          2HG1      VAL  47   9.931  -1.437   9.083
  365   3HG1  VAL  47          3HG1      VAL  47   8.539  -0.354   9.094
  366   1HG2  VAL  47          1HG2      VAL  47   8.985  -2.953   5.791
  367   2HG2  VAL  47          2HG2      VAL  47  10.129  -3.172   7.118
  368   3HG2  VAL  47          3HG2      VAL  47  10.152  -1.690   6.166
  369    H    ASP  48           H        ASP  48   6.528  -1.408   9.743
  370    HA   ASP  48           HA       ASP  48   3.901  -1.661   8.474
  371   1HB   ASP  48          1HB       ASP  48   3.748  -2.170  10.824
  372   2HB   ASP  48          2HB       ASP  48   4.716  -0.745  11.217
  373    H    LEU  49           H        LEU  49   3.188   0.051   7.463
  374    HA   LEU  49           HA       LEU  49   4.918   2.228   7.000
  375   1HB   LEU  49          1HB       LEU  49   2.111   1.615   6.143
  376   2HB   LEU  49          2HB       LEU  49   2.842   3.175   5.817
  377    HG   LEU  49           HG       LEU  49   4.733   1.594   4.749
  378   1HD1  LEU  49          1HD1      LEU  49   3.788  -0.200   3.552
  379   2HD1  LEU  49          2HD1      LEU  49   2.156   0.192   4.100
  380   3HD1  LEU  49          3HD1      LEU  49   3.350  -0.449   5.244
  381   1HD2  LEU  49          1HD2      LEU  49   3.691   2.073   2.639
  382   2HD2  LEU  49          2HD2      LEU  49   3.560   3.453   3.733
  383   3HD2  LEU  49          3HD2      LEU  49   2.162   2.398   3.460
  384    H    SER  50           H        SER  50   2.238   1.812   9.176
  385    HA   SER  50           HA       SER  50   1.318   4.429   9.212
  386   1HB   SER  50          1HB       SER  50   1.212   2.476  11.508
  387   2HB   SER  50          2HB       SER  50   0.037   3.698  11.057
  388    HG   SER  50           HG       SER  50   0.361   1.143  10.106
  389    H    SER  51           H        SER  51   4.053   2.861  10.499
  390    HA   SER  51           HA       SER  51   4.467   4.863  12.478
  391   1HB   SER  51          1HB       SER  51   4.903   2.314  12.730
  392   2HB   SER  51          2HB       SER  51   6.422   2.680  11.927
  393    HG   SER  51           HG       SER  51   5.501   3.463  14.462
  394    H    LYS  52           H        LYS  52   5.546   3.995   9.369
  395    HA   LYS  52           HA       LYS  52   7.987   5.562   9.546
  396   1HB   LYS  52          1HB       LYS  52   7.293   4.121   7.068
  397   2HB   LYS  52          2HB       LYS  52   8.823   4.230   7.912
  398   1HG   LYS  52          1HG       LYS  52   6.506   2.453   8.565
  399   2HG   LYS  52          2HG       LYS  52   8.073   1.966   7.920
  400   1HD   LYS  52          1HD       LYS  52   7.658   3.224  10.637
  401   2HD   LYS  52          2HD       LYS  52   7.777   1.482  10.359
  402   1HE   LYS  52          1HE       LYS  52  10.043   1.766   9.522
  403   2HE   LYS  52          2HE       LYS  52   9.907   3.517   9.674
  404   1HZ   LYS  52          1HZ       LYS  52   9.775   1.586  11.937
  405   2HZ   LYS  52          2HZ       LYS  52   9.706   3.280  12.063
  406   3HZ   LYS  52          3HZ       LYS  52  11.130   2.526  11.526
  407    H    VAL  53           H        VAL  53   5.008   5.403   7.943
  408    HA   VAL  53           HA       VAL  53   5.056   7.041   5.848
  409    HB   VAL  53           HB       VAL  53   2.940   6.581   7.939
  410   1HG1  VAL  53          1HG1      VAL  53   1.334   7.478   6.177
  411   2HG1  VAL  53          2HG1      VAL  53   2.743   8.263   5.445
  412   3HG1  VAL  53          3HG1      VAL  53   2.253   8.687   7.088
  413   1HG2  VAL  53          1HG2      VAL  53   3.521   4.714   6.550
  414   2HG2  VAL  53          2HG2      VAL  53   3.272   5.685   5.098
  415   3HG2  VAL  53          3HG2      VAL  53   1.907   5.296   6.145
  416    H    GLY  54           H        GLY  54   6.384   8.580   5.991
  417   1HA   GLY  54          1HA       GLY  54   5.377  11.070   7.080
  418   2HA   GLY  54          2HA       GLY  54   6.891  10.549   7.802
  419    H    GLN  55           H        GLN  55   8.800  10.669   6.571
  420    HA   GLN  55           HA       GLN  55   8.570  12.817   4.609
  421   1HB   GLN  55          1HB       GLN  55  11.057  11.724   5.918
  422   2HB   GLN  55          2HB       GLN  55  10.908  13.234   5.031
  423   1HG   GLN  55          1HG       GLN  55   9.467  12.617   7.600
  424   2HG   GLN  55          2HG       GLN  55  10.990  13.493   7.495
  425   1HE2  GLN  55          1HE2      GLN  55  10.103  15.313   8.442
  426   2HE2  GLN  55          2HE2      GLN  55   9.000  16.354   7.605
  427    H    HIS  56           H        HIS  56  10.038   9.587   4.869
  428    HA   HIS  56           HA       HIS  56  10.869   9.774   2.055
  429   1HB   HIS  56          1HB       HIS  56  12.344   8.003   2.445
  430   2HB   HIS  56          2HB       HIS  56  12.387   8.901   3.950
  431    HD1  HIS  56           HD1      HIS  56  11.595   5.631   2.493
  432    HD2  HIS  56           HD2      HIS  56  11.138   7.552   6.147
  433    HE1  HIS  56           HE1      HIS  56  10.812   3.850   4.101
  434    HE2  HIS  56           HE2      HIS  56  10.860   4.998   6.354
  435    H    LEU  57           H        LEU  57   8.808   7.892   4.117
  436    HA   LEU  57           HA       LEU  57   7.445   6.811   1.756
  437   1HB   LEU  57          1HB       LEU  57   8.271   4.970   3.055
  438   2HB   LEU  57          2HB       LEU  57   7.873   5.714   4.560
  439    HG   LEU  57           HG       LEU  57   6.566   3.639   3.230
  440   1HD1  LEU  57          1HD1      LEU  57   5.014   3.803   5.134
  441   2HD1  LEU  57          2HD1      LEU  57   5.796   5.321   5.575
  442   3HD1  LEU  57          3HD1      LEU  57   6.725   3.825   5.560
  443   1HD2  LEU  57          1HD2      LEU  57   4.262   4.415   2.975
  444   2HD2  LEU  57          2HD2      LEU  57   5.336   5.186   1.807
  445   3HD2  LEU  57          3HD2      LEU  57   4.787   6.082   3.226
  446    H    GLN  58           H        GLN  58   6.005   8.444   1.472
  447    HA   GLN  58           HA       GLN  58   4.172   9.001   3.626
  448   1HB   GLN  58          1HB       GLN  58   4.072   9.984   0.765
  449   2HB   GLN  58          2HB       GLN  58   3.191  10.623   2.143
  450   1HG   GLN  58          1HG       GLN  58   4.795  12.167   2.017
  451   2HG   GLN  58          2HG       GLN  58   5.649  11.032   3.025
  452   1HE2  GLN  58          1HE2      GLN  58   7.387   9.949   2.210
  453   2HE2  GLN  58          2HE2      GLN  58   8.115  10.338   0.691
  454    H    LEU  59           H        LEU  59   2.780   7.517   3.835
  455    HA   LEU  59           HA       LEU  59   1.584   6.149   1.565
  456   1HB   LEU  59          1HB       LEU  59   2.311   4.909   3.718
  457   2HB   LEU  59          2HB       LEU  59   1.033   5.759   4.541
  458    HG   LEU  59           HG       LEU  59   0.847   3.488   2.589
  459   1HD1  LEU  59          1HD1      LEU  59   0.941   2.745   4.735
  460   2HD1  LEU  59          2HD1      LEU  59  -0.813   2.924   4.512
  461   3HD1  LEU  59          3HD1      LEU  59   0.106   4.172   5.381
  462   1HD2  LEU  59          1HD2      LEU  59  -1.552   3.819   2.442
  463   2HD2  LEU  59          2HD2      LEU  59  -0.679   5.168   1.702
  464   3HD2  LEU  59          3HD2      LEU  59  -1.410   5.355   3.302
  465    H    HIS  60           H        HIS  60   0.480   7.800   0.705
  466    HA   HIS  60           HA       HIS  60  -1.172   9.502   2.273
  467   1HB   HIS  60          1HB       HIS  60  -0.292   9.547  -0.580
  468   2HB   HIS  60          2HB       HIS  60  -1.616  10.535  -0.028
  469    HD1  HIS  60           HD1      HIS  60  -0.485  11.594   2.612
  470    HD2  HIS  60           HD2      HIS  60   1.661  11.363  -0.944
  471    HE1  HIS  60           HE1      HIS  60   1.318  13.345   2.793
  472    HE2  HIS  60           HE2      HIS  60   2.400  13.370   0.514
  473    H    ASP  61           H        ASP  61  -3.149   9.982   1.448
  474    HA   ASP  61           HA       ASP  61  -4.635   7.837   0.259
  475   1HB   ASP  61          1HB       ASP  61  -6.454   8.270   1.858
  476   2HB   ASP  61          2HB       ASP  61  -5.065   7.490   2.567
  477    H    SER  62           H        SER  62  -5.386   8.626  -1.380
  478    HA   SER  62           HA       SER  62  -6.524  11.300  -1.497
  479   1HB   SER  62          1HB       SER  62  -6.777   9.349  -3.741
  480   2HB   SER  62          2HB       SER  62  -6.639  11.101  -3.809
  481    HG   SER  62           HG       SER  62  -4.463   9.776  -2.723
  482    H    TYR  63           H        TYR  63  -8.731  11.599  -1.906
  483    HA   TYR  63           HA       TYR  63 -10.408   9.305  -1.524
  484   1HB   TYR  63          1HB       TYR  63 -10.259   9.754   0.676
  485   2HB   TYR  63          2HB       TYR  63 -10.052  11.481   0.463
  486    HD1  TYR  63           HD1      TYR  63 -11.729  12.714   1.384
  487    HD2  TYR  63           HD2      TYR  63 -12.723   8.955  -0.337
  488    HE1  TYR  63           HE1      TYR  63 -14.084  13.083   1.964
  489    HE2  TYR  63           HE2      TYR  63 -15.088   9.312   0.241
  490    HH   TYR  63           HH       TYR  63 -16.269  12.360   1.291
  491    H    ASP  64           H        ASP  64 -11.247   9.492  -3.401
  492    HA   ASP  64           HA       ASP  64 -12.881  11.851  -3.911
  493   1HB   ASP  64          1HB       ASP  64 -12.876  10.613  -6.253
  494   2HB   ASP  64          2HB       ASP  64 -11.660  11.772  -5.780
  495    H    ARG  65           H        ARG  65 -14.870  11.542  -3.325
  496    HA   ARG  65           HA       ARG  65 -16.123   9.002  -3.175
  497   1HB   ARG  65          1HB       ARG  65 -16.694  11.555  -2.240
  498   2HB   ARG  65          2HB       ARG  65 -17.973  11.236  -3.406
  499   1HG   ARG  65          1HG       ARG  65 -17.225   9.561  -1.041
  500   2HG   ARG  65          2HG       ARG  65 -18.690  10.527  -1.237
  501   1HD   ARG  65          1HD       ARG  65 -18.231   8.660  -3.422
  502   2HD   ARG  65          2HD       ARG  65 -18.415   7.852  -1.861
  503    HE   ARG  65           HE       ARG  65 -20.558   9.259  -1.733
  504   1HH1  ARG  65          1HH1      ARG  65 -19.193   8.105  -4.764
  505   2HH1  ARG  65          2HH1      ARG  65 -20.746   7.798  -5.485
  506   1HH2  ARG  65          1HH2      ARG  65 -22.590   8.894  -2.714
  507   2HH2  ARG  65          2HH2      ARG  65 -22.650   8.262  -4.333
  508    H    ALA  66           H        ALA  66 -15.971  11.498  -5.551
  509    HA   ALA  66           HA       ALA  66 -18.055  10.695  -7.228
  510   1HB   ALA  66          1HB       ALA  66 -15.530  12.115  -8.049
  511   2HB   ALA  66          2HB       ALA  66 -16.932  12.901  -7.323
  512   3HB   ALA  66          3HB       ALA  66 -17.074  12.123  -8.900
  513    H    SER  67           H        SER  67 -14.812   9.568  -6.877
  514    HA   SER  67           HA       SER  67 -15.124   7.771  -9.167
  515   1HB   SER  67          1HB       SER  67 -12.667   8.201  -7.447
  516   2HB   SER  67          2HB       SER  67 -12.745   7.357  -8.992
  517    HG   SER  67           HG       SER  67 -12.027   9.713  -8.824
  518    H    LYS  68           H        LYS  68 -15.284   8.055  -5.819
  519    HA   LYS  68           HA       LYS  68 -15.784   6.645  -4.109
  520   1HB   LYS  68          1HB       LYS  68 -17.397   5.798  -5.916
  521   2HB   LYS  68          2HB       LYS  68 -16.228   4.509  -6.160
  522   1HG   LYS  68          1HG       LYS  68 -17.780   3.604  -4.698
  523   2HG   LYS  68          2HG       LYS  68 -16.427   4.082  -3.671
  524   1HD   LYS  68          1HD       LYS  68 -18.375   6.216  -3.990
  525   2HD   LYS  68          2HD       LYS  68 -19.089   4.748  -3.312
  526   1HE   LYS  68          1HE       LYS  68 -18.273   6.295  -1.568
  527   2HE   LYS  68          2HE       LYS  68 -17.472   4.729  -1.517
  528   1HZ   LYS  68          1HZ       LYS  68 -16.325   7.184  -2.739
  529   2HZ   LYS  68          2HZ       LYS  68 -15.555   5.686  -2.590
  530   3HZ   LYS  68          3HZ       LYS  68 -15.930   6.583  -1.207
  531    H    VAL  69           H        VAL  69 -13.147   6.957  -4.965
  532    HA   VAL  69           HA       VAL  69 -12.032   4.379  -4.196
  533    HB   VAL  69           HB       VAL  69 -10.642   6.366  -5.982
  534   1HG1  VAL  69          1HG1      VAL  69 -10.022   3.514  -5.278
  535   2HG1  VAL  69          2HG1      VAL  69  -9.157   4.947  -4.724
  536   3HG1  VAL  69          3HG1      VAL  69  -9.125   4.501  -6.430
  537   1HG2  VAL  69          1HG2      VAL  69 -12.059   3.838  -6.813
  538   2HG2  VAL  69          2HG2      VAL  69 -11.069   4.857  -7.859
  539   3HG2  VAL  69          3HG2      VAL  69 -12.575   5.484  -7.186
  540    H    TYR  70           H        TYR  70 -10.723   4.467  -2.563
  541    HA   TYR  70           HA       TYR  70  -9.513   7.007  -1.768
  542   1HB   TYR  70          1HB       TYR  70  -9.319   4.382  -0.326
  543   2HB   TYR  70          2HB       TYR  70  -8.747   5.928   0.241
  544    HD1  TYR  70           HD1      TYR  70 -11.724   3.842  -0.228
  545    HD2  TYR  70           HD2      TYR  70 -10.234   7.567   1.179
  546    HE1  TYR  70           HE1      TYR  70 -13.836   4.245   0.947
  547    HE2  TYR  70           HE2      TYR  70 -12.352   7.975   2.356
  548    HH   TYR  70           HH       TYR  70 -14.605   5.616   2.948
  549    H    LEU  71           H        LEU  71  -7.777   7.300  -2.833
  550    HA   LEU  71           HA       LEU  71  -6.218   5.030  -3.746
  551   1HB   LEU  71          1HB       LEU  71  -6.623   6.524  -5.547
  552   2HB   LEU  71          2HB       LEU  71  -6.183   7.919  -4.579
  553    HG   LEU  71           HG       LEU  71  -3.861   7.347  -4.645
  554   1HD1  LEU  71          1HD1      LEU  71  -2.996   5.362  -5.746
  555   2HD1  LEU  71          2HD1      LEU  71  -4.638   4.808  -6.072
  556   3HD1  LEU  71          3HD1      LEU  71  -4.060   4.923  -4.408
  557   1HD2  LEU  71          1HD2      LEU  71  -5.104   6.981  -7.364
  558   2HD2  LEU  71          2HD2      LEU  71  -3.409   7.365  -7.059
  559   3HD2  LEU  71          3HD2      LEU  71  -4.670   8.510  -6.600
  560    H    PHE  72           H        PHE  72  -5.053   4.402  -2.206
  561    HA   PHE  72           HA       PHE  72  -3.511   6.202  -0.586
  562   1HB   PHE  72          1HB       PHE  72  -3.669   3.225  -0.698
  563   2HB   PHE  72          2HB       PHE  72  -2.666   4.095   0.440
  564    HD1  PHE  72           HD1      PHE  72  -5.980   2.879  -0.335
  565    HD2  PHE  72           HD2      PHE  72  -3.761   5.490   2.197
  566    HE1  PHE  72           HE1      PHE  72  -7.884   2.990   1.217
  567    HE2  PHE  72           HE2      PHE  72  -5.670   5.605   3.751
  568    HZ   PHE  72           HZ       PHE  72  -7.704   4.315   3.297
  569    H    GLU  73           H        GLU  73  -1.779   6.906  -1.312
  570    HA   GLU  73           HA       GLU  73  -0.313   5.455  -3.379
  571   1HB   GLU  73          1HB       GLU  73   0.540   7.695  -4.131
  572   2HB   GLU  73          2HB       GLU  73  -1.159   7.375  -4.442
  573   1HG   GLU  73          1HG       GLU  73  -1.836   8.781  -2.629
  574   2HG   GLU  73          2HG       GLU  73  -0.173   8.946  -2.071
  575    H    LEU  74           H        LEU  74   1.527   4.888  -2.918
  576    HA   LEU  74           HA       LEU  74   2.851   5.800  -0.514
  577   1HB   LEU  74          1HB       LEU  74   3.577   3.689  -2.520
  578   2HB   LEU  74          2HB       LEU  74   4.535   4.047  -1.098
  579    HG   LEU  74           HG       LEU  74   3.170   2.049  -0.732
  580   1HD1  LEU  74          1HD1      LEU  74   2.063   4.406   0.768
  581   2HD1  LEU  74          2HD1      LEU  74   3.633   3.663   1.076
  582   3HD1  LEU  74          3HD1      LEU  74   2.155   2.731   1.314
  583   1HD2  LEU  74          1HD2      LEU  74   0.795   3.837  -1.233
  584   2HD2  LEU  74          2HD2      LEU  74   0.743   2.165  -0.673
  585   3HD2  LEU  74          3HD2      LEU  74   1.350   2.537  -2.286
  586    H    HIS  75           H        HIS  75   4.148   7.326  -0.658
  587    HA   HIS  75           HA       HIS  75   5.802   7.578  -3.068
  588   1HB   HIS  75          1HB       HIS  75   4.723   9.687  -1.206
  589   2HB   HIS  75          2HB       HIS  75   6.317   9.925  -1.920
  590    HD1  HIS  75           HD1      HIS  75   6.179  11.344  -3.923
  591    HD2  HIS  75           HD2      HIS  75   2.838   8.893  -3.540
  592    HE1  HIS  75           HE1      HIS  75   4.728  11.853  -5.915
  593    HE2  HIS  75           HE2      HIS  75   2.640  10.483  -5.568
  594    H    ILE  76           H        ILE  76   7.209   6.111  -2.462
  595    HA   ILE  76           HA       ILE  76   8.531   6.641   0.102
  596    HB   ILE  76           HB       ILE  76   8.270   4.038  -1.324
  597   1HG1  ILE  76          1HG1      ILE  76   6.933   4.955   1.219
  598   2HG1  ILE  76          2HG1      ILE  76   6.144   4.851  -0.359
  599   1HG2  ILE  76          1HG2      ILE  76   9.402   4.674   1.386
  600   2HG2  ILE  76          2HG2      ILE  76  10.345   4.214  -0.038
  601   3HG2  ILE  76          3HG2      ILE  76   9.228   3.059   0.701
  602   1HD1  ILE  76          1HD1      ILE  76   7.346   2.528   1.120
  603   2HD1  ILE  76          2HD1      ILE  76   6.466   2.465  -0.408
  604   3HD1  ILE  76          3HD1      ILE  76   5.631   2.939   1.072
  605    H    THR  77           H        THR  77  10.090   7.777  -0.528
  606    HA   THR  77           HA       THR  77  11.844   6.836  -2.588
  607    HB   THR  77           HB       THR  77  12.517   9.049  -3.031
  608    HG1  THR  77           HG1      THR  77  12.538  10.426  -1.419
  609   1HG2  THR  77          1HG2      THR  77  10.307   8.266  -3.887
  610   2HG2  THR  77          2HG2      THR  77  10.494  10.026  -3.823
  611   3HG2  THR  77          3HG2      THR  77   9.555   9.191  -2.581
  612    H    ASP  78           H        ASP  78  13.733   6.604  -2.136
  613    HA   ASP  78           HA       ASP  78  15.594   6.032  -0.995
  614   1HB   ASP  78          1HB       ASP  78  16.083   7.970   0.003
  615   2HB   ASP  78          2HB       ASP  78  14.511   8.114   0.758
  616    H    ALA  79           H        ALA  79  15.304   4.192  -0.882
  617    HA   ALA  79           HA       ALA  79  13.742   2.855   1.189
  618   1HB   ALA  79          1HB       ALA  79  13.120   2.208  -1.066
  619   2HB   ALA  79          2HB       ALA  79  13.894   0.853  -0.240
  620   3HB   ALA  79          3HB       ALA  79  14.796   1.791  -1.431
  621    H    GLN  80           H        GLN  80  14.957   2.457   2.887
  622    HA   GLN  80           HA       GLN  80  17.671   2.027   3.066
  623   1HB   GLN  80          1HB       GLN  80  16.524   2.289   5.088
  624   2HB   GLN  80          2HB       GLN  80  15.301   1.099   4.658
  625   1HG   GLN  80          1HG       GLN  80  16.410  -0.470   5.729
  626   2HG   GLN  80          2HG       GLN  80  17.822  -0.190   4.711
  627   1HE2  GLN  80          1HE2      GLN  80  19.470   1.176   5.450
  628   2HE2  GLN  80          2HE2      GLN  80  19.603   1.630   7.114
  629    HA   PRO  81           HA       PRO  81  18.422  -1.765   0.896
  630   1HB   PRO  81          1HB       PRO  81  20.571  -2.653   2.376
  631   2HB   PRO  81          2HB       PRO  81  20.674  -1.439   1.096
  632   1HG   PRO  81          1HG       PRO  81  20.509  -1.060   4.060
  633   2HG   PRO  81          2HG       PRO  81  21.525  -0.212   2.879
  634   1HD   PRO  81          1HD       PRO  81  19.304   0.906   3.864
  635   2HD   PRO  81          2HD       PRO  81  19.771   1.136   2.164
  636    H    ALA  82           H        ALA  82  17.587  -1.630   4.198
  637    HA   ALA  82           HA       ALA  82  17.300  -4.526   4.405
  638   1HB   ALA  82          1HB       ALA  82  16.901  -2.361   6.470
  639   2HB   ALA  82          2HB       ALA  82  18.306  -3.416   6.318
  640   3HB   ALA  82          3HB       ALA  82  16.738  -4.093   6.760
  641    H    PHE  83           H        PHE  83  15.586  -2.326   2.870
  642    HA   PHE  83           HA       PHE  83  13.011  -2.988   4.062
  643   1HB   PHE  83          1HB       PHE  83  14.007  -0.904   2.180
  644   2HB   PHE  83          2HB       PHE  83  12.326  -1.361   2.108
  645    HD1  PHE  83           HD1      PHE  83  12.608  -1.904   5.301
  646    HD2  PHE  83           HD2      PHE  83  13.116   1.436   2.705
  647    HE1  PHE  83           HE1      PHE  83  12.130  -0.379   7.166
  648    HE2  PHE  83           HE2      PHE  83  12.636   2.956   4.565
  649    HZ   PHE  83           HZ       PHE  83  12.158   2.176   6.701
  650    H    THR  84           H        THR  84  15.063  -4.042   1.627
  651    HA   THR  84           HA       THR  84  13.551  -5.009  -0.381
  652    HB   THR  84           HB       THR  84  15.765  -6.491   1.046
  653    HG1  THR  84           HG1      THR  84  17.033  -5.476  -0.323
  654   1HG2  THR  84          1HG2      THR  84  14.560  -7.199  -1.622
  655   2HG2  THR  84          2HG2      THR  84  14.005  -7.921  -0.110
  656   3HG2  THR  84          3HG2      THR  84  15.680  -8.154  -0.640
  657    H    GLY  85           H        GLY  85  11.673  -5.492   0.116
  658   1HA   GLY  85          1HA       GLY  85  11.212  -8.137   1.165
  659   2HA   GLY  85          2HA       GLY  85  10.682  -6.890   2.280
  660    H    GLY  86           H        GLY  86   8.637  -6.628   2.183
  661   1HA   GLY  86          1HA       GLY  86   7.305  -6.509  -0.355
  662   2HA   GLY  86          2HA       GLY  86   6.918  -7.908   0.615
  663    H    TYR  87           H        TYR  87   6.045  -4.984  -0.195
  664    HA   TYR  87           HA       TYR  87   4.751  -4.097   2.235
  665   1HB   TYR  87          1HB       TYR  87   4.549  -3.146  -0.640
  666   2HB   TYR  87          2HB       TYR  87   3.872  -2.331   0.761
  667    HD1  TYR  87           HD1      TYR  87   7.285  -3.711  -0.133
  668    HD2  TYR  87           HD2      TYR  87   4.986  -0.430   1.317
  669    HE1  TYR  87           HE1      TYR  87   9.331  -2.383   0.099
  670    HE2  TYR  87           HE2      TYR  87   7.037   0.890   1.561
  671    HH   TYR  87           HH       TYR  87  10.039  -0.096   0.238
  672    H    ARG  88           H        ARG  88   2.941  -5.184   2.830
  673    HA   ARG  88           HA       ARG  88   1.268  -6.396   0.727
  674   1HB   ARG  88          1HB       ARG  88   1.677  -7.065   3.628
  675   2HB   ARG  88          2HB       ARG  88   0.228  -7.589   2.782
  676   1HG   ARG  88          1HG       ARG  88   1.683  -8.728   1.120
  677   2HG   ARG  88          2HG       ARG  88   3.076  -8.301   2.119
  678   1HD   ARG  88          1HD       ARG  88   0.711  -9.879   3.121
  679   2HD   ARG  88          2HD       ARG  88   2.176 -10.616   2.475
  680    HE   ARG  88           HE       ARG  88   3.365  -9.389   4.323
  681   1HH1  ARG  88          1HH1      ARG  88  -0.039 -10.206   4.632
  682   2HH1  ARG  88          2HH1      ARG  88   0.037 -10.417   6.350
  683   1HH2  ARG  88          1HH2      ARG  88   3.449  -9.659   6.597
  684   2HH2  ARG  88          2HH2      ARG  88   2.019 -10.115   7.463
  685    H    CYS  89           H        CYS  89  -0.654  -5.579   0.320
  686    HA   CYS  89           HA       CYS  89  -1.750  -3.665   2.261
  687   1HB   CYS  89          1HB       CYS  89  -1.093  -2.976  -0.177
  688   2HB   CYS  89          2HB       CYS  89  -2.618  -3.749  -0.591
  689    HG   CYS  89           HG       CYS  89  -2.050  -0.908   1.144
  690    H    GLU  90           H        GLU  90  -3.554  -4.208   3.194
  691    HA   GLU  90           HA       GLU  90  -5.238  -6.278   1.992
  692   1HB   GLU  90          1HB       GLU  90  -4.196  -6.230   4.824
  693   2HB   GLU  90          2HB       GLU  90  -5.478  -7.295   4.265
  694   1HG   GLU  90          1HG       GLU  90  -3.931  -8.327   2.679
  695   2HG   GLU  90          2HG       GLU  90  -2.650  -7.246   3.227
  696    H    VAL  91           H        VAL  91  -7.194  -5.475   1.765
  697    HA   VAL  91           HA       VAL  91  -8.105  -3.452   3.687
  698    HB   VAL  91           HB       VAL  91  -8.101  -2.470   1.540
  699   1HG1  VAL  91          1HG1      VAL  91  -9.577  -4.892   0.541
  700   2HG1  VAL  91          2HG1      VAL  91  -7.914  -4.442   0.164
  701   3HG1  VAL  91          3HG1      VAL  91  -9.250  -3.439  -0.402
  702   1HG2  VAL  91          1HG2      VAL  91 -10.011  -1.809   2.714
  703   2HG2  VAL  91          2HG2      VAL  91 -10.846  -3.320   2.360
  704   3HG2  VAL  91          3HG2      VAL  91 -10.551  -2.153   1.071
  705    H    SER  92           H        SER  92 -10.049  -3.595   4.643
  706    HA   SER  92           HA       SER  92 -11.565  -6.088   4.323
  707   1HB   SER  92          1HB       SER  92  -9.915  -6.299   6.207
  708   2HB   SER  92          2HB       SER  92 -10.740  -4.961   7.009
  709    HG   SER  92           HG       SER  92 -12.156  -7.246   6.153
  710    H    THR  93           H        THR  93 -13.466  -5.414   3.720
  711    HA   THR  93           HA       THR  93 -14.781  -3.174   5.120
  712    HB   THR  93           HB       THR  93 -16.264  -3.235   3.082
  713    HG1  THR  93           HG1      THR  93 -14.034  -4.603   1.987
  714   1HG2  THR  93          1HG2      THR  93 -14.748  -1.794   1.874
  715   2HG2  THR  93          2HG2      THR  93 -13.394  -2.446   2.790
  716   3HG2  THR  93          3HG2      THR  93 -14.638  -1.497   3.616
  717    H    LYS  94           H        LYS  94 -17.236  -3.427   4.724
  718    HA   LYS  94           HA       LYS  94 -18.711  -4.871   6.221
  719   1HB   LYS  94          1HB       LYS  94 -20.182  -5.473   4.042
  720   2HB   LYS  94          2HB       LYS  94 -20.118  -3.894   4.780
  721   1HG   LYS  94          1HG       LYS  94 -19.935  -3.621   2.433
  722   2HG   LYS  94          2HG       LYS  94 -18.376  -3.243   3.142
  723   1HD   LYS  94          1HD       LYS  94 -18.025  -4.469   1.141
  724   2HD   LYS  94          2HD       LYS  94 -17.627  -5.522   2.500
  725   1HE   LYS  94          1HE       LYS  94 -18.971  -6.537   0.610
  726   2HE   LYS  94          2HE       LYS  94 -19.592  -6.770   2.246
  727   1HZ   LYS  94          1HZ       LYS  94 -21.271  -5.197   1.912
  728   2HZ   LYS  94          2HZ       LYS  94 -21.248  -6.069   0.461
  729   3HZ   LYS  94          3HZ       LYS  94 -20.532  -4.543   0.541
  730    H    ASP  95           H        ASP  95 -17.331  -6.295   3.393
  731    HA   ASP  95           HA       ASP  95 -17.333  -8.936   4.409
  732   1HB   ASP  95          1HB       ASP  95 -19.792  -8.171   3.563
  733   2HB   ASP  95          2HB       ASP  95 -19.131  -8.833   2.079
  734    H    LYS  96           H        LYS  96 -16.239  -6.614   2.348
  735    HA   LYS  96           HA       LYS  96 -15.500  -8.496   0.274
  736   1HB   LYS  96          1HB       LYS  96 -15.997  -5.625   0.102
  737   2HB   LYS  96          2HB       LYS  96 -14.416  -6.051  -0.487
  738   1HG   LYS  96          1HG       LYS  96 -16.954  -7.362  -1.389
  739   2HG   LYS  96          2HG       LYS  96 -16.158  -6.033  -2.236
  740   1HD   LYS  96          1HD       LYS  96 -14.202  -7.357  -2.618
  741   2HD   LYS  96          2HD       LYS  96 -14.808  -8.648  -1.582
  742   1HE   LYS  96          1HE       LYS  96 -15.349  -9.539  -3.596
  743   2HE   LYS  96          2HE       LYS  96 -16.803  -8.579  -3.336
  744   1HZ   LYS  96          1HZ       LYS  96 -15.905  -6.857  -4.719
  745   2HZ   LYS  96          2HZ       LYS  96 -15.853  -8.314  -5.566
  746   3HZ   LYS  96          3HZ       LYS  96 -14.437  -7.681  -4.890
  747    H    PHE  97           H        PHE  97 -13.568  -9.136   0.088
  748    HA   PHE  97           HA       PHE  97 -11.465  -7.860   1.680
  749   1HB   PHE  97          1HB       PHE  97 -12.389  -9.920   2.735
  750   2HB   PHE  97          2HB       PHE  97 -11.762 -10.837   1.374
  751    HD1  PHE  97           HD1      PHE  97 -10.851  -8.866   4.331
  752    HD2  PHE  97           HD2      PHE  97  -9.420 -11.268   1.122
  753    HE1  PHE  97           HE1      PHE  97  -8.661  -9.022   5.437
  754    HE2  PHE  97           HE2      PHE  97  -7.223 -11.431   2.226
  755    HZ   PHE  97           HZ       PHE  97  -6.829 -10.300   4.359
  756    H    ASP  98           H        ASP  98  -9.638  -7.570   0.750
  757    HA   ASP  98           HA       ASP  98  -8.771  -9.093  -1.558
  758   1HB   ASP  98          1HB       ASP  98  -9.504  -6.179  -1.718
  759   2HB   ASP  98          2HB       ASP  98  -8.263  -6.848  -2.764
  760    H    CYS  99           H        CYS  99  -6.537  -8.906  -1.911
  761    HA   CYS  99           HA       CYS  99  -5.013  -7.171  -0.163
  762   1HB   CYS  99          1HB       CYS  99  -3.683  -9.095   0.740
  763   2HB   CYS  99          2HB       CYS  99  -5.330  -8.993   1.337
  764    HG   CYS  99           HG       CYS  99  -4.323 -11.121  -1.148
  765    H    SER 100           H        SER 100  -2.887  -6.904  -0.733
  766    HA   SER 100           HA       SER 100  -2.063  -8.216  -3.240
  767   1HB   SER 100          1HB       SER 100  -0.712  -6.011  -3.570
  768   2HB   SER 100          2HB       SER 100  -2.409  -6.075  -4.016
  769    HG   SER 100           HG       SER 100  -1.240  -4.435  -2.320
  770    H    ASN 101           H        ASN 101   0.035  -8.669  -3.521
  771    HA   ASN 101           HA       ASN 101   1.840  -8.198  -1.267
  772   1HB   ASN 101          1HB       ASN 101   2.802 -10.407  -1.417
  773   2HB   ASN 101          2HB       ASN 101   1.072 -10.567  -1.186
  774   1HD2  ASN 101          1HD2      ASN 101   0.466 -10.027  -4.029
  775   2HD2  ASN 101          2HD2      ASN 101   0.925 -11.458  -4.868
  776    H    PHE 102           H        PHE 102   3.441  -6.953  -1.937
  777    HA   PHE 102           HA       PHE 102   4.527  -7.347  -4.597
  778   1HB   PHE 102          1HB       PHE 102   4.418  -4.847  -4.964
  779   2HB   PHE 102          2HB       PHE 102   2.913  -5.734  -5.129
  780    HD1  PHE 102           HD1      PHE 102   4.658  -3.098  -3.446
  781    HD2  PHE 102           HD2      PHE 102   1.216  -5.592  -3.258
  782    HE1  PHE 102           HE1      PHE 102   3.594  -1.509  -1.899
  783    HE2  PHE 102           HE2      PHE 102   0.148  -4.001  -1.706
  784    HZ   PHE 102           HZ       PHE 102   1.340  -1.967  -1.031
  785    H    ASN 103           H        ASN 103   6.651  -7.054  -4.660
  786    HA   ASN 103           HA       ASN 103   7.842  -6.590  -2.066
  787   1HB   ASN 103          1HB       ASN 103   9.709  -7.994  -3.130
  788   2HB   ASN 103          2HB       ASN 103   8.249  -8.784  -2.617
  789   1HD2  ASN 103          1HD2      ASN 103   8.219 -10.476  -3.927
  790   2HD2  ASN 103          2HD2      ASN 103   8.203 -10.397  -5.650
  791    H    LEU 104           H        LEU 104   9.531  -5.382  -1.796
  792    HA   LEU 104           HA       LEU 104  10.446  -3.816  -4.103
  793   1HB   LEU 104          1HB       LEU 104   9.776  -2.104  -2.771
  794   2HB   LEU 104          2HB       LEU 104   9.982  -3.004  -1.274
  795    HG   LEU 104           HG       LEU 104  12.493  -2.577  -2.435
  796   1HD1  LEU 104          1HD1      LEU 104  12.586  -0.135  -2.534
  797   2HD1  LEU 104          2HD1      LEU 104  10.831  -0.088  -2.352
  798   3HD1  LEU 104          3HD1      LEU 104  11.553  -0.830  -3.783
  799   1HD2  LEU 104          1HD2      LEU 104  11.169  -1.332  -0.056
  800   2HD2  LEU 104          2HD2      LEU 104  12.893  -1.241  -0.411
  801   3HD2  LEU 104          3HD2      LEU 104  12.144  -2.809  -0.071
  802    H    THR 105           H        THR 105  12.268  -4.537  -4.804
  803    HA   THR 105           HA       THR 105  14.144  -5.720  -2.885
  804    HB   THR 105           HB       THR 105  14.536  -5.592  -5.865
  805    HG1  THR 105           HG1      THR 105  12.653  -6.990  -4.492
  806   1HG2  THR 105          1HG2      THR 105  16.461  -6.195  -4.439
  807   2HG2  THR 105          2HG2      THR 105  15.962  -7.522  -5.488
  808   3HG2  THR 105          3HG2      THR 105  15.529  -7.537  -3.776
  809    H    VAL 106           H        VAL 106  15.004  -3.977  -1.889
  810    HA   VAL 106           HA       VAL 106  15.996  -1.743  -3.367
  811    HB   VAL 106           HB       VAL 106  15.140  -1.256  -1.153
  812   1HG1  VAL 106          1HG1      VAL 106  16.159  -2.075   0.849
  813   2HG1  VAL 106          2HG1      VAL 106  17.227  -3.099  -0.118
  814   3HG1  VAL 106          3HG1      VAL 106  15.478  -3.373  -0.142
  815   1HG2  VAL 106          1HG2      VAL 106  16.930   0.151  -1.981
  816   2HG2  VAL 106          2HG2      VAL 106  18.119  -0.942  -1.263
  817   3HG2  VAL 106          3HG2      VAL 106  17.020  -0.030  -0.228
  818    H    HIS 107           H        HIS 107  17.659  -1.807  -4.350
  819    HA   HIS 107           HA       HIS 107  19.598  -3.912  -4.184
  820   1HB   HIS 107          1HB       HIS 107  19.431  -1.564  -6.090
  821   2HB   HIS 107          2HB       HIS 107  20.541  -2.920  -6.238
  822    HD1  HIS 107           HD1      HIS 107  18.438  -2.130  -8.433
  823    HD2  HIS 107           HD2      HIS 107  17.952  -5.117  -5.581
  824    HE1  HIS 107           HE1      HIS 107  16.769  -3.725  -9.402
  825    HE2  HIS 107           HE2      HIS 107  16.761  -5.664  -7.808
  826    H    GLU 108           H        GLU 108  20.703  -3.524  -2.371
  827    HA   GLU 108           HA       GLU 108  22.384  -1.182  -2.172
  828   1HB   GLU 108          1HB       GLU 108  21.600  -2.411  -0.151
  829   2HB   GLU 108          2HB       GLU 108  22.555  -3.796  -0.654
  830   1HG   GLU 108          1HG       GLU 108  24.586  -2.439  -0.480
  831   2HG   GLU 108          2HG       GLU 108  23.613  -1.080   0.079
  832    H    ALA 109           H        ALA 109  23.525  -4.498  -1.922
  833    HA   ALA 109           HA       ALA 109  25.193  -5.664  -2.925
  834   1HB   ALA 109          1HB       ALA 109  23.969  -4.480  -5.409
  835   2HB   ALA 109          2HB       ALA 109  23.357  -5.880  -4.530
  836   3HB   ALA 109          3HB       ALA 109  24.934  -5.954  -5.314
  837    H    MET 110           H        MET 110  26.764  -4.094  -1.936
  838    HA   MET 110           HA       MET 110  28.777  -3.555  -3.841
  839   1HB   MET 110          1HB       MET 110  27.380  -1.545  -4.234
  840   2HB   MET 110          2HB       MET 110  27.550  -1.115  -2.537
  841   1HG   MET 110          1HG       MET 110  29.941  -0.850  -2.816
  842   2HG   MET 110          2HG       MET 110  29.817  -1.365  -4.498
  843   1HE   MET 110          1HE       MET 110  30.706   2.467  -4.691
  844   2HE   MET 110          2HE       MET 110  31.226   0.832  -5.103
  845   3HE   MET 110          3HE       MET 110  31.215   1.356  -3.420
  Start of MODEL    8
    1    H    ASP   1           H        ASP   1 -17.561 -12.083   0.726
    2    HA   ASP   1           HA       ASP   1 -17.782  -9.700   0.097
    3   1HB   ASP   1          1HB       ASP   1 -17.321 -11.472  -2.314
    4   2HB   ASP   1          2HB       ASP   1 -16.597  -9.908  -1.950
    5    H    ASP   2           H        ASP   2 -19.240  -8.369  -0.224
    6    HA   ASP   2           HA       ASP   2 -21.417  -8.843  -2.130
    7   1HB   ASP   2          1HB       ASP   2 -22.193  -8.278   0.033
    8   2HB   ASP   2          2HB       ASP   2 -20.926  -7.070   0.238
    9    HA   PRO   3           HA       PRO   3 -19.614  -6.448  -5.327
   10   1HB   PRO   3          1HB       PRO   3 -22.214  -4.990  -5.402
   11   2HB   PRO   3          2HB       PRO   3 -21.288  -5.724  -6.718
   12   1HG   PRO   3          1HG       PRO   3 -23.417  -6.971  -5.729
   13   2HG   PRO   3          2HG       PRO   3 -21.956  -7.877  -6.171
   14   1HD   PRO   3          1HD       PRO   3 -22.981  -7.130  -3.471
   15   2HD   PRO   3          2HD       PRO   3 -22.103  -8.583  -3.985
   16    H    ILE   4           H        ILE   4 -18.134  -5.333  -4.044
   17    HA   ILE   4           HA       ILE   4 -18.739  -2.462  -3.753
   18    HB   ILE   4           HB       ILE   4 -17.100  -4.314  -2.103
   19   1HG1  ILE   4          1HG1      ILE   4 -17.841  -2.657  -0.319
   20   2HG1  ILE   4          2HG1      ILE   4 -18.828  -1.906  -1.568
   21   1HG2  ILE   4          1HG2      ILE   4 -16.358  -1.403  -2.413
   22   2HG2  ILE   4          2HG2      ILE   4 -15.393  -2.778  -2.956
   23   3HG2  ILE   4          3HG2      ILE   4 -15.681  -2.532  -1.236
   24   1HD1  ILE   4          1HD1      ILE   4 -19.008  -4.741  -0.617
   25   2HD1  ILE   4          2HD1      ILE   4 -19.996  -4.016  -1.893
   26   3HD1  ILE   4          3HD1      ILE   4 -20.128  -3.428  -0.233
   27    H    GLY   5           H        GLY   5 -16.175  -4.794  -4.462
   28   1HA   GLY   5          1HA       GLY   5 -14.653  -4.758  -6.259
   29   2HA   GLY   5          2HA       GLY   5 -15.276  -3.168  -6.701
   30    H    LEU   6           H        LEU   6 -14.174  -4.440  -3.691
   31    HA   LEU   6           HA       LEU   6 -13.260  -2.103  -2.612
   32   1HB   LEU   6          1HB       LEU   6 -13.791  -4.459  -1.664
   33   2HB   LEU   6          2HB       LEU   6 -12.096  -4.779  -1.951
   34    HG   LEU   6           HG       LEU   6 -11.479  -3.035  -0.410
   35   1HD1  LEU   6          1HD1      LEU   6 -13.044  -1.739   0.829
   36   2HD1  LEU   6          2HD1      LEU   6 -14.396  -2.633   0.141
   37   3HD1  LEU   6          3HD1      LEU   6 -13.445  -1.555  -0.880
   38   1HD2  LEU   6          1HD2      LEU   6 -12.335  -4.055   1.624
   39   2HD2  LEU   6          2HD2      LEU   6 -11.851  -5.258   0.430
   40   3HD2  LEU   6          3HD2      LEU   6 -13.560  -4.890   0.667
   41    H    PHE   7           H        PHE   7 -11.425  -4.650  -4.229
   42    HA   PHE   7           HA       PHE   7  -9.033  -3.031  -4.061
   43   1HB   PHE   7          1HB       PHE   7  -9.525  -5.759  -3.936
   44   2HB   PHE   7          2HB       PHE   7  -8.768  -5.530  -5.505
   45    HD1  PHE   7           HD1      PHE   7  -8.185  -3.821  -2.241
   46    HD2  PHE   7           HD2      PHE   7  -6.626  -6.279  -5.328
   47    HE1  PHE   7           HE1      PHE   7  -5.968  -3.774  -1.157
   48    HE2  PHE   7           HE2      PHE   7  -4.422  -6.242  -4.263
   49    HZ   PHE   7           HZ       PHE   7  -4.075  -5.002  -2.186
   50    H    VAL   8           H        VAL   8  -9.714  -1.423  -5.421
   51    HA   VAL   8           HA       VAL   8 -10.505  -1.881  -8.116
   52    HB   VAL   8           HB       VAL   8  -9.424   0.679  -6.928
   53   1HG1  VAL   8          1HG1      VAL   8 -10.815   1.752  -8.647
   54   2HG1  VAL   8          2HG1      VAL   8 -11.273   0.162  -9.257
   55   3HG1  VAL   8          3HG1      VAL   8  -9.595   0.693  -9.354
   56   1HG2  VAL   8          1HG2      VAL   8 -11.218  -0.209  -5.523
   57   2HG2  VAL   8          2HG2      VAL   8 -12.264  -0.347  -6.938
   58   3HG2  VAL   8          3HG2      VAL   8 -11.739   1.242  -6.382
   59    H    MET   9           H        MET   9  -7.508  -0.757  -6.574
   60    HA   MET   9           HA       MET   9  -6.041  -1.957  -8.780
   61   1HB   MET   9          1HB       MET   9  -5.717   0.871  -7.892
   62   2HB   MET   9          2HB       MET   9  -4.379  -0.015  -8.597
   63   1HG   MET   9          1HG       MET   9  -7.039   0.454  -9.870
   64   2HG   MET   9          2HG       MET   9  -5.557   1.324 -10.256
   65   1HE   MET   9          1HE       MET   9  -5.725   0.725 -12.860
   66   2HE   MET   9          2HE       MET   9  -7.279  -0.025 -12.489
   67   3HE   MET   9          3HE       MET   9  -6.083  -0.898 -13.450
   68    H    ARG  10           H        ARG  10  -4.460  -3.151  -8.115
   69    HA   ARG  10           HA       ARG  10  -3.484  -2.827  -5.384
   70   1HB   ARG  10          1HB       ARG  10  -2.482  -5.091  -5.738
   71   2HB   ARG  10          2HB       ARG  10  -4.234  -5.064  -5.817
   72   1HG   ARG  10          1HG       ARG  10  -3.935  -4.927  -8.353
   73   2HG   ARG  10          2HG       ARG  10  -2.263  -5.404  -8.047
   74   1HD   ARG  10          1HD       ARG  10  -3.451  -7.406  -8.493
   75   2HD   ARG  10          2HD       ARG  10  -3.190  -7.365  -6.748
   76    HE   ARG  10           HE       ARG  10  -5.741  -6.407  -7.865
   77   1HH1  ARG  10          1HH1      ARG  10  -3.989  -8.736  -5.889
   78   2HH1  ARG  10          2HH1      ARG  10  -5.426  -9.399  -5.178
   79   1HH2  ARG  10          1HH2      ARG  10  -7.636  -7.337  -6.950
   80   2HH2  ARG  10          2HH2      ARG  10  -7.492  -8.599  -5.760
   81    HA   PRO  11           HA       PRO  11   0.188  -1.113  -7.220
   82   1HB   PRO  11          1HB       PRO  11   1.636  -0.818  -4.968
   83   2HB   PRO  11          2HB       PRO  11   0.269   0.225  -5.329
   84   1HG   PRO  11          1HG       PRO  11   0.459  -2.053  -3.476
   85   2HG   PRO  11          2HG       PRO  11  -0.437  -0.535  -3.298
   86   1HD   PRO  11          1HD       PRO  11  -1.577  -2.954  -4.053
   87   2HD   PRO  11          2HD       PRO  11  -2.276  -1.355  -4.380
   88    H    GLN  12           H        GLN  12   2.436  -1.758  -7.499
   89    HA   GLN  12           HA       GLN  12   2.730  -4.612  -6.963
   90   1HB   GLN  12          1HB       GLN  12   3.665  -3.095  -9.384
   91   2HB   GLN  12          2HB       GLN  12   3.769  -4.827  -9.116
   92   1HG   GLN  12          1HG       GLN  12   1.293  -3.202  -9.532
   93   2HG   GLN  12          2HG       GLN  12   1.921  -4.511 -10.511
   94   1HE2  GLN  12          1HE2      GLN  12   2.574  -6.180  -8.493
   95   2HE2  GLN  12          2HE2      GLN  12   1.106  -6.736  -7.894
   96    H    ASP  13           H        ASP  13   5.188  -5.155  -7.717
   97    HA   ASP  13           HA       ASP  13   6.647  -4.349  -5.510
   98   1HB   ASP  13          1HB       ASP  13   8.345  -5.788  -6.807
   99   2HB   ASP  13          2HB       ASP  13   6.884  -6.563  -6.241
  100    H    GLY  14           H        GLY  14   9.064  -4.611  -7.057
  101   1HA   GLY  14          1HA       GLY  14   9.814  -2.754  -8.791
  102   2HA   GLY  14          2HA       GLY  14   9.539  -1.770  -7.366
  103    H    GLU  15           H        GLU  15  11.803  -2.827  -9.029
  104    HA   GLU  15           HA       GLU  15  13.568  -3.566  -6.807
  105   1HB   GLU  15          1HB       GLU  15  13.930  -3.957  -9.781
  106   2HB   GLU  15          2HB       GLU  15  15.163  -4.303  -8.578
  107   1HG   GLU  15          1HG       GLU  15  13.519  -5.920  -7.545
  108   2HG   GLU  15          2HG       GLU  15  12.540  -5.698  -9.000
  109    H    VAL  16           H        VAL  16  14.567  -1.788  -6.039
  110    HA   VAL  16           HA       VAL  16  15.188   0.320  -7.881
  111    HB   VAL  16           HB       VAL  16  14.371   1.928  -6.422
  112   1HG1  VAL  16          1HG1      VAL  16  12.410  -0.334  -6.243
  113   2HG1  VAL  16          2HG1      VAL  16  12.576   0.794  -7.587
  114   3HG1  VAL  16          3HG1      VAL  16  12.030   1.374  -6.014
  115   1HG2  VAL  16          1HG2      VAL  16  15.276   1.234  -4.329
  116   2HG2  VAL  16          2HG2      VAL  16  14.235  -0.192  -4.295
  117   3HG2  VAL  16          3HG2      VAL  16  13.536   1.416  -4.112
  118    H    THR  17           H        THR  17  16.780   1.658  -6.891
  119    HA   THR  17           HA       THR  17  18.780   0.036  -5.516
  120    HB   THR  17           HB       THR  17  19.425   2.732  -6.609
  121    HG1  THR  17           HG1      THR  17  18.303   0.766  -8.072
  122   1HG2  THR  17          1HG2      THR  17  21.155   1.419  -5.466
  123   2HG2  THR  17          2HG2      THR  17  21.550   1.666  -7.165
  124   3HG2  THR  17          3HG2      THR  17  20.923   0.108  -6.625
  125    H    VAL  18           H        VAL  18  19.921   0.995  -3.751
  126    HA   VAL  18           HA       VAL  18  18.382   2.493  -1.946
  127    HB   VAL  18           HB       VAL  18  21.319   2.499  -1.769
  128   1HG1  VAL  18          1HG1      VAL  18  20.893   2.395   0.628
  129   2HG1  VAL  18          2HG1      VAL  18  19.163   2.303   0.295
  130   3HG1  VAL  18          3HG1      VAL  18  20.072   3.751  -0.141
  131   1HG2  VAL  18          1HG2      VAL  18  20.708   0.175  -2.347
  132   2HG2  VAL  18          2HG2      VAL  18  19.655   0.143  -0.929
  133   3HG2  VAL  18          3HG2      VAL  18  21.400   0.322  -0.731
  134    H    GLY  19           H        GLY  19  17.869   4.289  -2.529
  135   1HA   GLY  19          1HA       GLY  19  18.651   6.638  -2.098
  136   2HA   GLY  19          2HA       GLY  19  19.901   6.288  -3.286
  137    H    GLY  20           H        GLY  20  17.082   4.726  -4.256
  138   1HA   GLY  20          1HA       GLY  20  16.425   6.977  -5.991
  139   2HA   GLY  20          2HA       GLY  20  15.956   5.307  -6.218
  140    H    SER  21           H        SER  21  14.028   5.146  -6.024
  141    HA   SER  21           HA       SER  21  12.664   5.803  -3.645
  142   1HB   SER  21          1HB       SER  21  10.765   6.684  -5.025
  143   2HB   SER  21          2HB       SER  21  12.146   7.733  -4.853
  144    HG   SER  21           HG       SER  21  11.272   7.547  -7.036
  145    H    ILE  22           H        ILE  22  10.514   4.894  -3.765
  146    HA   ILE  22           HA       ILE  22   9.905   3.028  -5.814
  147    HB   ILE  22           HB       ILE  22  10.920   1.690  -4.050
  148   1HG1  ILE  22          1HG1      ILE  22   9.110   0.040  -3.919
  149   2HG1  ILE  22          2HG1      ILE  22   7.994   1.246  -4.523
  150   1HG2  ILE  22          1HG2      ILE  22   8.594   2.578  -2.386
  151   2HG2  ILE  22          2HG2      ILE  22  10.299   2.890  -2.059
  152   3HG2  ILE  22          3HG2      ILE  22   9.673   1.242  -1.978
  153   1HD1  ILE  22          1HD1      ILE  22   8.668  -0.270  -6.291
  154   2HD1  ILE  22          2HD1      ILE  22  10.364   0.120  -6.001
  155   3HD1  ILE  22          3HD1      ILE  22   9.266   1.358  -6.606
  156    H    THR  23           H        THR  23   7.801   2.690  -5.895
  157    HA   THR  23           HA       THR  23   6.040   4.542  -4.508
  158    HB   THR  23           HB       THR  23   6.076   4.582  -7.521
  159    HG1  THR  23           HG1      THR  23   7.680   5.868  -5.715
  160   1HG2  THR  23          1HG2      THR  23   4.673   6.569  -7.237
  161   2HG2  THR  23          2HG2      THR  23   4.773   6.410  -5.483
  162   3HG2  THR  23          3HG2      THR  23   3.941   5.182  -6.435
  163    H    PHE  24           H        PHE  24   4.233   3.695  -4.129
  164    HA   PHE  24           HA       PHE  24   3.179   1.533  -5.846
  165   1HB   PHE  24          1HB       PHE  24   2.682   1.802  -2.880
  166   2HB   PHE  24          2HB       PHE  24   2.313   0.449  -3.920
  167    HD1  PHE  24           HD1      PHE  24   4.058  -1.077  -4.667
  168    HD2  PHE  24           HD2      PHE  24   4.891   2.123  -1.991
  169    HE1  PHE  24           HE1      PHE  24   6.197  -2.127  -4.086
  170    HE2  PHE  24           HE2      PHE  24   7.040   1.077  -1.408
  171    HZ   PHE  24           HZ       PHE  24   7.707  -1.024  -2.448
  172    H    SER  25           H        SER  25   1.066   1.673  -6.262
  173    HA   SER  25           HA       SER  25  -0.504   3.857  -5.193
  174   1HB   SER  25          1HB       SER  25  -1.489   3.748  -7.695
  175   2HB   SER  25          2HB       SER  25  -0.209   4.840  -7.184
  176    HG   SER  25           HG       SER  25   1.217   3.736  -8.324
  177    H    ALA  26           H        ALA  26  -2.202   3.195  -4.355
  178    HA   ALA  26           HA       ALA  26  -3.378   0.599  -5.129
  179   1HB   ALA  26          1HB       ALA  26  -1.945   0.972  -2.860
  180   2HB   ALA  26          2HB       ALA  26  -3.229  -0.216  -3.025
  181   3HB   ALA  26          3HB       ALA  26  -3.568   1.348  -2.285
  182    H    ARG  27           H        ARG  27  -5.418   0.857  -5.811
  183    HA   ARG  27           HA       ARG  27  -6.944   3.137  -4.750
  184   1HB   ARG  27          1HB       ARG  27  -7.457   1.465  -7.210
  185   2HB   ARG  27          2HB       ARG  27  -8.339   2.899  -6.731
  186   1HG   ARG  27          1HG       ARG  27  -6.382   4.277  -7.067
  187   2HG   ARG  27          2HG       ARG  27  -5.416   2.847  -7.444
  188   1HD   ARG  27          1HD       ARG  27  -7.009   2.384  -9.324
  189   2HD   ARG  27          2HD       ARG  27  -7.729   3.972  -9.016
  190    HE   ARG  27           HE       ARG  27  -5.054   3.429 -10.111
  191   1HH1  ARG  27          1HH1      ARG  27  -7.437   5.824  -9.119
  192   2HH1  ARG  27          2HH1      ARG  27  -6.741   7.078 -10.094
  193   1HH2  ARG  27          1HH2      ARG  27  -4.177   5.072 -11.389
  194   2HH2  ARG  27          2HH2      ARG  27  -4.902   6.658 -11.401
  195    H    VAL  28           H        VAL  28  -8.663   2.776  -3.467
  196    HA   VAL  28           HA       VAL  28  -9.798   0.084  -3.343
  197    HB   VAL  28           HB       VAL  28  -9.525   1.865  -0.934
  198   1HG1  VAL  28          1HG1      VAL  28  -9.989  -1.105  -1.126
  199   2HG1  VAL  28          2HG1      VAL  28 -11.292   0.079  -1.027
  200   3HG1  VAL  28          3HG1      VAL  28 -10.139  -0.080   0.304
  201   1HG2  VAL  28          1HG2      VAL  28  -7.721  -0.430  -1.693
  202   2HG2  VAL  28          2HG2      VAL  28  -7.615   0.570  -0.242
  203   3HG2  VAL  28          3HG2      VAL  28  -7.294   1.277  -1.827
  204    H    ALA  29           H        ALA  29 -11.780   0.043  -3.609
  205    HA   ALA  29           HA       ALA  29 -13.463   2.110  -4.329
  206   1HB   ALA  29          1HB       ALA  29 -13.772  -0.241  -4.961
  207   2HB   ALA  29          2HB       ALA  29 -15.233   0.470  -4.275
  208   3HB   ALA  29          3HB       ALA  29 -14.236  -0.607  -3.299
  209    H    GLY  30           H        GLY  30 -13.999   3.680  -3.080
  210   1HA   GLY  30          1HA       GLY  30 -14.461   3.825  -0.361
  211   2HA   GLY  30          2HA       GLY  30 -15.306   4.812  -1.549
  212    H    ALA  31           H        ALA  31 -17.038   3.418  -2.784
  213    HA   ALA  31           HA       ALA  31 -18.824   2.034  -2.916
  214   1HB   ALA  31          1HB       ALA  31 -18.874   0.017  -1.476
  215   2HB   ALA  31          2HB       ALA  31 -17.417   0.624  -0.682
  216   3HB   ALA  31          3HB       ALA  31 -17.394   0.235  -2.403
  217    H    SER  32           H        SER  32 -20.662   1.033  -1.614
  218    HA   SER  32           HA       SER  32 -21.588   2.967   0.381
  219   1HB   SER  32          1HB       SER  32 -23.837   1.849  -0.124
  220   2HB   SER  32          2HB       SER  32 -23.124   2.799  -1.429
  221    HG   SER  32           HG       SER  32 -23.932   0.697  -2.057
  222    H    LEU  33           H        LEU  33 -19.753   0.616   0.653
  223    HA   LEU  33           HA       LEU  33 -20.759  -1.460   2.130
  224   1HB   LEU  33          1HB       LEU  33 -18.523  -1.726   3.059
  225   2HB   LEU  33          2HB       LEU  33 -18.479  -1.378   1.343
  226    HG   LEU  33           HG       LEU  33 -17.251   0.014   3.591
  227   1HD1  LEU  33          1HD1      LEU  33 -16.785   0.127   0.614
  228   2HD1  LEU  33          2HD1      LEU  33 -16.079  -1.053   1.716
  229   3HD1  LEU  33          3HD1      LEU  33 -15.672   0.656   1.875
  230   1HD2  LEU  33          1HD2      LEU  33 -17.509   2.239   3.019
  231   2HD2  LEU  33          2HD2      LEU  33 -19.159   1.615   2.903
  232   3HD2  LEU  33          3HD2      LEU  33 -18.199   1.869   1.443
  233    H    LEU  34           H        LEU  34 -20.187  -1.825   4.552
  234    HA   LEU  34           HA       LEU  34 -22.065  -0.481   6.069
  235   1HB   LEU  34          1HB       LEU  34 -20.843  -2.692   6.541
  236   2HB   LEU  34          2HB       LEU  34 -19.602  -1.698   7.284
  237    HG   LEU  34           HG       LEU  34 -21.373  -0.757   8.784
  238   1HD1  LEU  34          1HD1      LEU  34 -23.460  -1.956   9.008
  239   2HD1  LEU  34          2HD1      LEU  34 -23.015  -3.021   7.676
  240   3HD1  LEU  34          3HD1      LEU  34 -23.291  -1.305   7.376
  241   1HD2  LEU  34          1HD2      LEU  34 -19.825  -2.503   9.519
  242   2HD2  LEU  34          2HD2      LEU  34 -20.937  -3.737   8.931
  243   3HD2  LEU  34          3HD2      LEU  34 -21.412  -2.688  10.268
  244    H    LYS  35           H        LYS  35 -18.557  -0.079   6.203
  245    HA   LYS  35           HA       LYS  35 -18.907   2.765   6.198
  246   1HB   LYS  35          1HB       LYS  35 -17.137   2.973   8.080
  247   2HB   LYS  35          2HB       LYS  35 -18.811   2.698   8.524
  248   1HG   LYS  35          1HG       LYS  35 -17.444   1.356   9.927
  249   2HG   LYS  35          2HG       LYS  35 -18.276   0.283   8.806
  250   1HD   LYS  35          1HD       LYS  35 -16.342  -0.201   7.633
  251   2HD   LYS  35          2HD       LYS  35 -15.524   1.270   8.163
  252   1HE   LYS  35          1HE       LYS  35 -14.666  -0.840   9.199
  253   2HE   LYS  35          2HE       LYS  35 -15.190   0.384  10.355
  254   1HZ   LYS  35          1HZ       LYS  35 -16.013  -1.700  11.087
  255   2HZ   LYS  35          2HZ       LYS  35 -16.630  -2.090   9.559
  256   3HZ   LYS  35          3HZ       LYS  35 -17.349  -0.853  10.468
  257    HA   PRO  36           HA       PRO  36 -15.641   3.005   3.364
  258   1HB   PRO  36          1HB       PRO  36 -14.016   4.406   5.455
  259   2HB   PRO  36          2HB       PRO  36 -14.253   4.828   3.754
  260   1HG   PRO  36          1HG       PRO  36 -15.592   6.109   5.653
  261   2HG   PRO  36          2HG       PRO  36 -16.385   5.670   4.129
  262   1HD   PRO  36          1HD       PRO  36 -16.696   4.484   6.835
  263   2HD   PRO  36          2HD       PRO  36 -17.870   4.594   5.509
  264    HA   PRO  37           HA       PRO  37 -13.242  -0.619   3.953
  265   1HB   PRO  37          1HB       PRO  37 -11.034   0.546   2.494
  266   2HB   PRO  37          2HB       PRO  37 -12.050  -0.826   2.077
  267   1HG   PRO  37          1HG       PRO  37 -12.133   1.692   0.890
  268   2HG   PRO  37          2HG       PRO  37 -13.351   0.420   0.739
  269   1HD   PRO  37          1HD       PRO  37 -13.519   2.944   2.127
  270   2HD   PRO  37          2HD       PRO  37 -14.796   1.746   1.826
  271    H    VAL  38           H        VAL  38 -11.796  -1.348   5.328
  272    HA   VAL  38           HA       VAL  38  -9.982   0.528   6.619
  273    HB   VAL  38           HB       VAL  38 -10.099  -2.301   7.443
  274   1HG1  VAL  38          1HG1      VAL  38  -9.703  -1.319   9.683
  275   2HG1  VAL  38          2HG1      VAL  38  -9.715   0.276   8.933
  276   3HG1  VAL  38          3HG1      VAL  38  -8.477  -0.897   8.487
  277   1HG2  VAL  38          1HG2      VAL  38 -12.447  -1.822   7.331
  278   2HG2  VAL  38          2HG2      VAL  38 -12.214  -0.321   8.228
  279   3HG2  VAL  38          3HG2      VAL  38 -11.945  -1.873   9.019
  280    H    VAL  39           H        VAL  39  -8.373   0.610   5.416
  281    HA   VAL  39           HA       VAL  39  -7.228  -1.783   4.238
  282    HB   VAL  39           HB       VAL  39  -6.405   0.942   3.366
  283   1HG1  VAL  39          1HG1      VAL  39  -5.107  -0.898   2.581
  284   2HG1  VAL  39          2HG1      VAL  39  -6.013  -0.220   1.226
  285   3HG1  VAL  39          3HG1      VAL  39  -6.550  -1.719   1.985
  286   1HG2  VAL  39          1HG2      VAL  39  -8.848  -0.457   2.291
  287   2HG2  VAL  39          2HG2      VAL  39  -8.106   0.992   1.610
  288   3HG2  VAL  39          3HG2      VAL  39  -8.832   1.042   3.218
  289    H    LYS  40           H        LYS  40  -5.670  -2.356   5.414
  290    HA   LYS  40           HA       LYS  40  -3.894  -0.452   6.619
  291   1HB   LYS  40          1HB       LYS  40  -3.032  -2.438   7.874
  292   2HB   LYS  40          2HB       LYS  40  -4.674  -1.993   8.251
  293   1HG   LYS  40          1HG       LYS  40  -4.852  -4.268   8.092
  294   2HG   LYS  40          2HG       LYS  40  -5.253  -3.777   6.445
  295   1HD   LYS  40          1HD       LYS  40  -3.727  -5.449   6.021
  296   2HD   LYS  40          2HD       LYS  40  -2.662  -4.043   6.067
  297   1HE   LYS  40          1HE       LYS  40  -1.539  -5.565   7.395
  298   2HE   LYS  40          2HE       LYS  40  -2.431  -4.617   8.580
  299   1HZ   LYS  40          1HZ       LYS  40  -2.594  -7.005   8.992
  300   2HZ   LYS  40          2HZ       LYS  40  -3.315  -7.230   7.473
  301   3HZ   LYS  40          3HZ       LYS  40  -4.115  -6.329   8.675
  302    H    TRP  41           H        TRP  41  -2.137  -0.141   5.902
  303    HA   TRP  41           HA       TRP  41  -0.974  -1.768   3.817
  304   1HB   TRP  41          1HB       TRP  41  -0.267   0.845   5.093
  305   2HB   TRP  41          2HB       TRP  41   0.789   0.044   3.931
  306    HD1  TRP  41           HD1      TRP  41  -2.580   1.802   4.194
  307    HE1  TRP  41           HE1      TRP  41  -3.256   2.497   1.760
  308    HE3  TRP  41           HE3      TRP  41   0.954  -0.761   1.587
  309    HZ2  TRP  41           HZ2      TRP  41  -2.453   1.901  -0.856
  310    HZ3  TRP  41           HZ3      TRP  41   0.932  -0.696  -0.866
  311    HH2  TRP  41           HH2      TRP  41  -0.759   0.600  -2.064
  312    H    PHE  42           H        PHE  42   0.885  -2.725   3.876
  313    HA   PHE  42           HA       PHE  42   2.420  -2.779   6.354
  314   1HB   PHE  42          1HB       PHE  42   1.076  -4.966   5.922
  315   2HB   PHE  42          2HB       PHE  42   2.181  -5.215   4.576
  316    HD1  PHE  42           HD1      PHE  42   4.435  -5.882   4.939
  317    HD2  PHE  42           HD2      PHE  42   1.898  -5.016   8.236
  318    HE1  PHE  42           HE1      PHE  42   6.071  -6.907   6.458
  319    HE2  PHE  42           HE2      PHE  42   3.532  -6.043   9.769
  320    HZ   PHE  42           HZ       PHE  42   5.578  -7.003   8.914
  321    H    LYS  43           H        LYS  43   4.561  -2.670   5.955
  322    HA   LYS  43           HA       LYS  43   5.182  -1.716   3.264
  323   1HB   LYS  43          1HB       LYS  43   5.504  -0.088   5.114
  324   2HB   LYS  43          2HB       LYS  43   6.612  -1.218   5.909
  325   1HG   LYS  43          1HG       LYS  43   8.223  -0.975   4.202
  326   2HG   LYS  43          2HG       LYS  43   7.084  -0.140   3.151
  327   1HD   LYS  43          1HD       LYS  43   7.030   1.736   4.735
  328   2HD   LYS  43          2HD       LYS  43   8.207   0.893   5.748
  329   1HE   LYS  43          1HE       LYS  43   9.800   0.895   3.913
  330   2HE   LYS  43          2HE       LYS  43   8.626   1.713   2.885
  331   1HZ   LYS  43          1HZ       LYS  43  10.226   3.266   3.788
  332   2HZ   LYS  43          2HZ       LYS  43   9.811   2.813   5.375
  333   3HZ   LYS  43          3HZ       LYS  43   8.678   3.596   4.387
  334    H    GLY  44           H        GLY  44   7.553  -2.315   2.633
  335   1HA   GLY  44          1HA       GLY  44   8.656  -4.559   2.234
  336   2HA   GLY  44          2HA       GLY  44   9.645  -3.376   3.050
  337    H    LYS  45           H        LYS  45  10.883  -5.300   3.836
  338    HA   LYS  45           HA       LYS  45   9.909  -7.716   4.512
  339   1HB   LYS  45          1HB       LYS  45  12.322  -6.241   5.029
  340   2HB   LYS  45          2HB       LYS  45  11.995  -7.379   6.328
  341   1HG   LYS  45          1HG       LYS  45  11.845  -9.192   4.699
  342   2HG   LYS  45          2HG       LYS  45  12.160  -8.045   3.395
  343   1HD   LYS  45          1HD       LYS  45  14.221  -9.108   3.881
  344   2HD   LYS  45          2HD       LYS  45  14.318  -7.481   4.554
  345   1HE   LYS  45          1HE       LYS  45  15.235  -9.061   6.130
  346   2HE   LYS  45          2HE       LYS  45  13.732  -8.406   6.770
  347   1HZ   LYS  45          1HZ       LYS  45  14.086 -10.904   6.955
  348   2HZ   LYS  45          2HZ       LYS  45  13.786 -10.962   5.286
  349   3HZ   LYS  45          3HZ       LYS  45  12.595 -10.380   6.344
  350    H    TRP  46           H        TRP  46   9.307  -5.037   6.705
  351    HA   TRP  46           HA       TRP  46   8.061  -6.870   8.562
  352   1HB   TRP  46          1HB       TRP  46   9.425  -5.874  10.438
  353   2HB   TRP  46          2HB       TRP  46  10.193  -7.088   9.435
  354    HD1  TRP  46           HD1      TRP  46  12.037  -6.189   7.672
  355    HE1  TRP  46           HE1      TRP  46  13.492  -4.082   7.683
  356    HE3  TRP  46           HE3      TRP  46   9.512  -3.525  11.211
  357    HZ2  TRP  46           HZ2      TRP  46  13.575  -1.578   9.068
  358    HZ3  TRP  46           HZ3      TRP  46  10.334  -1.289  11.829
  359    HH2  TRP  46           HH2      TRP  46  12.309  -0.341  10.779
  360    H    VAL  47           H        VAL  47   8.059  -3.894   7.227
  361    HA   VAL  47           HA       VAL  47   7.667  -2.324   9.524
  362    HB   VAL  47           HB       VAL  47   7.469  -0.875   7.041
  363   1HG1  VAL  47          1HG1      VAL  47   9.469  -0.891   9.275
  364   2HG1  VAL  47          2HG1      VAL  47   8.002   0.085   9.201
  365   3HG1  VAL  47          3HG1      VAL  47   9.312   0.373   8.054
  366   1HG2  VAL  47          1HG2      VAL  47   9.868  -2.663   7.367
  367   2HG2  VAL  47          2HG2      VAL  47   9.887  -1.190   6.403
  368   3HG2  VAL  47          3HG2      VAL  47   8.808  -2.510   5.962
  369    H    ASP  48           H        ASP  48   6.009  -1.284   9.938
  370    HA   ASP  48           HA       ASP  48   3.465  -1.673   8.592
  371   1HB   ASP  48          1HB       ASP  48   3.280  -0.240  11.053
  372   2HB   ASP  48          2HB       ASP  48   2.652  -1.827  10.653
  373    H    LEU  49           H        LEU  49   3.109   0.004   7.153
  374    HA   LEU  49           HA       LEU  49   4.472   2.399   7.171
  375   1HB   LEU  49          1HB       LEU  49   1.792   1.754   5.966
  376   2HB   LEU  49          2HB       LEU  49   2.626   3.268   5.714
  377    HG   LEU  49           HG       LEU  49   4.540   1.634   4.826
  378   1HD1  LEU  49          1HD1      LEU  49   3.051  -0.371   5.278
  379   2HD1  LEU  49          2HD1      LEU  49   3.704  -0.205   3.648
  380   3HD1  LEU  49          3HD1      LEU  49   2.024   0.237   3.968
  381   1HD2  LEU  49          1HD2      LEU  49   3.427   3.473   3.661
  382   2HD2  LEU  49          2HD2      LEU  49   2.094   2.372   3.274
  383   3HD2  LEU  49          3HD2      LEU  49   3.710   2.071   2.627
  384    H    SER  50           H        SER  50   1.402   1.669   8.721
  385    HA   SER  50           HA       SER  50   0.590   4.349   8.962
  386   1HB   SER  50          1HB       SER  50  -0.831   2.203   9.223
  387   2HB   SER  50          2HB       SER  50  -0.229   2.171  10.880
  388    HG   SER  50           HG       SER  50  -1.274   4.580   9.926
  389    H    SER  51           H        SER  51   2.923   2.439  10.490
  390    HA   SER  51           HA       SER  51   2.962   3.962  12.887
  391   1HB   SER  51          1HB       SER  51   3.470   1.455  12.655
  392   2HB   SER  51          2HB       SER  51   5.044   1.981  12.082
  393    HG   SER  51           HG       SER  51   4.692   1.533  14.458
  394    H    LYS  52           H        LYS  52   4.472   3.909   9.862
  395    HA   LYS  52           HA       LYS  52   6.764   5.465  10.730
  396   1HB   LYS  52          1HB       LYS  52   6.580   4.438   7.966
  397   2HB   LYS  52          2HB       LYS  52   7.939   4.492   9.059
  398   1HG   LYS  52          1HG       LYS  52   5.691   2.518   9.108
  399   2HG   LYS  52          2HG       LYS  52   7.338   2.218   8.558
  400   1HD   LYS  52          1HD       LYS  52   6.621   3.025  11.375
  401   2HD   LYS  52          2HD       LYS  52   6.830   1.350  10.854
  402   1HE   LYS  52          1HE       LYS  52   9.137   1.866  10.189
  403   2HE   LYS  52          2HE       LYS  52   8.917   3.530  10.723
  404   1HZ   LYS  52          1HZ       LYS  52  10.086   2.139  12.349
  405   2HZ   LYS  52          2HZ       LYS  52   8.713   1.148  12.491
  406   3HZ   LYS  52          3HZ       LYS  52   8.648   2.773  12.977
  407    H    VAL  53           H        VAL  53   4.789   5.267   7.893
  408    HA   VAL  53           HA       VAL  53   4.784   6.957   6.186
  409    HB   VAL  53           HB       VAL  53   2.478   6.854   8.103
  410   1HG1  VAL  53          1HG1      VAL  53   2.633   8.357   5.491
  411   2HG1  VAL  53          2HG1      VAL  53   2.071   8.957   7.055
  412   3HG1  VAL  53          3HG1      VAL  53   1.113   7.761   6.164
  413   1HG2  VAL  53          1HG2      VAL  53   3.058   4.858   6.859
  414   2HG2  VAL  53          2HG2      VAL  53   2.929   5.758   5.347
  415   3HG2  VAL  53          3HG2      VAL  53   1.500   5.508   6.348
  416    H    GLY  54           H        GLY  54   6.268   8.385   6.259
  417   1HA   GLY  54          1HA       GLY  54   5.498  11.045   7.103
  418   2HA   GLY  54          2HA       GLY  54   6.925  10.424   7.920
  419    H    GLN  55           H        GLN  55   8.699  11.293   7.060
  420    HA   GLN  55           HA       GLN  55   8.679  12.741   4.637
  421   1HB   GLN  55          1HB       GLN  55  10.914  11.843   6.439
  422   2HB   GLN  55          2HB       GLN  55  11.167  12.885   5.046
  423   1HG   GLN  55          1HG       GLN  55   9.864  14.621   5.989
  424   2HG   GLN  55          2HG       GLN  55   9.274  13.567   7.273
  425   1HE2  GLN  55          1HE2      GLN  55  12.041  15.313   6.052
  426   2HE2  GLN  55          2HE2      GLN  55  12.934  15.318   7.538
  427    H    HIS  56           H        HIS  56   9.898   9.516   5.370
  428    HA   HIS  56           HA       HIS  56  11.191   9.299   2.761
  429   1HB   HIS  56          1HB       HIS  56  11.981   7.112   3.626
  430   2HB   HIS  56          2HB       HIS  56  12.402   8.450   4.686
  431    HD1  HIS  56           HD1      HIS  56  10.274   5.428   4.451
  432    HD2  HIS  56           HD2      HIS  56  11.143   8.401   7.211
  433    HE1  HIS  56           HE1      HIS  56   9.123   4.723   6.574
  434    HE2  HIS  56           HE2      HIS  56   9.870   6.417   8.302
  435    H    LEU  57           H        LEU  57   8.475   8.084   4.447
  436    HA   LEU  57           HA       LEU  57   7.390   6.847   2.025
  437   1HB   LEU  57          1HB       LEU  57   8.111   5.046   3.407
  438   2HB   LEU  57          2HB       LEU  57   7.583   5.801   4.862
  439    HG   LEU  57           HG       LEU  57   6.367   3.720   3.390
  440   1HD1  LEU  57          1HD1      LEU  57   4.727   3.852   5.266
  441   2HD1  LEU  57          2HD1      LEU  57   5.583   5.292   5.813
  442   3HD1  LEU  57          3HD1      LEU  57   6.426   3.748   5.722
  443   1HD2  LEU  57          1HD2      LEU  57   4.071   4.512   3.103
  444   2HD2  LEU  57          2HD2      LEU  57   5.177   5.344   2.009
  445   3HD2  LEU  57          3HD2      LEU  57   4.587   6.162   3.455
  446    H    GLN  58           H        GLN  58   5.987   8.531   1.626
  447    HA   GLN  58           HA       GLN  58   4.074   9.177   3.676
  448   1HB   GLN  58          1HB       GLN  58   4.104  10.080   0.789
  449   2HB   GLN  58          2HB       GLN  58   3.192  10.779   2.115
  450   1HG   GLN  58          1HG       GLN  58   4.867  12.281   1.869
  451   2HG   GLN  58          2HG       GLN  58   5.544  11.259   3.116
  452   1HE2  GLN  58          1HE2      GLN  58   7.343  10.059   2.656
  453   2HE2  GLN  58          2HE2      GLN  58   8.244  10.222   1.186
  454    H    LEU  59           H        LEU  59   2.675   7.701   3.881
  455    HA   LEU  59           HA       LEU  59   1.478   6.381   1.573
  456   1HB   LEU  59          1HB       LEU  59   2.264   5.013   3.578
  457   2HB   LEU  59          2HB       LEU  59   1.091   5.858   4.546
  458    HG   LEU  59           HG       LEU  59   0.696   3.630   2.603
  459   1HD1  LEU  59          1HD1      LEU  59  -0.915   3.116   4.542
  460   2HD1  LEU  59          2HD1      LEU  59  -0.029   4.399   5.391
  461   3HD1  LEU  59          3HD1      LEU  59   0.833   2.965   4.789
  462   1HD2  LEU  59          1HD2      LEU  59  -1.471   5.608   3.317
  463   2HD2  LEU  59          2HD2      LEU  59  -1.704   4.052   2.518
  464   3HD2  LEU  59          3HD2      LEU  59  -0.799   5.337   1.707
  465    H    HIS  60           H        HIS  60   0.335   8.107   0.828
  466    HA   HIS  60           HA       HIS  60  -1.453   9.468   2.595
  467   1HB   HIS  60          1HB       HIS  60  -0.605  10.049  -0.221
  468   2HB   HIS  60          2HB       HIS  60  -1.894  10.901   0.580
  469    HD1  HIS  60           HD1      HIS  60  -1.020  12.005   3.031
  470    HD2  HIS  60           HD2      HIS  60   1.718  11.344  -0.030
  471    HE1  HIS  60           HE1      HIS  60   0.934  13.504   3.533
  472    HE2  HIS  60           HE2      HIS  60   2.469  13.244   1.549
  473    H    ASP  61           H        ASP  61  -3.467   9.854   1.832
  474    HA   ASP  61           HA       ASP  61  -4.660   7.823   0.198
  475   1HB   ASP  61          1HB       ASP  61  -6.560   7.707   1.705
  476   2HB   ASP  61          2HB       ASP  61  -5.097   7.049   2.413
  477    H    SER  62           H        SER  62  -5.380   8.785  -1.310
  478    HA   SER  62           HA       SER  62  -6.866  11.278  -1.038
  479   1HB   SER  62          1HB       SER  62  -6.126  10.146  -3.688
  480   2HB   SER  62          2HB       SER  62  -6.388  11.824  -3.245
  481    HG   SER  62           HG       SER  62  -4.073  10.524  -3.378
  482    H    TYR  63           H        TYR  63  -8.956  11.354  -1.996
  483    HA   TYR  63           HA       TYR  63  -9.927   8.860  -2.929
  484   1HB   TYR  63          1HB       TYR  63 -11.627   8.605  -1.393
  485   2HB   TYR  63          2HB       TYR  63 -10.233   8.958  -0.423
  486    HD1  TYR  63           HD1      TYR  63 -10.034  11.108   0.699
  487    HD2  TYR  63           HD2      TYR  63 -13.557  10.039  -1.420
  488    HE1  TYR  63           HE1      TYR  63 -11.244  12.924   1.820
  489    HE2  TYR  63           HE2      TYR  63 -14.789  11.852  -0.297
  490    HH   TYR  63           HH       TYR  63 -13.261  14.330   1.391
  491    H    ASP  64           H        ASP  64 -10.721   9.283  -4.778
  492    HA   ASP  64           HA       ASP  64 -12.345  11.638  -5.158
  493   1HB   ASP  64          1HB       ASP  64 -12.495  10.375  -7.485
  494   2HB   ASP  64          2HB       ASP  64 -11.208  11.480  -7.074
  495    H    ARG  65           H        ARG  65 -14.118  11.345  -4.185
  496    HA   ARG  65           HA       ARG  65 -15.249   8.804  -3.656
  497   1HB   ARG  65          1HB       ARG  65 -15.322  11.257  -2.478
  498   2HB   ARG  65          2HB       ARG  65 -16.932  11.156  -3.188
  499   1HG   ARG  65          1HG       ARG  65 -15.744   8.987  -1.519
  500   2HG   ARG  65          2HG       ARG  65 -16.692  10.311  -0.838
  501   1HD   ARG  65          1HD       ARG  65 -17.747   8.684  -3.114
  502   2HD   ARG  65          2HD       ARG  65 -17.888   8.082  -1.453
  503    HE   ARG  65           HE       ARG  65 -19.039  10.320  -1.023
  504   1HH1  ARG  65          1HH1      ARG  65 -19.074   8.779  -4.175
  505   2HH1  ARG  65          2HH1      ARG  65 -20.643   9.403  -4.603
  506   1HH2  ARG  65          1HH2      ARG  65 -21.082  11.164  -1.601
  507   2HH2  ARG  65          2HH2      ARG  65 -21.777  10.759  -3.137
  508    H    ALA  66           H        ALA  66 -15.963  11.348  -5.887
  509    HA   ALA  66           HA       ALA  66 -18.325  10.361  -6.994
  510   1HB   ALA  66          1HB       ALA  66 -16.121  11.887  -8.365
  511   2HB   ALA  66          2HB       ALA  66 -17.470  12.598  -7.482
  512   3HB   ALA  66          3HB       ALA  66 -17.768  11.694  -8.967
  513    H    SER  67           H        SER  67 -14.997   9.515  -7.455
  514    HA   SER  67           HA       SER  67 -15.631   7.589  -9.535
  515   1HB   SER  67          1HB       SER  67 -12.966   7.945  -8.176
  516   2HB   SER  67          2HB       SER  67 -13.292   7.280  -9.775
  517    HG   SER  67           HG       SER  67 -12.646   9.728  -9.231
  518    H    LYS  68           H        LYS  68 -15.557   7.851  -6.226
  519    HA   LYS  68           HA       LYS  68 -15.984   6.411  -4.524
  520   1HB   LYS  68          1HB       LYS  68 -17.454   5.450  -6.456
  521   2HB   LYS  68          2HB       LYS  68 -16.227   4.197  -6.514
  522   1HG   LYS  68          1HG       LYS  68 -16.685   3.963  -3.988
  523   2HG   LYS  68          2HG       LYS  68 -18.177   4.833  -4.348
  524   1HD   LYS  68          1HD       LYS  68 -18.876   2.662  -4.597
  525   2HD   LYS  68          2HD       LYS  68 -18.390   3.044  -6.247
  526   1HE   LYS  68          1HE       LYS  68 -16.540   1.750  -4.242
  527   2HE   LYS  68          2HE       LYS  68 -17.577   0.825  -5.337
  528   1HZ   LYS  68          1HZ       LYS  68 -15.565   0.966  -6.470
  529   2HZ   LYS  68          2HZ       LYS  68 -15.296   2.575  -6.012
  530   3HZ   LYS  68          3HZ       LYS  68 -16.478   2.214  -7.172
  531    H    VAL  69           H        VAL  69 -13.314   6.882  -5.470
  532    HA   VAL  69           HA       VAL  69 -12.048   4.366  -4.667
  533    HB   VAL  69           HB       VAL  69 -10.608   6.380  -6.339
  534   1HG1  VAL  69          1HG1      VAL  69 -10.312   3.414  -5.957
  535   2HG1  VAL  69          2HG1      VAL  69  -9.317   4.683  -5.236
  536   3HG1  VAL  69          3HG1      VAL  69  -9.296   4.427  -6.982
  537   1HG2  VAL  69          1HG2      VAL  69 -12.341   4.152  -7.410
  538   2HG2  VAL  69          2HG2      VAL  69 -11.178   5.077  -8.364
  539   3HG2  VAL  69          3HG2      VAL  69 -12.576   5.883  -7.654
  540    H    TYR  70           H        TYR  70 -10.826   4.539  -2.965
  541    HA   TYR  70           HA       TYR  70  -9.504   7.042  -2.310
  542   1HB   TYR  70          1HB       TYR  70  -9.466   4.394  -0.875
  543   2HB   TYR  70          2HB       TYR  70  -8.542   5.790  -0.388
  544    HD1  TYR  70           HD1      TYR  70  -9.396   7.153   1.249
  545    HD2  TYR  70           HD2      TYR  70 -12.057   4.789  -1.061
  546    HE1  TYR  70           HE1      TYR  70 -11.274   7.908   2.652
  547    HE2  TYR  70           HE2      TYR  70 -13.943   5.523   0.329
  548    HH   TYR  70           HH       TYR  70 -14.429   6.457   2.432
  549    H    LEU  71           H        LEU  71  -7.657   7.340  -3.089
  550    HA   LEU  71           HA       LEU  71  -6.074   5.085  -4.062
  551   1HB   LEU  71          1HB       LEU  71  -6.479   6.609  -5.879
  552   2HB   LEU  71          2HB       LEU  71  -6.031   7.990  -4.892
  553    HG   LEU  71           HG       LEU  71  -3.717   7.342  -4.898
  554   1HD1  LEU  71          1HD1      LEU  71  -3.927   4.939  -4.751
  555   2HD1  LEU  71          2HD1      LEU  71  -2.924   5.362  -6.141
  556   3HD1  LEU  71          3HD1      LEU  71  -4.600   4.871  -6.382
  557   1HD2  LEU  71          1HD2      LEU  71  -4.512   8.599  -6.832
  558   2HD2  LEU  71          2HD2      LEU  71  -4.862   7.087  -7.673
  559   3HD2  LEU  71          3HD2      LEU  71  -3.198   7.509  -7.267
  560    H    PHE  72           H        PHE  72  -4.961   4.504  -2.451
  561    HA   PHE  72           HA       PHE  72  -3.598   6.339  -0.716
  562   1HB   PHE  72          1HB       PHE  72  -3.553   3.350  -0.906
  563   2HB   PHE  72          2HB       PHE  72  -2.686   4.255   0.308
  564    HD1  PHE  72           HD1      PHE  72  -6.030   3.314  -0.927
  565    HD2  PHE  72           HD2      PHE  72  -3.786   5.022   2.255
  566    HE1  PHE  72           HE1      PHE  72  -8.006   3.181   0.535
  567    HE2  PHE  72           HE2      PHE  72  -5.756   4.904   3.720
  568    HZ   PHE  72           HZ       PHE  72  -7.870   3.979   2.860
  569    H    GLU  73           H        GLU  73  -1.835   7.145  -1.271
  570    HA   GLU  73           HA       GLU  73  -0.261   5.986  -3.453
  571   1HB   GLU  73          1HB       GLU  73   0.132   8.800  -2.577
  572   2HB   GLU  73          2HB       GLU  73   0.424   8.068  -4.146
  573   1HG   GLU  73          1HG       GLU  73  -1.911   8.069  -4.654
  574   2HG   GLU  73          2HG       GLU  73  -2.321   8.580  -3.014
  575    H    LEU  74           H        LEU  74   1.513   5.192  -2.912
  576    HA   LEU  74           HA       LEU  74   2.813   5.827  -0.394
  577   1HB   LEU  74          1HB       LEU  74   3.463   3.781  -2.491
  578   2HB   LEU  74          2HB       LEU  74   4.359   3.990  -1.008
  579    HG   LEU  74           HG       LEU  74   2.904   2.087  -0.792
  580   1HD1  LEU  74          1HD1      LEU  74   3.290   3.634   1.100
  581   2HD1  LEU  74          2HD1      LEU  74   1.789   2.705   1.213
  582   3HD1  LEU  74          3HD1      LEU  74   1.745   4.399   0.721
  583   1HD2  LEU  74          1HD2      LEU  74   0.485   2.284  -0.925
  584   2HD2  LEU  74          2HD2      LEU  74   1.232   2.688  -2.469
  585   3HD2  LEU  74          3HD2      LEU  74   0.640   3.970  -1.413
  586    H    HIS  75           H        HIS  75   4.135   7.364  -0.483
  587    HA   HIS  75           HA       HIS  75   5.929   7.475  -2.821
  588   1HB   HIS  75          1HB       HIS  75   5.262   9.647  -0.803
  589   2HB   HIS  75          2HB       HIS  75   6.571   9.769  -1.972
  590    HD1  HIS  75           HD1      HIS  75   2.793   9.414  -1.906
  591    HD2  HIS  75           HD2      HIS  75   5.841  10.797  -4.365
  592    HE1  HIS  75           HE1      HIS  75   1.642  10.524  -3.846
  593    HE2  HIS  75           HE2      HIS  75   3.515  11.492  -5.233
  594    H    ILE  76           H        ILE  76   7.218   5.883  -2.167
  595    HA   ILE  76           HA       ILE  76   8.500   6.265   0.456
  596    HB   ILE  76           HB       ILE  76   8.012   3.737  -1.057
  597   1HG1  ILE  76          1HG1      ILE  76   6.700   4.812   1.439
  598   2HG1  ILE  76          2HG1      ILE  76   5.963   4.774  -0.163
  599   1HG2  ILE  76          1HG2      ILE  76   8.769   2.606   0.981
  600   2HG2  ILE  76          2HG2      ILE  76   9.143   4.176   1.691
  601   3HG2  ILE  76          3HG2      ILE  76  10.041   3.612   0.276
  602   1HD1  ILE  76          1HD1      ILE  76   5.166   2.995   1.309
  603   2HD1  ILE  76          2HD1      ILE  76   6.807   2.351   1.392
  604   3HD1  ILE  76          3HD1      ILE  76   5.945   2.378  -0.145
  605    H    THR  77           H        THR  77  10.267   7.210  -0.075
  606    HA   THR  77           HA       THR  77  11.720   6.402  -2.390
  607    HB   THR  77           HB       THR  77  12.818   8.560  -2.269
  608    HG1  THR  77           HG1      THR  77  12.862   9.492  -0.374
  609   1HG2  THR  77          1HG2      THR  77   9.870   8.952  -1.919
  610   2HG2  THR  77          2HG2      THR  77  10.575   8.207  -3.354
  611   3HG2  THR  77          3HG2      THR  77  10.972   9.881  -2.938
  612    H    ASP  78           H        ASP  78  13.864   6.758  -2.216
  613    HA   ASP  78           HA       ASP  78  15.858   5.808  -1.684
  614   1HB   ASP  78          1HB       ASP  78  15.318   7.364   0.788
  615   2HB   ASP  78          2HB       ASP  78  16.866   6.795   0.190
  616    H    ALA  79           H        ALA  79  14.652   3.890  -1.512
  617    HA   ALA  79           HA       ALA  79  13.931   2.582   0.817
  618   1HB   ALA  79          1HB       ALA  79  13.277   1.745  -1.353
  619   2HB   ALA  79          2HB       ALA  79  14.193   0.502  -0.495
  620   3HB   ALA  79          3HB       ALA  79  14.963   1.441  -1.778
  621    H    GLN  80           H        GLN  80  15.158   2.254   2.495
  622    HA   GLN  80           HA       GLN  80  17.911   2.083   2.706
  623   1HB   GLN  80          1HB       GLN  80  16.549   2.301   4.658
  624   2HB   GLN  80          2HB       GLN  80  15.659   0.833   4.283
  625   1HG   GLN  80          1HG       GLN  80  16.999  -0.154   5.739
  626   2HG   GLN  80          2HG       GLN  80  18.215  -0.075   4.462
  627   1HE2  GLN  80          1HE2      GLN  80  19.826   1.530   4.575
  628   2HE2  GLN  80          2HE2      GLN  80  20.166   2.393   6.034
  629    HA   PRO  81           HA       PRO  81  18.899  -1.626   0.509
  630   1HB   PRO  81          1HB       PRO  81  21.065  -2.112   2.459
  631   2HB   PRO  81          2HB       PRO  81  21.160  -1.836   0.719
  632   1HG   PRO  81          1HG       PRO  81  21.933   0.022   2.512
  633   2HG   PRO  81          2HG       PRO  81  21.218   0.449   0.947
  634   1HD   PRO  81          1HD       PRO  81  19.996   0.471   3.663
  635   2HD   PRO  81          2HD       PRO  81  19.733   1.569   2.296
  636    H    ALA  82           H        ALA  82  18.117  -1.638   3.827
  637    HA   ALA  82           HA       ALA  82  17.973  -4.563   3.911
  638   1HB   ALA  82          1HB       ALA  82  19.159  -3.439   5.750
  639   2HB   ALA  82          2HB       ALA  82  17.747  -4.330   6.315
  640   3HB   ALA  82          3HB       ALA  82  17.680  -2.575   6.162
  641    H    PHE  83           H        PHE  83  16.078  -2.413   2.626
  642    HA   PHE  83           HA       PHE  83  13.647  -2.940   4.099
  643   1HB   PHE  83          1HB       PHE  83  14.532  -1.042   2.055
  644   2HB   PHE  83          2HB       PHE  83  12.903  -1.628   1.810
  645    HD1  PHE  83           HD1      PHE  83  12.707  -1.799   5.120
  646    HD2  PHE  83           HD2      PHE  83  13.492   1.179   2.168
  647    HE1  PHE  83           HE1      PHE  83  11.888  -0.072   6.647
  648    HE2  PHE  83           HE2      PHE  83  12.660   2.911   3.705
  649    HZ   PHE  83           HZ       PHE  83  11.866   2.286   5.949
  650    H    THR  84           H        THR  84  15.365  -4.283   1.512
  651    HA   THR  84           HA       THR  84  13.746  -5.198  -0.368
  652    HB   THR  84           HB       THR  84  15.793  -6.925   1.000
  653    HG1  THR  84           HG1      THR  84  17.254  -5.845  -0.076
  654   1HG2  THR  84          1HG2      THR  84  15.878  -8.138  -1.117
  655   2HG2  THR  84          2HG2      THR  84  14.634  -7.080  -1.780
  656   3HG2  THR  84          3HG2      THR  84  14.245  -8.167  -0.447
  657    H    GLY  85           H        GLY  85  11.802  -5.441   0.279
  658   1HA   GLY  85          1HA       GLY  85  11.106  -8.005   1.509
  659   2HA   GLY  85          2HA       GLY  85  10.717  -6.598   2.479
  660    H    GLY  86           H        GLY  86   8.581  -6.345   2.386
  661   1HA   GLY  86          1HA       GLY  86   7.306  -6.358  -0.162
  662   2HA   GLY  86          2HA       GLY  86   6.958  -7.776   0.787
  663    H    TYR  87           H        TYR  87   5.951  -4.964  -0.115
  664    HA   TYR  87           HA       TYR  87   4.649  -3.963   2.255
  665   1HB   TYR  87          1HB       TYR  87   4.428  -3.214  -0.676
  666   2HB   TYR  87          2HB       TYR  87   3.720  -2.320   0.664
  667    HD1  TYR  87           HD1      TYR  87   7.160  -3.675  -0.171
  668    HD2  TYR  87           HD2      TYR  87   4.814  -0.397   1.210
  669    HE1  TYR  87           HE1      TYR  87   9.183  -2.326   0.027
  670    HE2  TYR  87           HE2      TYR  87   6.851   0.954   1.418
  671    HH   TYR  87           HH       TYR  87   9.793   0.095   0.042
  672    H    ARG  88           H        ARG  88   2.868  -4.952   2.979
  673    HA   ARG  88           HA       ARG  88   1.291  -6.599   1.124
  674   1HB   ARG  88          1HB       ARG  88   1.629  -6.658   4.127
  675   2HB   ARG  88          2HB       ARG  88   0.398  -7.590   3.288
  676   1HG   ARG  88          1HG       ARG  88   3.286  -7.848   2.540
  677   2HG   ARG  88          2HG       ARG  88   2.612  -8.741   3.907
  678   1HD   ARG  88          1HD       ARG  88   1.692  -8.855   1.034
  679   2HD   ARG  88          2HD       ARG  88   2.529 -10.126   1.928
  680    HE   ARG  88           HE       ARG  88   0.034  -9.253   3.094
  681   1HH1  ARG  88          1HH1      ARG  88   1.599 -11.522   0.965
  682   2HH1  ARG  88          2HH1      ARG  88   0.308 -12.680   1.015
  683   1HH2  ARG  88          1HH2      ARG  88  -1.665 -10.719   3.220
  684   2HH2  ARG  88          2HH2      ARG  88  -1.574 -12.223   2.344
  685    H    CYS  89           H        CYS  89  -0.332  -5.328   0.331
  686    HA   CYS  89           HA       CYS  89  -1.712  -3.542   2.192
  687   1HB   CYS  89          1HB       CYS  89  -1.007  -2.954  -0.253
  688   2HB   CYS  89          2HB       CYS  89  -2.471  -3.827  -0.679
  689    HG   CYS  89           HG       CYS  89  -2.145  -0.912   1.008
  690    H    GLU  90           H        GLU  90  -3.502  -4.096   3.096
  691    HA   GLU  90           HA       GLU  90  -5.106  -6.265   1.962
  692   1HB   GLU  90          1HB       GLU  90  -4.230  -6.108   4.853
  693   2HB   GLU  90          2HB       GLU  90  -5.226  -7.360   4.132
  694   1HG   GLU  90          1HG       GLU  90  -3.363  -8.063   2.732
  695   2HG   GLU  90          2HG       GLU  90  -2.361  -6.785   3.415
  696    H    VAL  91           H        VAL  91  -6.971  -5.228   1.565
  697    HA   VAL  91           HA       VAL  91  -8.023  -3.427   3.620
  698    HB   VAL  91           HB       VAL  91  -8.078  -2.421   1.451
  699   1HG1  VAL  91          1HG1      VAL  91  -9.352  -3.361  -0.417
  700   2HG1  VAL  91          2HG1      VAL  91  -9.660  -4.810   0.539
  701   3HG1  VAL  91          3HG1      VAL  91  -8.014  -4.405   0.062
  702   1HG2  VAL  91          1HG2      VAL  91  -9.922  -1.853   2.882
  703   2HG2  VAL  91          2HG2      VAL  91 -10.829  -3.263   2.340
  704   3HG2  VAL  91          3HG2      VAL  91 -10.491  -1.948   1.216
  705    H    SER  92           H        SER  92  -9.962  -3.692   4.558
  706    HA   SER  92           HA       SER  92 -11.374  -6.216   4.090
  707   1HB   SER  92          1HB       SER  92  -9.555  -6.570   5.855
  708   2HB   SER  92          2HB       SER  92 -10.469  -5.464   6.881
  709    HG   SER  92           HG       SER  92 -11.902  -7.543   5.724
  710    H    THR  93           H        THR  93 -13.327  -5.496   3.686
  711    HA   THR  93           HA       THR  93 -14.533  -3.570   5.558
  712    HB   THR  93           HB       THR  93 -15.411  -3.456   2.781
  713    HG1  THR  93           HG1      THR  93 -12.851  -3.387   3.183
  714   1HG2  THR  93          1HG2      THR  93 -14.810  -1.500   4.968
  715   2HG2  THR  93          2HG2      THR  93 -16.398  -2.049   4.414
  716   3HG2  THR  93          3HG2      THR  93 -15.392  -1.037   3.372
  717    H    LYS  94           H        LYS  94 -16.719  -3.841   5.844
  718    HA   LYS  94           HA       LYS  94 -18.452  -5.267   6.359
  719   1HB   LYS  94          1HB       LYS  94 -19.767  -5.587   4.070
  720   2HB   LYS  94          2HB       LYS  94 -19.692  -4.068   4.929
  721   1HG   LYS  94          1HG       LYS  94 -19.337  -3.482   2.713
  722   2HG   LYS  94          2HG       LYS  94 -17.715  -3.515   3.379
  723   1HD   LYS  94          1HD       LYS  94 -17.867  -4.492   1.142
  724   2HD   LYS  94          2HD       LYS  94 -17.291  -5.634   2.353
  725   1HE   LYS  94          1HE       LYS  94 -18.959  -6.518   0.682
  726   2HE   LYS  94          2HE       LYS  94 -19.336  -6.798   2.378
  727   1HZ   LYS  94          1HZ       LYS  94 -21.014  -5.206   2.347
  728   2HZ   LYS  94          2HZ       LYS  94 -21.193  -6.018   0.872
  729   3HZ   LYS  94          3HZ       LYS  94 -20.464  -4.496   0.911
  730    H    ASP  95           H        ASP  95 -17.471  -6.532   3.269
  731    HA   ASP  95           HA       ASP  95 -17.336  -9.221   4.203
  732   1HB   ASP  95          1HB       ASP  95 -19.771  -8.493   3.684
  733   2HB   ASP  95          2HB       ASP  95 -19.280  -8.631   2.011
  734    H    LYS  96           H        LYS  96 -16.304  -6.767   2.251
  735    HA   LYS  96           HA       LYS  96 -15.513  -8.480   0.057
  736   1HB   LYS  96          1HB       LYS  96 -16.073  -5.641   0.111
  737   2HB   LYS  96          2HB       LYS  96 -14.392  -5.889  -0.291
  738   1HG   LYS  96          1HG       LYS  96 -16.646  -7.290  -1.677
  739   2HG   LYS  96          2HG       LYS  96 -15.921  -5.782  -2.243
  740   1HD   LYS  96          1HD       LYS  96 -13.841  -6.806  -2.627
  741   2HD   LYS  96          2HD       LYS  96 -14.284  -8.247  -1.706
  742   1HE   LYS  96          1HE       LYS  96 -14.476  -8.973  -3.889
  743   2HE   LYS  96          2HE       LYS  96 -16.133  -8.502  -3.497
  744   1HZ   LYS  96          1HZ       LYS  96 -15.590  -6.315  -4.544
  745   2HZ   LYS  96          2HZ       LYS  96 -15.653  -7.618  -5.611
  746   3HZ   LYS  96          3HZ       LYS  96 -14.153  -6.998  -5.123
  747    H    PHE  97           H        PHE  97 -13.620  -9.310   0.035
  748    HA   PHE  97           HA       PHE  97 -11.525  -8.173   1.756
  749   1HB   PHE  97          1HB       PHE  97 -12.695 -10.249   2.625
  750   2HB   PHE  97          2HB       PHE  97 -11.900 -11.126   1.330
  751    HD1  PHE  97           HD1      PHE  97 -11.382  -9.251   4.451
  752    HD2  PHE  97           HD2      PHE  97  -9.553 -11.612   1.408
  753    HE1  PHE  97           HE1      PHE  97  -9.368  -9.483   5.843
  754    HE2  PHE  97           HE2      PHE  97  -7.537 -11.844   2.802
  755    HZ   PHE  97           HZ       PHE  97  -7.443 -10.778   5.022
  756    H    ASP  98           H        ASP  98  -9.532  -8.117   0.964
  757    HA   ASP  98           HA       ASP  98  -8.604  -9.827  -1.106
  758   1HB   ASP  98          1HB       ASP  98 -10.070  -7.959  -2.264
  759   2HB   ASP  98          2HB       ASP  98  -8.625  -6.982  -2.044
  760    H    CYS  99           H        CYS  99  -6.367  -9.387  -1.662
  761    HA   CYS  99           HA       CYS  99  -4.935  -7.505   0.010
  762   1HB   CYS  99          1HB       CYS  99  -4.348 -10.461   0.242
  763   2HB   CYS  99          2HB       CYS  99  -3.530  -9.155   1.083
  764    HG   CYS  99           HG       CYS  99  -6.443  -8.620   2.052
  765    H    SER 100           H        SER 100  -2.905  -7.075  -0.733
  766    HA   SER 100           HA       SER 100  -2.133  -8.407  -3.237
  767   1HB   SER 100          1HB       SER 100  -1.322  -6.116  -3.952
  768   2HB   SER 100          2HB       SER 100  -3.065  -6.276  -3.816
  769    HG   SER 100           HG       SER 100  -1.563  -4.494  -2.655
  770    H    ASN 101           H        ASN 101  -0.046  -9.027  -3.396
  771    HA   ASN 101           HA       ASN 101   1.779  -8.098  -1.290
  772   1HB   ASN 101          1HB       ASN 101   3.033 -10.301  -1.763
  773   2HB   ASN 101          2HB       ASN 101   1.565 -10.357  -0.804
  774   1HD2  ASN 101          1HD2      ASN 101   1.830 -10.130  -4.341
  775   2HD2  ASN 101          2HD2      ASN 101   1.060 -11.649  -4.659
  776    H    PHE 102           H        PHE 102   3.339  -6.849  -1.917
  777    HA   PHE 102           HA       PHE 102   4.522  -7.204  -4.556
  778   1HB   PHE 102          1HB       PHE 102   4.432  -4.561  -4.644
  779   2HB   PHE 102          2HB       PHE 102   3.106  -5.539  -5.255
  780    HD1  PHE 102           HD1      PHE 102   4.057  -2.935  -3.102
  781    HD2  PHE 102           HD2      PHE 102   1.150  -5.976  -3.580
  782    HE1  PHE 102           HE1      PHE 102   2.558  -1.728  -1.617
  783    HE2  PHE 102           HE2      PHE 102  -0.391  -4.754  -2.115
  784    HZ   PHE 102           HZ       PHE 102   0.241  -2.756  -1.085
  785    H    ASN 103           H        ASN 103   6.649  -7.008  -4.468
  786    HA   ASN 103           HA       ASN 103   7.770  -6.445  -1.874
  787   1HB   ASN 103          1HB       ASN 103   8.847  -7.979  -4.221
  788   2HB   ASN 103          2HB       ASN 103   9.635  -7.807  -2.678
  789   1HD2  ASN 103          1HD2      ASN 103   8.734 -10.189  -4.096
  790   2HD2  ASN 103          2HD2      ASN 103   7.715 -11.021  -2.976
  791    H    LEU 104           H        LEU 104   9.653  -5.371  -1.685
  792    HA   LEU 104           HA       LEU 104  10.437  -3.697  -3.971
  793   1HB   LEU 104          1HB       LEU 104   9.824  -2.024  -2.524
  794   2HB   LEU 104          2HB       LEU 104  10.166  -2.961  -1.080
  795    HG   LEU 104           HG       LEU 104  12.572  -2.589  -2.303
  796   1HD1  LEU 104          1HD1      LEU 104  11.031  -0.041  -2.502
  797   2HD1  LEU 104          2HD1      LEU 104  11.620  -1.009  -3.857
  798   3HD1  LEU 104          3HD1      LEU 104  12.765  -0.224  -2.766
  799   1HD2  LEU 104          1HD2      LEU 104  13.027  -0.990  -0.483
  800   2HD2  LEU 104          2HD2      LEU 104  12.290  -2.498   0.062
  801   3HD2  LEU 104          3HD2      LEU 104  11.311  -1.035  -0.082
  802    H    THR 105           H        THR 105  12.263  -4.401  -4.739
  803    HA   THR 105           HA       THR 105  14.129  -5.680  -2.869
  804    HB   THR 105           HB       THR 105  14.389  -5.624  -5.865
  805    HG1  THR 105           HG1      THR 105  12.440  -6.773  -4.564
  806   1HG2  THR 105          1HG2      THR 105  15.772  -7.615  -5.481
  807   2HG2  THR 105          2HG2      THR 105  15.481  -7.480  -3.746
  808   3HG2  THR 105          3HG2      THR 105  16.389  -6.225  -4.588
  809    H    VAL 106           H        VAL 106  15.049  -3.951  -1.934
  810    HA   VAL 106           HA       VAL 106  16.059  -1.778  -3.474
  811    HB   VAL 106           HB       VAL 106  15.388  -1.247  -1.214
  812   1HG1  VAL 106          1HG1      VAL 106  15.617  -3.358  -0.189
  813   2HG1  VAL 106          2HG1      VAL 106  16.541  -2.152   0.722
  814   3HG1  VAL 106          3HG1      VAL 106  17.377  -3.285  -0.346
  815   1HG2  VAL 106          1HG2      VAL 106  17.477  -0.201  -0.385
  816   2HG2  VAL 106          2HG2      VAL 106  17.137   0.122  -2.089
  817   3HG2  VAL 106          3HG2      VAL 106  18.352  -1.084  -1.635
  818    H    HIS 107           H        HIS 107  17.706  -1.812  -4.488
  819    HA   HIS 107           HA       HIS 107  19.635  -3.964  -4.393
  820   1HB   HIS 107          1HB       HIS 107  19.232  -1.694  -6.362
  821   2HB   HIS 107          2HB       HIS 107  20.534  -2.866  -6.480
  822    HD1  HIS 107           HD1      HIS 107  19.331  -3.190  -8.900
  823    HD2  HIS 107           HD2      HIS 107  17.320  -4.688  -5.577
  824    HE1  HIS 107           HE1      HIS 107  17.613  -4.785  -9.806
  825    HE2  HIS 107           HE2      HIS 107  16.560  -5.837  -7.781
  826    H    GLU 108           H        GLU 108  20.855  -3.542  -2.698
  827    HA   GLU 108           HA       GLU 108  22.095  -1.070  -2.145
  828   1HB   GLU 108          1HB       GLU 108  21.902  -2.820  -0.445
  829   2HB   GLU 108          2HB       GLU 108  22.988  -3.847  -1.369
  830   1HG   GLU 108          1HG       GLU 108  24.809  -2.333  -1.034
  831   2HG   GLU 108          2HG       GLU 108  23.745  -1.152  -0.277
  832    H    ALA 109           H        ALA 109  23.435  -0.055  -3.433
  833    HA   ALA 109           HA       ALA 109  25.246  -1.625  -5.128
  834   1HB   ALA 109          1HB       ALA 109  25.576   0.442  -6.394
  835   2HB   ALA 109          2HB       ALA 109  24.529   1.303  -5.266
  836   3HB   ALA 109          3HB       ALA 109  23.864   0.030  -6.290
  837    H    MET 110           H        MET 110  27.009  -2.104  -3.985
  838    HA   MET 110           HA       MET 110  28.281  -0.003  -2.381
  839   1HB   MET 110          1HB       MET 110  27.745  -2.205  -1.311
  840   2HB   MET 110          2HB       MET 110  28.858  -2.974  -2.434
  841   1HG   MET 110          1HG       MET 110  29.976  -2.685  -0.358
  842   2HG   MET 110          2HG       MET 110  30.679  -1.564  -1.521
  843   1HE   MET 110          1HE       MET 110  31.832  -0.206   0.458
  844   2HE   MET 110          2HE       MET 110  31.155  -1.369   1.596
  845   3HE   MET 110          3HE       MET 110  30.966   0.361   1.884
  Start of MODEL    9
    1    H    ASP   1           H        ASP   1 -18.610 -11.717  -0.007
    2    HA   ASP   1           HA       ASP   1 -17.813  -8.861   0.311
    3   1HB   ASP   1          1HB       ASP   1 -16.094  -9.158  -1.220
    4   2HB   ASP   1          2HB       ASP   1 -15.976 -10.643  -0.285
    5    H    ASP   2           H        ASP   2 -18.868  -7.561  -0.991
    6    HA   ASP   2           HA       ASP   2 -20.927  -8.600  -2.744
    7   1HB   ASP   2          1HB       ASP   2 -20.290  -6.024  -1.370
    8   2HB   ASP   2          2HB       ASP   2 -21.544  -6.125  -2.591
    9    HA   PRO   3           HA       PRO   3 -18.910  -7.057  -6.396
   10   1HB   PRO   3          1HB       PRO   3 -20.798  -5.686  -7.772
   11   2HB   PRO   3          2HB       PRO   3 -20.844  -7.444  -7.584
   12   1HG   PRO   3          1HG       PRO   3 -22.334  -5.337  -6.068
   13   2HG   PRO   3          2HG       PRO   3 -22.922  -6.884  -6.702
   14   1HD   PRO   3          1HD       PRO   3 -22.246  -6.515  -4.096
   15   2HD   PRO   3          2HD       PRO   3 -22.077  -8.076  -4.924
   16    H    ILE   4           H        ILE   4 -18.724  -5.319  -4.069
   17    HA   ILE   4           HA       ILE   4 -18.533  -2.602  -4.684
   18    HB   ILE   4           HB       ILE   4 -17.118  -4.499  -2.870
   19   1HG1  ILE   4          1HG1      ILE   4 -17.861  -2.661  -1.213
   20   2HG1  ILE   4          2HG1      ILE   4 -18.849  -2.059  -2.555
   21   1HG2  ILE   4          1HG2      ILE   4 -15.287  -3.072  -3.651
   22   2HG2  ILE   4          2HG2      ILE   4 -15.676  -2.767  -1.960
   23   3HG2  ILE   4          3HG2      ILE   4 -16.207  -1.632  -3.202
   24   1HD1  ILE   4          1HD1      ILE   4 -18.942  -4.776  -1.281
   25   2HD1  ILE   4          2HD1      ILE   4 -19.905  -4.286  -2.692
   26   3HD1  ILE   4          3HD1      ILE   4 -20.151  -3.490  -1.135
   27    H    GLY   5           H        GLY   5 -15.985  -5.058  -4.817
   28   1HA   GLY   5          1HA       GLY   5 -14.323  -5.318  -6.479
   29   2HA   GLY   5          2HA       GLY   5 -14.858  -3.799  -7.190
   30    H    LEU   6           H        LEU   6 -14.001  -4.708  -3.968
   31    HA   LEU   6           HA       LEU   6 -13.016  -2.368  -3.021
   32   1HB   LEU   6          1HB       LEU   6 -13.407  -4.859  -2.093
   33   2HB   LEU   6          2HB       LEU   6 -11.660  -4.852  -2.177
   34    HG   LEU   6           HG       LEU   6 -11.551  -2.993  -0.638
   35   1HD1  LEU   6          1HD1      LEU   6 -13.450  -1.959   0.346
   36   2HD1  LEU   6          2HD1      LEU   6 -14.542  -3.102  -0.427
   37   3HD1  LEU   6          3HD1      LEU   6 -13.683  -1.907  -1.402
   38   1HD2  LEU   6          1HD2      LEU   6 -11.665  -5.253   0.247
   39   2HD2  LEU   6          2HD2      LEU   6 -13.426  -5.135   0.309
   40   3HD2  LEU   6          3HD2      LEU   6 -12.432  -4.096   1.332
   41    H    PHE   7           H        PHE   7 -11.251  -4.958  -4.615
   42    HA   PHE   7           HA       PHE   7  -8.861  -3.355  -4.682
   43   1HB   PHE   7          1HB       PHE   7  -9.450  -6.131  -4.710
   44   2HB   PHE   7          2HB       PHE   7  -8.551  -5.739  -6.182
   45    HD1  PHE   7           HD1      PHE   7  -8.277  -4.190  -2.813
   46    HD2  PHE   7           HD2      PHE   7  -6.443  -6.612  -5.789
   47    HE1  PHE   7           HE1      PHE   7  -6.182  -4.159  -1.539
   48    HE2  PHE   7           HE2      PHE   7  -4.352  -6.588  -4.518
   49    HZ   PHE   7           HZ       PHE   7  -4.210  -5.361  -2.399
   50    H    VAL   8           H        VAL   8  -9.626  -1.729  -5.940
   51    HA   VAL   8           HA       VAL   8 -10.579  -2.064  -8.605
   52    HB   VAL   8           HB       VAL   8  -9.267   0.410  -7.464
   53   1HG1  VAL   8          1HG1      VAL   8 -10.750   1.602  -8.993
   54   2HG1  VAL   8          2HG1      VAL   8 -11.415   0.066  -9.554
   55   3HG1  VAL   8          3HG1      VAL   8  -9.725   0.461  -9.865
   56   1HG2  VAL   8          1HG2      VAL   8 -11.514   1.084  -6.699
   57   2HG2  VAL   8          2HG2      VAL   8 -10.926  -0.348  -5.855
   58   3HG2  VAL   8          3HG2      VAL   8 -12.126  -0.508  -7.140
   59    H    MET   9           H        MET   9  -7.483  -1.085  -7.195
   60    HA   MET   9           HA       MET   9  -6.064  -2.477  -9.295
   61   1HB   MET   9          1HB       MET   9  -6.311  -0.185 -10.218
   62   2HB   MET   9          2HB       MET   9  -5.509   0.431  -8.780
   63   1HG   MET   9          1HG       MET   9  -3.939   0.299 -10.603
   64   2HG   MET   9          2HG       MET   9  -3.519  -0.848  -9.333
   65   1HE   MET   9          1HE       MET   9  -2.357  -2.777 -12.520
   66   2HE   MET   9          2HE       MET   9  -1.880  -2.085 -10.969
   67   3HE   MET   9          3HE       MET   9  -2.292  -1.027 -12.319
   68    H    ARG  10           H        ARG  10  -4.264  -3.354  -8.528
   69    HA   ARG  10           HA       ARG  10  -3.648  -2.816  -5.732
   70   1HB   ARG  10          1HB       ARG  10  -2.432  -5.022  -5.853
   71   2HB   ARG  10          2HB       ARG  10  -4.178  -5.099  -5.982
   72   1HG   ARG  10          1HG       ARG  10  -2.626  -4.971  -8.501
   73   2HG   ARG  10          2HG       ARG  10  -2.556  -6.469  -7.568
   74   1HD   ARG  10          1HD       ARG  10  -5.028  -6.521  -7.553
   75   2HD   ARG  10          2HD       ARG  10  -5.035  -5.092  -8.588
   76    HE   ARG  10           HE       ARG  10  -3.769  -6.525 -10.219
   77   1HH1  ARG  10          1HH1      ARG  10  -5.942  -7.931  -7.855
   78   2HH1  ARG  10          2HH1      ARG  10  -6.287  -9.328  -8.823
   79   1HH2  ARG  10          1HH2      ARG  10  -4.224  -8.359 -11.487
   80   2HH2  ARG  10          2HH2      ARG  10  -5.316  -9.572 -10.885
   81    HA   PRO  11           HA       PRO  11   0.189  -0.982  -6.900
   82   1HB   PRO  11          1HB       PRO  11   1.441  -1.520  -4.461
   83   2HB   PRO  11          2HB       PRO  11   0.548  -0.064  -4.866
   84   1HG   PRO  11          1HG       PRO  11  -0.225  -2.303  -3.190
   85   2HG   PRO  11          2HG       PRO  11  -0.869  -0.664  -3.232
   86   1HD   PRO  11          1HD       PRO  11  -2.136  -2.935  -4.212
   87   2HD   PRO  11          2HD       PRO  11  -2.553  -1.262  -4.614
   88    H    GLN  12           H        GLN  12   2.375  -1.628  -7.264
   89    HA   GLN  12           HA       GLN  12   2.670  -4.538  -7.366
   90   1HB   GLN  12          1HB       GLN  12   3.439  -2.439  -9.395
   91   2HB   GLN  12          2HB       GLN  12   3.868  -4.138  -9.507
   92   1HG   GLN  12          1HG       GLN  12   1.035  -3.188  -9.289
   93   2HG   GLN  12          2HG       GLN  12   1.860  -3.402 -10.834
   94   1HE2  GLN  12          1HE2      GLN  12   0.655  -5.057  -7.978
   95   2HE2  GLN  12          2HE2      GLN  12   0.605  -6.627  -8.697
   96    H    ASP  13           H        ASP  13   5.082  -5.072  -7.898
   97    HA   ASP  13           HA       ASP  13   6.617  -4.321  -5.731
   98   1HB   ASP  13          1HB       ASP  13   8.270  -5.717  -7.001
   99   2HB   ASP  13          2HB       ASP  13   6.752  -6.506  -6.678
  100    H    GLY  14           H        GLY  14   8.948  -4.532  -7.503
  101   1HA   GLY  14          1HA       GLY  14   9.707  -2.656  -9.131
  102   2HA   GLY  14          2HA       GLY  14   9.397  -1.658  -7.725
  103    H    GLU  15           H        GLU  15  11.755  -2.575  -9.301
  104    HA   GLU  15           HA       GLU  15  13.466  -3.392  -7.056
  105   1HB   GLU  15          1HB       GLU  15  14.036  -3.500 -10.028
  106   2HB   GLU  15          2HB       GLU  15  15.157  -3.976  -8.766
  107   1HG   GLU  15          1HG       GLU  15  13.527  -5.730  -8.087
  108   2HG   GLU  15          2HG       GLU  15  12.578  -5.312  -9.511
  109    H    VAL  16           H        VAL  16  14.606  -1.732  -6.188
  110    HA   VAL  16           HA       VAL  16  15.357   0.437  -7.889
  111    HB   VAL  16           HB       VAL  16  14.423   2.070  -6.574
  112   1HG1  VAL  16          1HG1      VAL  16  12.338  -0.075  -6.523
  113   2HG1  VAL  16          2HG1      VAL  16  12.740   0.933  -7.911
  114   3HG1  VAL  16          3HG1      VAL  16  12.050   1.667  -6.463
  115   1HG2  VAL  16          1HG2      VAL  16  15.122   1.271  -4.401
  116   2HG2  VAL  16          2HG2      VAL  16  13.857   0.043  -4.435
  117   3HG2  VAL  16          3HG2      VAL  16  13.424   1.752  -4.355
  118    H    THR  17           H        THR  17  16.997   1.577  -6.980
  119    HA   THR  17           HA       THR  17  18.838   0.020  -5.410
  120    HB   THR  17           HB       THR  17  19.583   2.776  -6.096
  121    HG1  THR  17           HG1      THR  17  19.682   2.217  -8.396
  122   1HG2  THR  17          1HG2      THR  17  21.551   1.674  -7.067
  123   2HG2  THR  17          2HG2      THR  17  20.793   0.102  -6.817
  124   3HG2  THR  17          3HG2      THR  17  21.240   1.096  -5.430
  125    H    VAL  18           H        VAL  18  19.823   0.886  -3.428
  126    HA   VAL  18           HA       VAL  18  18.101   2.350  -1.731
  127    HB   VAL  18           HB       VAL  18  21.026   2.166  -1.263
  128   1HG1  VAL  18          1HG1      VAL  18  20.420   2.225   1.094
  129   2HG1  VAL  18          2HG1      VAL  18  18.715   2.248   0.648
  130   3HG1  VAL  18          3HG1      VAL  18  19.753   3.608   0.223
  131   1HG2  VAL  18          1HG2      VAL  18  20.172  -0.107  -1.803
  132   2HG2  VAL  18          2HG2      VAL  18  19.058   0.053  -0.445
  133   3HG2  VAL  18          3HG2      VAL  18  20.798   0.044  -0.158
  134    H    GLY  19           H        GLY  19  17.684   4.134  -2.283
  135   1HA   GLY  19          1HA       GLY  19  18.329   6.498  -1.912
  136   2HA   GLY  19          2HA       GLY  19  19.764   6.132  -2.859
  137    H    GLY  20           H        GLY  20  16.998   4.564  -4.169
  138   1HA   GLY  20          1HA       GLY  20  16.626   6.772  -6.028
  139   2HA   GLY  20          2HA       GLY  20  16.018   5.144  -6.200
  140    H    SER  21           H        SER  21  14.081   5.129  -6.110
  141    HA   SER  21           HA       SER  21  12.647   5.916  -3.811
  142   1HB   SER  21          1HB       SER  21  11.997   6.983  -6.517
  143   2HB   SER  21          2HB       SER  21  10.858   6.953  -5.215
  144    HG   SER  21           HG       SER  21  13.380   8.167  -4.901
  145    H    ILE  22           H        ILE  22  10.435   5.093  -4.054
  146    HA   ILE  22           HA       ILE  22   9.829   3.339  -6.162
  147    HB   ILE  22           HB       ILE  22  10.784   1.826  -4.502
  148   1HG1  ILE  22          1HG1      ILE  22   8.834   0.302  -4.375
  149   2HG1  ILE  22          2HG1      ILE  22   7.837   1.606  -4.987
  150   1HG2  ILE  22          1HG2      ILE  22  10.253   2.979  -2.437
  151   2HG2  ILE  22          2HG2      ILE  22   9.598   1.341  -2.414
  152   3HG2  ILE  22          3HG2      ILE  22   8.535   2.710  -2.728
  153   1HD1  ILE  22          1HD1      ILE  22   9.189   1.645  -7.036
  154   2HD1  ILE  22          2HD1      ILE  22   8.417   0.084  -6.765
  155   3HD1  ILE  22          3HD1      ILE  22  10.134   0.287  -6.421
  156    H    THR  23           H        THR  23   7.708   2.995  -6.237
  157    HA   THR  23           HA       THR  23   5.999   4.766  -4.689
  158    HB   THR  23           HB       THR  23   5.820   4.801  -7.680
  159    HG1  THR  23           HG1      THR  23   7.816   5.750  -6.905
  160   1HG2  THR  23          1HG2      THR  23   3.766   5.384  -6.524
  161   2HG2  THR  23          2HG2      THR  23   4.460   6.823  -7.272
  162   3HG2  THR  23          3HG2      THR  23   4.632   6.560  -5.535
  163    H    PHE  24           H        PHE  24   4.364   3.767  -4.069
  164    HA   PHE  24           HA       PHE  24   3.205   1.623  -5.694
  165   1HB   PHE  24          1HB       PHE  24   2.939   1.928  -2.701
  166   2HB   PHE  24          2HB       PHE  24   2.463   0.563  -3.688
  167    HD1  PHE  24           HD1      PHE  24   4.454  -0.562  -5.032
  168    HD2  PHE  24           HD2      PHE  24   4.874   1.802  -1.527
  169    HE1  PHE  24           HE1      PHE  24   6.617  -1.640  -4.574
  170    HE2  PHE  24           HE2      PHE  24   7.039   0.735  -1.062
  171    HZ   PHE  24           HZ       PHE  24   7.915  -0.991  -2.583
  172    H    SER  25           H        SER  25   1.030   1.658  -5.873
  173    HA   SER  25           HA       SER  25  -0.513   3.780  -4.656
  174   1HB   SER  25          1HB       SER  25  -1.176   3.173  -7.455
  175   2HB   SER  25          2HB       SER  25  -1.223   4.697  -6.595
  176    HG   SER  25           HG       SER  25   1.230   4.395  -6.689
  177    H    ALA  26           H        ALA  26  -2.199   2.972  -3.798
  178    HA   ALA  26           HA       ALA  26  -3.270   0.385  -4.719
  179   1HB   ALA  26          1HB       ALA  26  -3.997   0.000  -2.381
  180   2HB   ALA  26          2HB       ALA  26  -3.159   1.477  -1.906
  181   3HB   ALA  26          3HB       ALA  26  -2.245   0.121  -2.534
  182    H    ARG  27           H        ARG  27  -5.170   0.598  -5.653
  183    HA   ARG  27           HA       ARG  27  -6.840   2.904  -4.928
  184   1HB   ARG  27          1HB       ARG  27  -7.003   1.102  -7.349
  185   2HB   ARG  27          2HB       ARG  27  -7.993   2.524  -7.058
  186   1HG   ARG  27          1HG       ARG  27  -6.054   3.958  -7.215
  187   2HG   ARG  27          2HG       ARG  27  -5.000   2.552  -7.397
  188   1HD   ARG  27          1HD       ARG  27  -6.241   1.947  -9.459
  189   2HD   ARG  27          2HD       ARG  27  -7.180   3.431  -9.295
  190    HE   ARG  27           HE       ARG  27  -4.535   4.222  -9.306
  191   1HH1  ARG  27          1HH1      ARG  27  -6.771   2.650 -11.501
  192   2HH1  ARG  27          2HH1      ARG  27  -5.865   3.072 -12.929
  193   1HH2  ARG  27          1HH2      ARG  27  -3.357   4.807 -11.199
  194   2HH2  ARG  27          2HH2      ARG  27  -3.948   4.304 -12.750
  195    H    VAL  28           H        VAL  28  -8.390   2.442  -3.471
  196    HA   VAL  28           HA       VAL  28  -9.589  -0.215  -3.557
  197    HB   VAL  28           HB       VAL  28  -9.494   1.558  -1.131
  198   1HG1  VAL  28          1HG1      VAL  28 -10.022  -1.401  -1.311
  199   2HG1  VAL  28          2HG1      VAL  28 -11.307  -0.196  -1.409
  200   3HG1  VAL  28          3HG1      VAL  28 -10.318  -0.326   0.054
  201   1HG2  VAL  28          1HG2      VAL  28  -7.676  -0.733  -1.863
  202   2HG2  VAL  28          2HG2      VAL  28  -7.733   0.054  -0.286
  203   3HG2  VAL  28          3HG2      VAL  28  -7.220   0.966  -1.707
  204    H    ALA  29           H        ALA  29 -11.524  -0.259  -4.029
  205    HA   ALA  29           HA       ALA  29 -13.242   1.922  -4.482
  206   1HB   ALA  29          1HB       ALA  29 -13.859  -1.003  -4.128
  207   2HB   ALA  29          2HB       ALA  29 -13.540  -0.174  -5.653
  208   3HB   ALA  29          3HB       ALA  29 -14.994   0.209  -4.732
  209    H    GLY  30           H        GLY  30 -13.602   3.176  -2.855
  210   1HA   GLY  30          1HA       GLY  30 -14.098   2.669  -0.216
  211   2HA   GLY  30          2HA       GLY  30 -14.843   3.982  -1.133
  212    H    ALA  31           H        ALA  31 -16.652   3.253  -2.592
  213    HA   ALA  31           HA       ALA  31 -18.785   2.609  -2.788
  214   1HB   ALA  31          1HB       ALA  31 -19.347   0.272  -2.083
  215   2HB   ALA  31          2HB       ALA  31 -17.723   0.150  -1.398
  216   3HB   ALA  31          3HB       ALA  31 -17.939   0.389  -3.141
  217    H    SER  32           H        SER  32 -20.570   1.272  -1.219
  218    HA   SER  32           HA       SER  32 -20.629   2.863   1.239
  219   1HB   SER  32          1HB       SER  32 -23.141   2.139   1.121
  220   2HB   SER  32          2HB       SER  32 -22.555   3.436   0.080
  221    HG   SER  32           HG       SER  32 -22.632   2.124  -1.645
  222    H    LEU  33           H        LEU  33 -21.188   1.823   3.222
  223    HA   LEU  33           HA       LEU  33 -21.112  -1.030   3.349
  224   1HB   LEU  33          1HB       LEU  33 -19.001  -0.883   4.794
  225   2HB   LEU  33          2HB       LEU  33 -18.842  -0.960   3.064
  226    HG   LEU  33           HG       LEU  33 -17.361   0.648   4.522
  227   1HD1  LEU  33          1HD1      LEU  33 -17.173   0.428   2.141
  228   2HD1  LEU  33          2HD1      LEU  33 -17.135   2.135   2.585
  229   3HD1  LEU  33          3HD1      LEU  33 -18.602   1.435   1.900
  230   1HD2  LEU  33          1HD2      LEU  33 -19.635   1.776   5.305
  231   2HD2  LEU  33          2HD2      LEU  33 -19.360   2.727   3.840
  232   3HD2  LEU  33          3HD2      LEU  33 -18.141   2.687   5.108
  233    H    LEU  34           H        LEU  34 -20.370  -1.574   5.770
  234    HA   LEU  34           HA       LEU  34 -22.226  -0.238   7.521
  235   1HB   LEU  34          1HB       LEU  34 -21.748  -2.706   7.553
  236   2HB   LEU  34          2HB       LEU  34 -20.157  -2.317   8.189
  237    HG   LEU  34           HG       LEU  34 -21.331  -1.116  10.057
  238   1HD1  LEU  34          1HD1      LEU  34 -23.521  -0.909   8.985
  239   2HD1  LEU  34          2HD1      LEU  34 -23.624  -1.727  10.543
  240   3HD1  LEU  34          3HD1      LEU  34 -23.712  -2.662   9.050
  241   1HD2  LEU  34          1HD2      LEU  34 -21.763  -3.180  11.308
  242   2HD2  LEU  34          2HD2      LEU  34 -20.275  -3.279  10.369
  243   3HD2  LEU  34          3HD2      LEU  34 -21.733  -4.089   9.797
  244    H    LYS  35           H        LYS  35 -18.731  -0.652   7.244
  245    HA   LYS  35           HA       LYS  35 -18.391   2.025   8.292
  246   1HB   LYS  35          1HB       LYS  35 -16.391   1.235   9.644
  247   2HB   LYS  35          2HB       LYS  35 -17.969   0.845  10.296
  248   1HG   LYS  35          1HG       LYS  35 -16.713  -1.083  10.635
  249   2HG   LYS  35          2HG       LYS  35 -17.673  -1.445   9.201
  250   1HD   LYS  35          1HD       LYS  35 -15.823  -1.189   7.770
  251   2HD   LYS  35          2HD       LYS  35 -14.880  -0.351   9.002
  252   1HE   LYS  35          1HE       LYS  35 -14.094  -2.650   8.645
  253   2HE   LYS  35          2HE       LYS  35 -14.676  -2.391  10.287
  254   1HZ   LYS  35          1HZ       LYS  35 -16.215  -3.697   8.114
  255   2HZ   LYS  35          2HZ       LYS  35 -16.744  -3.478   9.704
  256   3HZ   LYS  35          3HZ       LYS  35 -15.435  -4.506   9.376
  257    HA   PRO  36           HA       PRO  36 -16.032   2.781   4.742
  258   1HB   PRO  36          1HB       PRO  36 -13.954   3.834   6.622
  259   2HB   PRO  36          2HB       PRO  36 -14.626   4.579   5.167
  260   1HG   PRO  36          1HG       PRO  36 -15.422   5.367   7.575
  261   2HG   PRO  36          2HG       PRO  36 -16.583   5.213   6.245
  262   1HD   PRO  36          1HD       PRO  36 -16.173   3.462   8.612
  263   2HD   PRO  36          2HD       PRO  36 -17.661   3.815   7.710
  264    HA   PRO  37           HA       PRO  37 -13.358  -0.690   4.274
  265   1HB   PRO  37          1HB       PRO  37 -11.578   0.468   2.458
  266   2HB   PRO  37          2HB       PRO  37 -12.964  -0.558   2.087
  267   1HG   PRO  37          1HG       PRO  37 -12.682   2.349   1.825
  268   2HG   PRO  37          2HG       PRO  37 -13.868   1.273   1.060
  269   1HD   PRO  37          1HD       PRO  37 -14.404   3.047   3.113
  270   2HD   PRO  37          2HD       PRO  37 -15.403   1.635   2.694
  271    H    VAL  38           H        VAL  38 -11.773  -1.303   5.446
  272    HA   VAL  38           HA       VAL  38  -9.889   0.665   6.479
  273    HB   VAL  38           HB       VAL  38  -9.991  -2.088   7.528
  274   1HG1  VAL  38          1HG1      VAL  38  -9.341  -0.964   9.627
  275   2HG1  VAL  38          2HG1      VAL  38  -9.386   0.575   8.762
  276   3HG1  VAL  38          3HG1      VAL  38  -8.234  -0.672   8.288
  277   1HG2  VAL  38          1HG2      VAL  38 -11.958   0.035   8.353
  278   2HG2  VAL  38          2HG2      VAL  38 -11.671  -1.468   9.228
  279   3HG2  VAL  38          3HG2      VAL  38 -12.331  -1.517   7.595
  280    H    VAL  39           H        VAL  39  -8.400   0.674   5.134
  281    HA   VAL  39           HA       VAL  39  -7.232  -1.768   4.097
  282    HB   VAL  39           HB       VAL  39  -6.385   0.949   3.215
  283   1HG1  VAL  39          1HG1      VAL  39  -6.488  -1.710   1.819
  284   2HG1  VAL  39          2HG1      VAL  39  -5.060  -0.946   2.523
  285   3HG1  VAL  39          3HG1      VAL  39  -5.861  -0.214   1.128
  286   1HG2  VAL  39          1HG2      VAL  39  -8.734  -0.518   2.030
  287   2HG2  VAL  39          2HG2      VAL  39  -8.040   0.995   1.441
  288   3HG2  VAL  39          3HG2      VAL  39  -8.837   0.941   3.012
  289    H    LYS  40           H        LYS  40  -5.693  -2.354   5.283
  290    HA   LYS  40           HA       LYS  40  -3.949  -0.470   6.568
  291   1HB   LYS  40          1HB       LYS  40  -3.237  -2.436   7.937
  292   2HB   LYS  40          2HB       LYS  40  -4.881  -1.910   8.198
  293   1HG   LYS  40          1HG       LYS  40  -5.249  -4.141   8.057
  294   2HG   LYS  40          2HG       LYS  40  -5.324  -3.752   6.338
  295   1HD   LYS  40          1HD       LYS  40  -3.830  -5.472   6.210
  296   2HD   LYS  40          2HD       LYS  40  -2.682  -4.175   6.559
  297   1HE   LYS  40          1HE       LYS  40  -2.254  -6.086   7.995
  298   2HE   LYS  40          2HE       LYS  40  -2.819  -4.715   8.948
  299   1HZ   LYS  40          1HZ       LYS  40  -4.993  -5.679   9.073
  300   2HZ   LYS  40          2HZ       LYS  40  -3.866  -6.839   9.581
  301   3HZ   LYS  40          3HZ       LYS  40  -4.555  -6.949   8.033
  302    H    TRP  41           H        TRP  41  -2.158  -0.238   5.918
  303    HA   TRP  41           HA       TRP  41  -0.937  -1.935   3.949
  304   1HB   TRP  41          1HB       TRP  41  -0.217   0.687   5.209
  305   2HB   TRP  41          2HB       TRP  41   0.834  -0.149   4.069
  306    HD1  TRP  41           HD1      TRP  41  -2.511   1.693   4.255
  307    HE1  TRP  41           HE1      TRP  41  -3.126   2.387   1.819
  308    HE3  TRP  41           HE3      TRP  41   1.050  -0.912   1.727
  309    HZ2  TRP  41           HZ2      TRP  41  -2.256   1.802  -0.776
  310    HZ3  TRP  41           HZ3      TRP  41   1.086  -0.824  -0.727
  311    HH2  TRP  41           HH2      TRP  41  -0.552   0.518  -1.945
  312    H    PHE  42           H        PHE  42   1.015  -2.831   4.120
  313    HA   PHE  42           HA       PHE  42   2.259  -3.057   6.771
  314   1HB   PHE  42          1HB       PHE  42   1.029  -5.197   5.977
  315   2HB   PHE  42          2HB       PHE  42   2.250  -5.268   4.716
  316    HD1  PHE  42           HD1      PHE  42   4.590  -5.718   5.261
  317    HD2  PHE  42           HD2      PHE  42   1.538  -5.792   8.224
  318    HE1  PHE  42           HE1      PHE  42   6.098  -6.960   6.770
  319    HE2  PHE  42           HE2      PHE  42   3.030  -7.032   9.733
  320    HZ   PHE  42           HZ       PHE  42   5.305  -7.617   9.010
  321    H    LYS  43           H        LYS  43   4.429  -2.647   6.648
  322    HA   LYS  43           HA       LYS  43   5.319  -1.904   3.936
  323   1HB   LYS  43          1HB       LYS  43   5.514   0.094   4.935
  324   2HB   LYS  43          2HB       LYS  43   5.498  -0.567   6.556
  325   1HG   LYS  43          1HG       LYS  43   7.796  -0.787   6.620
  326   2HG   LYS  43          2HG       LYS  43   7.960  -0.769   4.862
  327   1HD   LYS  43          1HD       LYS  43   7.556   1.515   4.737
  328   2HD   LYS  43          2HD       LYS  43   6.909   1.580   6.378
  329   1HE   LYS  43          1HE       LYS  43   9.709   0.719   5.887
  330   2HE   LYS  43          2HE       LYS  43   9.309   2.439   5.908
  331   1HZ   LYS  43          1HZ       LYS  43  10.045   1.545   8.096
  332   2HZ   LYS  43          2HZ       LYS  43   8.662   0.560   8.121
  333   3HZ   LYS  43          3HZ       LYS  43   8.502   2.241   8.132
  334    H    GLY  44           H        GLY  44   6.641  -3.531   3.232
  335   1HA   GLY  44          1HA       GLY  44   7.495  -5.293   5.364
  336   2HA   GLY  44          2HA       GLY  44   7.424  -5.686   3.668
  337    H    LYS  45           H        LYS  45   9.565  -3.974   6.021
  338    HA   LYS  45           HA       LYS  45  11.123  -6.214   4.981
  339   1HB   LYS  45          1HB       LYS  45  12.498  -5.597   7.198
  340   2HB   LYS  45          2HB       LYS  45  12.845  -4.847   5.669
  341   1HG   LYS  45          1HG       LYS  45  11.389  -2.925   6.395
  342   2HG   LYS  45          2HG       LYS  45  11.358  -3.682   7.996
  343   1HD   LYS  45          1HD       LYS  45  13.980  -3.786   7.590
  344   2HD   LYS  45          2HD       LYS  45  13.630  -2.422   6.530
  345   1HE   LYS  45          1HE       LYS  45  12.701  -2.540   9.382
  346   2HE   LYS  45          2HE       LYS  45  14.280  -1.901   8.928
  347   1HZ   LYS  45          1HZ       LYS  45  12.588  -0.182   9.155
  348   2HZ   LYS  45          2HZ       LYS  45  11.694  -0.895   7.908
  349   3HZ   LYS  45          3HZ       LYS  45  13.223  -0.248   7.590
  350    H    TRP  46           H        TRP  46   9.315  -4.898   7.607
  351    HA   TRP  46           HA       TRP  46   7.933  -7.309   8.264
  352   1HB   TRP  46          1HB       TRP  46   8.746  -7.013  10.698
  353   2HB   TRP  46          2HB       TRP  46   9.758  -7.910   9.572
  354    HD1  TRP  46           HD1      TRP  46  11.936  -6.653   8.675
  355    HE1  TRP  46           HE1      TRP  46  13.286  -4.657   9.538
  356    HE3  TRP  46           HE3      TRP  46   8.578  -4.956  12.099
  357    HZ2  TRP  46           HZ2      TRP  46  12.953  -2.627  11.550
  358    HZ3  TRP  46           HZ3      TRP  46   9.154  -2.994  13.464
  359    HH2  TRP  46           HH2      TRP  46  11.279  -1.852  13.187
  360    H    VAL  47           H        VAL  47   7.835  -4.091   8.003
  361    HA   VAL  47           HA       VAL  47   6.897  -3.338  10.561
  362    HB   VAL  47           HB       VAL  47   7.152  -1.110   8.858
  363   1HG1  VAL  47          1HG1      VAL  47   7.414  -1.156  11.283
  364   2HG1  VAL  47          2HG1      VAL  47   8.807  -0.416  10.489
  365   3HG1  VAL  47          3HG1      VAL  47   8.907  -2.073  11.087
  366   1HG2  VAL  47          1HG2      VAL  47   8.616  -2.310   7.394
  367   2HG2  VAL  47          2HG2      VAL  47   9.569  -2.892   8.765
  368   3HG2  VAL  47          3HG2      VAL  47   9.565  -1.178   8.352
  369    H    ASP  48           H        ASP  48   5.473  -1.572  10.468
  370    HA   ASP  48           HA       ASP  48   3.158  -1.834   8.802
  371   1HB   ASP  48          1HB       ASP  48   2.148  -0.424  10.476
  372   2HB   ASP  48          2HB       ASP  48   2.920  -1.755  11.296
  373    H    LEU  49           H        LEU  49   2.406   0.160   7.835
  374    HA   LEU  49           HA       LEU  49   4.431   2.220   7.515
  375   1HB   LEU  49          1HB       LEU  49   1.768   1.930   6.168
  376   2HB   LEU  49          2HB       LEU  49   2.858   3.288   5.967
  377    HG   LEU  49           HG       LEU  49   4.533   1.459   5.161
  378   1HD1  LEU  49          1HD1      LEU  49   2.914  -0.404   5.671
  379   2HD1  LEU  49          2HD1      LEU  49   3.558  -0.355   4.029
  380   3HD1  LEU  49          3HD1      LEU  49   1.920   0.225   4.347
  381   1HD2  LEU  49          1HD2      LEU  49   2.195   2.281   3.482
  382   2HD2  LEU  49          2HD2      LEU  49   3.823   1.884   2.921
  383   3HD2  LEU  49          3HD2      LEU  49   3.551   3.340   3.889
  384    H    SER  50           H        SER  50   1.525   1.714   9.273
  385    HA   SER  50           HA       SER  50   0.315   4.182   8.873
  386   1HB   SER  50          1HB       SER  50  -0.847   2.125   9.701
  387   2HB   SER  50          2HB       SER  50  -0.003   2.309  11.237
  388    HG   SER  50           HG       SER  50  -2.048   3.885  10.113
  389    H    SER  51           H        SER  51   2.981   3.177  10.783
  390    HA   SER  51           HA       SER  51   2.610   5.473  12.435
  391   1HB   SER  51          1HB       SER  51   3.115   3.078  13.322
  392   2HB   SER  51          2HB       SER  51   4.781   3.533  12.993
  393    HG   SER  51           HG       SER  51   3.249   5.385  14.402
  394    H    LYS  52           H        LYS  52   4.459   4.308   9.948
  395    HA   LYS  52           HA       LYS  52   6.794   5.904  10.565
  396   1HB   LYS  52          1HB       LYS  52   7.050   4.278   8.224
  397   2HB   LYS  52          2HB       LYS  52   7.960   4.210   9.723
  398   1HG   LYS  52          1HG       LYS  52   5.409   2.811   9.069
  399   2HG   LYS  52          2HG       LYS  52   6.991   2.080   9.182
  400   1HD   LYS  52          1HD       LYS  52   5.689   3.412  11.532
  401   2HD   LYS  52          2HD       LYS  52   5.323   1.735  11.101
  402   1HE   LYS  52          1HE       LYS  52   7.802   1.301  11.242
  403   2HE   LYS  52          2HE       LYS  52   7.967   2.918  11.935
  404   1HZ   LYS  52          1HZ       LYS  52   6.586   2.304  13.773
  405   2HZ   LYS  52          2HZ       LYS  52   7.770   1.101  13.606
  406   3HZ   LYS  52          3HZ       LYS  52   6.191   0.816  13.057
  407    H    VAL  53           H        VAL  53   4.346   5.514   8.220
  408    HA   VAL  53           HA       VAL  53   4.756   6.999   6.099
  409    HB   VAL  53           HB       VAL  53   2.373   7.112   7.971
  410   1HG1  VAL  53          1HG1      VAL  53   2.686   8.212   5.197
  411   2HG1  VAL  53          2HG1      VAL  53   2.019   9.004   6.630
  412   3HG1  VAL  53          3HG1      VAL  53   1.120   7.702   5.833
  413   1HG2  VAL  53          1HG2      VAL  53   2.906   5.539   5.478
  414   2HG2  VAL  53          2HG2      VAL  53   1.394   5.544   6.386
  415   3HG2  VAL  53          3HG2      VAL  53   2.868   4.919   7.128
  416    H    GLY  54           H        GLY  54   6.221   8.439   6.306
  417   1HA   GLY  54          1HA       GLY  54   5.359  11.084   7.187
  418   2HA   GLY  54          2HA       GLY  54   6.769  10.454   8.020
  419    H    GLN  55           H        GLN  55   8.745  10.565   7.041
  420    HA   GLN  55           HA       GLN  55   8.820  12.579   4.960
  421   1HB   GLN  55          1HB       GLN  55  10.220  12.694   7.030
  422   2HB   GLN  55          2HB       GLN  55  11.126  11.308   6.437
  423   1HG   GLN  55          1HG       GLN  55  11.717  12.628   4.425
  424   2HG   GLN  55          2HG       GLN  55  10.930  14.024   5.161
  425   1HE2  GLN  55          1HE2      GLN  55  12.800  15.239   5.276
  426   2HE2  GLN  55          2HE2      GLN  55  14.094  14.857   6.359
  427    H    HIS  56           H        HIS  56  10.034   9.272   5.378
  428    HA   HIS  56           HA       HIS  56  11.128   9.305   2.674
  429   1HB   HIS  56          1HB       HIS  56  12.116   7.154   3.232
  430   2HB   HIS  56          2HB       HIS  56  12.473   8.324   4.493
  431    HD1  HIS  56           HD1      HIS  56  10.851   5.091   3.850
  432    HD2  HIS  56           HD2      HIS  56  11.074   7.842   6.953
  433    HE1  HIS  56           HE1      HIS  56   9.935   3.903   5.869
  434    HE2  HIS  56           HE2      HIS  56  10.279   5.525   7.774
  435    H    LEU  57           H        LEU  57   8.653   7.760   4.497
  436    HA   LEU  57           HA       LEU  57   7.414   6.704   2.065
  437   1HB   LEU  57          1HB       LEU  57   8.035   4.834   3.351
  438   2HB   LEU  57          2HB       LEU  57   7.739   5.601   4.862
  439    HG   LEU  57           HG       LEU  57   6.241   3.595   3.678
  440   1HD1  LEU  57          1HD1      LEU  57   4.616   4.206   5.534
  441   2HD1  LEU  57          2HD1      LEU  57   5.783   5.468   5.938
  442   3HD1  LEU  57          3HD1      LEU  57   6.275   3.777   5.944
  443   1HD2  LEU  57          1HD2      LEU  57   5.115   5.010   2.119
  444   2HD2  LEU  57          2HD2      LEU  57   4.729   6.178   3.377
  445   3HD2  LEU  57          3HD2      LEU  57   3.988   4.579   3.403
  446    H    GLN  58           H        GLN  58   6.055   8.391   1.693
  447    HA   GLN  58           HA       GLN  58   4.148   9.090   3.731
  448   1HB   GLN  58          1HB       GLN  58   4.212   9.912   0.816
  449   2HB   GLN  58          2HB       GLN  58   3.261  10.640   2.100
  450   1HG   GLN  58          1HG       GLN  58   4.921  12.148   1.886
  451   2HG   GLN  58          2HG       GLN  58   5.599  11.141   3.144
  452   1HE2  GLN  58          1HE2      GLN  58   7.419   9.963   2.704
  453   2HE2  GLN  58          2HE2      GLN  58   8.342  10.150   1.258
  454    H    LEU  59           H        LEU  59   2.725   7.608   3.974
  455    HA   LEU  59           HA       LEU  59   1.520   6.258   1.684
  456   1HB   LEU  59          1HB       LEU  59   2.291   4.897   3.720
  457   2HB   LEU  59          2HB       LEU  59   1.085   5.734   4.656
  458    HG   LEU  59           HG       LEU  59   0.760   3.512   2.689
  459   1HD1  LEU  59          1HD1      LEU  59  -0.901   2.994   4.591
  460   2HD1  LEU  59          2HD1      LEU  59  -0.017   4.266   5.458
  461   3HD1  LEU  59          3HD1      LEU  59   0.840   2.831   4.860
  462   1HD2  LEU  59          1HD2      LEU  59  -0.730   5.263   1.795
  463   2HD2  LEU  59          2HD2      LEU  59  -1.474   5.423   3.390
  464   3HD2  LEU  59          3HD2      LEU  59  -1.623   3.908   2.496
  465    H    HIS  60           H        HIS  60   0.380   7.968   0.924
  466    HA   HIS  60           HA       HIS  60  -1.477   9.299   2.652
  467   1HB   HIS  60          1HB       HIS  60  -0.245   9.996   0.050
  468   2HB   HIS  60          2HB       HIS  60  -1.829  10.627   0.415
  469    HD1  HIS  60           HD1      HIS  60  -2.018  12.383   2.328
  470    HD2  HIS  60           HD2      HIS  60   1.868  11.145   1.490
  471    HE1  HIS  60           HE1      HIS  60  -0.517  14.040   3.470
  472    HE2  HIS  60           HE2      HIS  60   1.811  13.418   2.736
  473    H    ASP  61           H        ASP  61  -3.396   9.788   1.664
  474    HA   ASP  61           HA       ASP  61  -4.565   7.649   0.154
  475   1HB   ASP  61          1HB       ASP  61  -6.557   7.816   1.657
  476   2HB   ASP  61          2HB       ASP  61  -5.171   6.981   2.313
  477    H    SER  62           H        SER  62  -5.241   8.500  -1.454
  478    HA   SER  62           HA       SER  62  -6.495  11.110  -1.501
  479   1HB   SER  62          1HB       SER  62  -6.047   9.350  -3.875
  480   2HB   SER  62          2HB       SER  62  -6.290  11.089  -3.854
  481    HG   SER  62           HG       SER  62  -4.010  10.131  -4.058
  482    H    TYR  63           H        TYR  63  -8.586  11.342  -2.459
  483    HA   TYR  63           HA       TYR  63 -10.199   8.976  -2.291
  484   1HB   TYR  63          1HB       TYR  63 -10.074   9.563  -0.005
  485   2HB   TYR  63          2HB       TYR  63 -10.477  11.242  -0.329
  486    HD1  TYR  63           HD1      TYR  63 -12.356  11.318   1.176
  487    HD2  TYR  63           HD2      TYR  63 -12.208   8.408  -1.926
  488    HE1  TYR  63           HE1      TYR  63 -14.728  10.797   1.557
  489    HE2  TYR  63           HE2      TYR  63 -14.581   7.884  -1.551
  490    HH   TYR  63           HH       TYR  63 -16.575   9.795   0.558
  491    H    ASP  64           H        ASP  64 -11.092   9.045  -4.047
  492    HA   ASP  64           HA       ASP  64 -12.669  11.438  -4.748
  493   1HB   ASP  64          1HB       ASP  64 -11.127  10.910  -6.525
  494   2HB   ASP  64          2HB       ASP  64 -11.699   9.255  -6.544
  495    H    ARG  65           H        ARG  65 -14.640  11.220  -4.496
  496    HA   ARG  65           HA       ARG  65 -15.811   8.770  -3.670
  497   1HB   ARG  65          1HB       ARG  65 -16.261  11.366  -3.036
  498   2HB   ARG  65          2HB       ARG  65 -17.584  11.066  -4.165
  499   1HG   ARG  65          1HG       ARG  65 -16.918   9.298  -1.864
  500   2HG   ARG  65          2HG       ARG  65 -18.095  10.612  -1.775
  501   1HD   ARG  65          1HD       ARG  65 -18.275   8.492  -3.895
  502   2HD   ARG  65          2HD       ARG  65 -18.958   8.207  -2.285
  503    HE   ARG  65           HE       ARG  65 -20.263  10.343  -2.739
  504   1HH1  ARG  65          1HH1      ARG  65 -19.211   8.223  -5.337
  505   2HH1  ARG  65          2HH1      ARG  65 -20.513   8.680  -6.398
  506   1HH2  ARG  65          1HH2      ARG  65 -21.982  10.922  -4.149
  507   2HH2  ARG  65          2HH2      ARG  65 -22.059  10.197  -5.730
  508    H    ALA  66           H        ALA  66 -15.790  10.677  -6.541
  509    HA   ALA  66           HA       ALA  66 -18.045   9.771  -7.860
  510   1HB   ALA  66          1HB       ALA  66 -16.682  11.591  -8.723
  511   2HB   ALA  66          2HB       ALA  66 -16.893  10.339  -9.949
  512   3HB   ALA  66          3HB       ALA  66 -15.371  10.465  -9.067
  513    H    SER  67           H        SER  67 -14.987   8.215  -7.333
  514    HA   SER  67           HA       SER  67 -16.190   5.749  -8.411
  515   1HB   SER  67          1HB       SER  67 -13.249   6.453  -8.318
  516   2HB   SER  67          2HB       SER  67 -13.941   4.965  -8.969
  517    HG   SER  67           HG       SER  67 -14.841   7.423  -9.964
  518    H    LYS  68           H        LYS  68 -15.611   7.258  -5.623
  519    HA   LYS  68           HA       LYS  68 -15.417   6.690  -3.439
  520   1HB   LYS  68          1HB       LYS  68 -16.068   4.029  -4.625
  521   2HB   LYS  68          2HB       LYS  68 -15.669   4.193  -2.931
  522   1HG   LYS  68          1HG       LYS  68 -17.768   5.918  -4.041
  523   2HG   LYS  68          2HG       LYS  68 -18.139   4.251  -3.787
  524   1HD   LYS  68          1HD       LYS  68 -18.801   5.763  -1.913
  525   2HD   LYS  68          2HD       LYS  68 -17.759   4.427  -1.455
  526   1HE   LYS  68          1HE       LYS  68 -16.549   7.087  -2.043
  527   2HE   LYS  68          2HE       LYS  68 -17.376   6.828  -0.511
  528   1HZ   LYS  68          1HZ       LYS  68 -15.905   4.882  -0.189
  529   2HZ   LYS  68          2HZ       LYS  68 -15.114   6.374  -0.176
  530   3HZ   LYS  68          3HZ       LYS  68 -15.012   5.380  -1.542
  531    H    VAL  69           H        VAL  69 -13.046   6.383  -5.425
  532    HA   VAL  69           HA       VAL  69 -11.560   4.204  -4.343
  533    HB   VAL  69           HB       VAL  69 -10.586   6.321  -6.221
  534   1HG1  VAL  69          1HG1      VAL  69  -8.834   4.733  -6.785
  535   2HG1  VAL  69          2HG1      VAL  69  -9.488   3.593  -5.610
  536   3HG1  VAL  69          3HG1      VAL  69  -8.806   5.126  -5.066
  537   1HG2  VAL  69          1HG2      VAL  69 -11.546   3.561  -6.931
  538   2HG2  VAL  69          2HG2      VAL  69 -11.094   4.853  -8.044
  539   3HG2  VAL  69          3HG2      VAL  69 -12.553   5.000  -7.062
  540    H    TYR  70           H        TYR  70 -10.693   4.369  -2.604
  541    HA   TYR  70           HA       TYR  70  -9.305   6.753  -1.730
  542   1HB   TYR  70          1HB       TYR  70  -9.269   4.037  -0.477
  543   2HB   TYR  70          2HB       TYR  70  -8.626   5.505   0.225
  544    HD1  TYR  70           HD1      TYR  70 -11.521   3.423  -0.103
  545    HD2  TYR  70           HD2      TYR  70 -10.234   7.362   0.820
  546    HE1  TYR  70           HE1      TYR  70 -13.670   3.866   0.992
  547    HE2  TYR  70           HE2      TYR  70 -12.387   7.815   1.915
  548    HH   TYR  70           HH       TYR  70 -14.479   5.515   2.865
  549    H    LEU  71           H        LEU  71  -7.660   7.033  -2.986
  550    HA   LEU  71           HA       LEU  71  -6.030   4.749  -3.751
  551   1HB   LEU  71          1HB       LEU  71  -6.412   6.083  -5.658
  552   2HB   LEU  71          2HB       LEU  71  -6.088   7.570  -4.781
  553    HG   LEU  71           HG       LEU  71  -3.736   7.099  -4.681
  554   1HD1  LEU  71          1HD1      LEU  71  -2.717   5.095  -5.633
  555   2HD1  LEU  71          2HD1      LEU  71  -4.318   4.446  -6.004
  556   3HD1  LEU  71          3HD1      LEU  71  -3.824   4.682  -4.323
  557   1HD2  LEU  71          1HD2      LEU  71  -4.516   8.131  -6.728
  558   2HD2  LEU  71          2HD2      LEU  71  -4.786   6.542  -7.448
  559   3HD2  LEU  71          3HD2      LEU  71  -3.150   7.065  -7.049
  560    H    PHE  72           H        PHE  72  -4.897   4.251  -2.166
  561    HA   PHE  72           HA       PHE  72  -3.489   6.115  -0.532
  562   1HB   PHE  72          1HB       PHE  72  -3.464   3.142  -0.764
  563   2HB   PHE  72          2HB       PHE  72  -2.472   4.006   0.397
  564    HD1  PHE  72           HD1      PHE  72  -5.881   3.017  -0.533
  565    HD2  PHE  72           HD2      PHE  72  -3.462   4.977   2.366
  566    HE1  PHE  72           HE1      PHE  72  -7.762   2.985   1.049
  567    HE2  PHE  72           HE2      PHE  72  -5.339   4.942   3.957
  568    HZ   PHE  72           HZ       PHE  72  -7.480   3.937   3.314
  569    H    GLU  73           H        GLU  73  -1.839   6.995  -1.190
  570    HA   GLU  73           HA       GLU  73  -0.243   5.882  -3.364
  571   1HB   GLU  73          1HB       GLU  73  -0.406   8.764  -2.554
  572   2HB   GLU  73          2HB       GLU  73   0.472   8.109  -3.918
  573   1HG   GLU  73          1HG       GLU  73  -1.641   7.419  -4.943
  574   2HG   GLU  73          2HG       GLU  73  -2.522   8.137  -3.593
  575    H    LEU  74           H        LEU  74   1.557   5.275  -2.901
  576    HA   LEU  74           HA       LEU  74   2.820   5.882  -0.357
  577   1HB   LEU  74          1HB       LEU  74   3.456   3.819  -2.438
  578   2HB   LEU  74          2HB       LEU  74   4.352   4.018  -0.952
  579    HG   LEU  74           HG       LEU  74   2.799   2.097  -0.895
  580   1HD1  LEU  74          1HD1      LEU  74   1.841   2.599   1.268
  581   2HD1  LEU  74          2HD1      LEU  74   2.065   4.326   0.973
  582   3HD1  LEU  74          3HD1      LEU  74   3.469   3.271   1.134
  583   1HD2  LEU  74          1HD2      LEU  74   0.634   4.172  -1.082
  584   2HD2  LEU  74          2HD2      LEU  74   0.398   2.465  -0.711
  585   3HD2  LEU  74          3HD2      LEU  74   1.008   2.946  -2.293
  586    H    HIS  75           H        HIS  75   4.162   7.412  -0.467
  587    HA   HIS  75           HA       HIS  75   5.988   7.430  -2.764
  588   1HB   HIS  75          1HB       HIS  75   5.170   9.699  -0.944
  589   2HB   HIS  75          2HB       HIS  75   6.644   9.761  -1.906
  590    HD1  HIS  75           HD1      HIS  75   3.098  10.512  -2.082
  591    HD2  HIS  75           HD2      HIS  75   6.093   9.480  -4.777
  592    HE1  HIS  75           HE1      HIS  75   2.198  11.098  -4.352
  593    HE2  HIS  75           HE2      HIS  75   3.955  10.304  -5.984
  594    H    ILE  76           H        ILE  76   7.227   5.901  -2.093
  595    HA   ILE  76           HA       ILE  76   8.575   6.292   0.483
  596    HB   ILE  76           HB       ILE  76   8.057   3.719  -0.966
  597   1HG1  ILE  76          1HG1      ILE  76   6.699   4.830   1.498
  598   2HG1  ILE  76          2HG1      ILE  76   5.975   4.692  -0.115
  599   1HG2  ILE  76          1HG2      ILE  76   8.794   2.642   1.130
  600   2HG2  ILE  76          2HG2      ILE  76   9.198   4.234   1.772
  601   3HG2  ILE  76          3HG2      ILE  76  10.073   3.595   0.376
  602   1HD1  ILE  76          1HD1      ILE  76   6.186   2.260   0.005
  603   2HD1  ILE  76          2HD1      ILE  76   5.188   2.924   1.298
  604   3HD1  ILE  76          3HD1      ILE  76   6.841   2.411   1.634
  605    H    THR  77           H        THR  77  10.313   7.216  -0.159
  606    HA   THR  77           HA       THR  77  11.574   6.416  -2.591
  607    HB   THR  77           HB       THR  77  12.561   8.587  -2.688
  608    HG1  THR  77           HG1      THR  77  12.975   9.314  -0.696
  609   1HG2  THR  77          1HG2      THR  77   9.670   8.872  -1.905
  610   2HG2  THR  77          2HG2      THR  77  10.237   8.280  -3.467
  611   3HG2  THR  77          3HG2      THR  77  10.588   9.938  -2.971
  612    H    ASP  78           H        ASP  78  13.757   6.826  -2.582
  613    HA   ASP  78           HA       ASP  78  15.783   5.876  -2.120
  614   1HB   ASP  78          1HB       ASP  78  15.229   7.488   0.318
  615   2HB   ASP  78          2HB       ASP  78  16.781   6.863  -0.194
  616    H    ALA  79           H        ALA  79  14.332   3.970  -1.800
  617    HA   ALA  79           HA       ALA  79  13.668   2.767   0.586
  618   1HB   ALA  79          1HB       ALA  79  14.601   1.463  -1.972
  619   2HB   ALA  79          2HB       ALA  79  12.938   1.745  -1.454
  620   3HB   ALA  79          3HB       ALA  79  13.948   0.574  -0.591
  621    H    GLN  80           H        GLN  80  14.840   2.128   2.237
  622    HA   GLN  80           HA       GLN  80  17.713   2.118   2.040
  623   1HB   GLN  80          1HB       GLN  80  17.731   1.965   4.371
  624   2HB   GLN  80          2HB       GLN  80  16.250   2.858   4.060
  625   1HG   GLN  80          1HG       GLN  80  14.917   1.171   4.766
  626   2HG   GLN  80          2HG       GLN  80  16.032  -0.086   4.216
  627   1HE2  GLN  80          1HE2      GLN  80  17.854  -0.548   5.443
  628   2HE2  GLN  80          2HE2      GLN  80  17.921  -0.190   7.135
  629    HA   PRO  81           HA       PRO  81  18.109  -2.159   1.155
  630   1HB   PRO  81          1HB       PRO  81  20.290  -2.921   2.610
  631   2HB   PRO  81          2HB       PRO  81  20.414  -1.925   1.155
  632   1HG   PRO  81          1HG       PRO  81  20.483  -1.101   4.028
  633   2HG   PRO  81          2HG       PRO  81  21.471  -0.524   2.674
  634   1HD   PRO  81          1HD       PRO  81  19.339   0.860   3.639
  635   2HD   PRO  81          2HD       PRO  81  19.843   0.927   1.938
  636    H    ALA  82           H        ALA  82  17.996  -4.308   2.135
  637    HA   ALA  82           HA       ALA  82  17.127  -5.830   3.550
  638   1HB   ALA  82          1HB       ALA  82  17.186  -5.489   5.966
  639   2HB   ALA  82          2HB       ALA  82  17.551  -3.780   5.728
  640   3HB   ALA  82          3HB       ALA  82  18.712  -5.009   5.224
  641    H    PHE  83           H        PHE  83  15.523  -3.276   2.437
  642    HA   PHE  83           HA       PHE  83  13.101  -3.685   3.978
  643   1HB   PHE  83          1HB       PHE  83  13.952  -2.080   1.624
  644   2HB   PHE  83          2HB       PHE  83  12.300  -2.647   1.566
  645    HD1  PHE  83           HD1      PHE  83  12.042  -2.437   4.724
  646    HD2  PHE  83           HD2      PHE  83  13.229   0.277   1.649
  647    HE1  PHE  83           HE1      PHE  83  11.363  -0.540   6.123
  648    HE2  PHE  83           HE2      PHE  83  12.557   2.159   3.056
  649    HZ   PHE  83           HZ       PHE  83  11.622   1.762   5.292
  650    H    THR  84           H        THR  84  14.430  -4.747   0.858
  651    HA   THR  84           HA       THR  84  13.275  -5.649  -0.908
  652    HB   THR  84           HB       THR  84  12.906  -7.804   1.151
  653    HG1  THR  84           HG1      THR  84  15.022  -8.123   1.044
  654   1HG2  THR  84          1HG2      THR  84  11.750  -8.323  -0.905
  655   2HG2  THR  84          2HG2      THR  84  13.228  -9.284  -0.870
  656   3HG2  THR  84          3HG2      THR  84  13.142  -7.826  -1.866
  657    H    GLY  85           H        GLY  85  11.767  -3.935  -0.468
  658   1HA   GLY  85          1HA       GLY  85   9.862  -3.813   1.467
  659   2HA   GLY  85          2HA       GLY  85   9.800  -2.921  -0.020
  660    H    GLY  86           H        GLY  86   8.929  -5.728   1.579
  661   1HA   GLY  86          1HA       GLY  86   6.918  -6.417  -0.393
  662   2HA   GLY  86          2HA       GLY  86   7.328  -7.335   1.041
  663    H    TYR  87           H        TYR  87   5.879  -4.485  -0.134
  664    HA   TYR  87           HA       TYR  87   4.636  -3.818   2.414
  665   1HB   TYR  87          1HB       TYR  87   4.425  -2.626  -0.371
  666   2HB   TYR  87          2HB       TYR  87   3.575  -2.001   1.040
  667    HD1  TYR  87           HD1      TYR  87   6.982  -2.744  -0.244
  668    HD2  TYR  87           HD2      TYR  87   4.632  -0.433   2.448
  669    HE1  TYR  87           HE1      TYR  87   8.954  -1.390   0.317
  670    HE2  TYR  87           HE2      TYR  87   6.608   0.915   3.030
  671    HH   TYR  87           HH       TYR  87   9.053   0.732   2.961
  672    H    ARG  88           H        ARG  88   2.632  -4.629   2.983
  673    HA   ARG  88           HA       ARG  88   1.291  -6.223   0.908
  674   1HB   ARG  88          1HB       ARG  88   1.396  -6.843   3.865
  675   2HB   ARG  88          2HB       ARG  88   0.668  -7.834   2.608
  676   1HG   ARG  88          1HG       ARG  88   2.925  -8.055   1.577
  677   2HG   ARG  88          2HG       ARG  88   3.589  -7.235   2.990
  678   1HD   ARG  88          1HD       ARG  88   2.055  -9.826   2.970
  679   2HD   ARG  88          2HD       ARG  88   3.789  -9.644   3.213
  680    HE   ARG  88           HE       ARG  88   2.386  -8.136   5.148
  681   1HH1  ARG  88          1HH1      ARG  88   3.235 -11.398   4.271
  682   2HH1  ARG  88          2HH1      ARG  88   3.021 -12.036   5.874
  683   1HH2  ARG  88          1HH2      ARG  88   2.141  -8.952   7.302
  684   2HH2  ARG  88          2HH2      ARG  88   2.415 -10.640   7.606
  685    H    CYS  89           H        CYS  89  -0.470  -5.201   0.342
  686    HA   CYS  89           HA       CYS  89  -1.820  -3.520   2.296
  687   1HB   CYS  89          1HB       CYS  89  -1.237  -2.995  -0.246
  688   2HB   CYS  89          2HB       CYS  89  -2.800  -3.759  -0.500
  689    HG   CYS  89           HG       CYS  89  -2.087  -0.882   1.171
  690    H    GLU  90           H        GLU  90  -3.687  -3.984   3.161
  691    HA   GLU  90           HA       GLU  90  -5.246  -6.236   2.140
  692   1HB   GLU  90          1HB       GLU  90  -3.735  -7.169   3.821
  693   2HB   GLU  90          2HB       GLU  90  -4.243  -5.954   4.981
  694   1HG   GLU  90          1HG       GLU  90  -6.486  -6.899   5.009
  695   2HG   GLU  90          2HG       GLU  90  -5.995  -8.106   3.821
  696    H    VAL  91           H        VAL  91  -7.176  -5.311   1.767
  697    HA   VAL  91           HA       VAL  91  -8.119  -3.295   3.674
  698    HB   VAL  91           HB       VAL  91  -8.204  -2.386   1.495
  699   1HG1  VAL  91          1HG1      VAL  91  -8.050  -4.401   0.165
  700   2HG1  VAL  91          2HG1      VAL  91  -9.422  -3.433  -0.373
  701   3HG1  VAL  91          3HG1      VAL  91  -9.688  -4.861   0.627
  702   1HG2  VAL  91          1HG2      VAL  91 -10.977  -3.273   2.288
  703   2HG2  VAL  91          2HG2      VAL  91 -10.622  -1.973   1.152
  704   3HG2  VAL  91          3HG2      VAL  91 -10.133  -1.828   2.839
  705    H    SER  92           H        SER  92  -9.916  -3.502   4.763
  706    HA   SER  92           HA       SER  92 -11.491  -5.956   4.455
  707   1HB   SER  92          1HB       SER  92  -9.874  -6.300   6.304
  708   2HB   SER  92          2HB       SER  92 -10.480  -4.843   7.089
  709    HG   SER  92           HG       SER  92 -12.175  -5.898   7.773
  710    H    THR  93           H        THR  93 -13.364  -5.200   3.843
  711    HA   THR  93           HA       THR  93 -14.541  -2.943   5.320
  712    HB   THR  93           HB       THR  93 -15.351  -3.598   2.536
  713    HG1  THR  93           HG1      THR  93 -13.644  -1.805   2.111
  714   1HG2  THR  93          1HG2      THR  93 -16.647  -1.938   3.688
  715   2HG2  THR  93          2HG2      THR  93 -15.655  -1.120   2.476
  716   3HG2  THR  93          3HG2      THR  93 -15.185  -1.080   4.176
  717    H    LYS  94           H        LYS  94 -16.968  -3.043   5.207
  718    HA   LYS  94           HA       LYS  94 -18.412  -4.572   6.510
  719   1HB   LYS  94          1HB       LYS  94 -20.029  -5.004   4.402
  720   2HB   LYS  94          2HB       LYS  94 -19.891  -3.481   5.241
  721   1HG   LYS  94          1HG       LYS  94 -19.869  -3.091   2.885
  722   2HG   LYS  94          2HG       LYS  94 -18.283  -2.701   3.543
  723   1HD   LYS  94          1HD       LYS  94 -17.982  -3.849   1.470
  724   2HD   LYS  94          2HD       LYS  94 -17.499  -4.930   2.768
  725   1HE   LYS  94          1HE       LYS  94 -18.750  -6.150   1.105
  726   2HE   LYS  94          2HE       LYS  94 -19.661  -6.072   2.617
  727   1HZ   LYS  94          1HZ       LYS  94 -21.134  -4.489   1.736
  728   2HZ   LYS  94          2HZ       LYS  94 -20.962  -5.674   0.530
  729   3HZ   LYS  94          3HZ       LYS  94 -20.150  -4.186   0.386
  730    H    ASP  95           H        ASP  95 -17.640  -5.986   3.398
  731    HA   ASP  95           HA       ASP  95 -17.623  -8.624   4.494
  732   1HB   ASP  95          1HB       ASP  95 -19.961  -7.688   3.562
  733   2HB   ASP  95          2HB       ASP  95 -19.292  -8.330   2.076
  734    H    LYS  96           H        LYS  96 -16.332  -6.359   2.308
  735    HA   LYS  96           HA       LYS  96 -15.571  -8.440   0.466
  736   1HB   LYS  96          1HB       LYS  96 -16.079  -5.656  -0.154
  737   2HB   LYS  96          2HB       LYS  96 -14.371  -6.016  -0.391
  738   1HG   LYS  96          1HG       LYS  96 -15.185  -8.071  -1.682
  739   2HG   LYS  96          2HG       LYS  96 -16.746  -7.242  -1.690
  740   1HD   LYS  96          1HD       LYS  96 -16.024  -5.587  -3.074
  741   2HD   LYS  96          2HD       LYS  96 -14.354  -5.705  -2.520
  742   1HE   LYS  96          1HE       LYS  96 -14.700  -6.460  -4.855
  743   2HE   LYS  96          2HE       LYS  96 -13.995  -7.681  -3.808
  744   1HZ   LYS  96          1HZ       LYS  96 -16.875  -7.566  -4.508
  745   2HZ   LYS  96          2HZ       LYS  96 -16.066  -8.827  -3.710
  746   3HZ   LYS  96          3HZ       LYS  96 -15.733  -8.506  -5.338
  747    H    PHE  97           H        PHE  97 -13.617  -9.082   0.341
  748    HA   PHE  97           HA       PHE  97 -11.552  -7.779   1.941
  749   1HB   PHE  97          1HB       PHE  97 -12.568  -9.684   3.135
  750   2HB   PHE  97          2HB       PHE  97 -12.031 -10.749   1.848
  751    HD1  PHE  97           HD1      PHE  97 -10.611  -8.204   4.180
  752    HD2  PHE  97           HD2      PHE  97 -10.073 -11.894   2.138
  753    HE1  PHE  97           HE1      PHE  97  -8.463  -8.523   5.336
  754    HE2  PHE  97           HE2      PHE  97  -7.926 -12.225   3.292
  755    HZ   PHE  97           HZ       PHE  97  -7.120 -10.540   4.893
  756    H    ASP  98           H        ASP  98  -9.604  -7.687   1.082
  757    HA   ASP  98           HA       ASP  98  -8.786  -9.280  -1.192
  758   1HB   ASP  98          1HB       ASP  98  -9.425  -6.347  -1.479
  759   2HB   ASP  98          2HB       ASP  98  -8.257  -7.132  -2.522
  760    H    CYS  99           H        CYS  99  -6.530  -9.136  -1.568
  761    HA   CYS  99           HA       CYS  99  -4.985  -7.349   0.165
  762   1HB   CYS  99          1HB       CYS  99  -4.425 -10.317   0.049
  763   2HB   CYS  99          2HB       CYS  99  -3.609  -9.114   1.040
  764    HG   CYS  99           HG       CYS  99  -5.058  -9.582   3.103
  765    H    SER 100           H        SER 100  -2.847  -6.972  -0.556
  766    HA   SER 100           HA       SER 100  -2.127  -8.201  -3.136
  767   1HB   SER 100          1HB       SER 100  -1.361  -6.005  -3.981
  768   2HB   SER 100          2HB       SER 100  -3.087  -6.024  -3.667
  769    HG   SER 100           HG       SER 100  -1.038  -4.826  -2.141
  770    H    ASN 101           H        ASN 101  -0.100  -8.854  -3.273
  771    HA   ASN 101           HA       ASN 101   1.809  -7.898  -1.253
  772   1HB   ASN 101          1HB       ASN 101   3.023 -10.108  -1.867
  773   2HB   ASN 101          2HB       ASN 101   1.612 -10.177  -0.824
  774   1HD2  ASN 101          1HD2      ASN 101   1.549  -9.763  -4.356
  775   2HD2  ASN 101          2HD2      ASN 101   0.780 -11.290  -4.677
  776    H    PHE 102           H        PHE 102   3.464  -6.704  -1.959
  777    HA   PHE 102           HA       PHE 102   4.488  -7.150  -4.650
  778   1HB   PHE 102          1HB       PHE 102   4.505  -4.588  -4.933
  779   2HB   PHE 102          2HB       PHE 102   3.003  -5.453  -5.226
  780    HD1  PHE 102           HD1      PHE 102   4.670  -2.939  -3.297
  781    HD2  PHE 102           HD2      PHE 102   1.209  -5.402  -3.475
  782    HE1  PHE 102           HE1      PHE 102   3.536  -1.457  -1.709
  783    HE2  PHE 102           HE2      PHE 102   0.066  -3.914  -1.884
  784    HZ   PHE 102           HZ       PHE 102   1.237  -1.944  -1.001
  785    H    ASN 103           H        ASN 103   6.634  -6.972  -4.725
  786    HA   ASN 103           HA       ASN 103   7.923  -6.373  -2.188
  787   1HB   ASN 103          1HB       ASN 103   8.843  -8.146  -4.421
  788   2HB   ASN 103          2HB       ASN 103   9.623  -7.941  -2.890
  789   1HD2  ASN 103          1HD2      ASN 103   8.428 -10.293  -4.273
  790   2HD2  ASN 103          2HD2      ASN 103   7.375 -10.985  -3.090
  791    H    LEU 104           H        LEU 104   9.471  -5.043  -2.090
  792    HA   LEU 104           HA       LEU 104  10.388  -3.636  -4.506
  793   1HB   LEU 104          1HB       LEU 104   9.718  -1.900  -3.224
  794   2HB   LEU 104          2HB       LEU 104   9.937  -2.754  -1.707
  795    HG   LEU 104           HG       LEU 104  12.452  -2.276  -2.820
  796   1HD1  LEU 104          1HD1      LEU 104  10.672   0.111  -2.941
  797   2HD1  LEU 104          2HD1      LEU 104  11.487  -0.680  -4.298
  798   3HD1  LEU 104          3HD1      LEU 104  12.432   0.157  -3.063
  799   1HD2  LEU 104          1HD2      LEU 104  12.179  -0.385  -0.859
  800   2HD2  LEU 104          2HD2      LEU 104  12.673  -2.054  -0.601
  801   3HD2  LEU 104          3HD2      LEU 104  10.975  -1.595  -0.404
  802    H    THR 105           H        THR 105  12.190  -4.509  -5.274
  803    HA   THR 105           HA       THR 105  14.059  -5.786  -3.473
  804    HB   THR 105           HB       THR 105  14.389  -5.427  -6.443
  805    HG1  THR 105           HG1      THR 105  12.452  -6.746  -5.259
  806   1HG2  THR 105          1HG2      THR 105  15.472  -7.468  -4.499
  807   2HG2  THR 105          2HG2      THR 105  16.381  -6.116  -5.171
  808   3HG2  THR 105          3HG2      THR 105  15.814  -7.408  -6.232
  809    H    VAL 106           H        VAL 106  15.060  -4.234  -2.357
  810    HA   VAL 106           HA       VAL 106  16.021  -1.872  -3.627
  811    HB   VAL 106           HB       VAL 106  15.061  -1.605  -1.413
  812   1HG1  VAL 106          1HG1      VAL 106  15.433  -3.708  -0.452
  813   2HG1  VAL 106          2HG1      VAL 106  16.160  -2.470   0.576
  814   3HG1  VAL 106          3HG1      VAL 106  17.182  -3.463  -0.471
  815   1HG2  VAL 106          1HG2      VAL 106  16.878  -0.360  -0.340
  816   2HG2  VAL 106          2HG2      VAL 106  16.745  -0.016  -2.070
  817   3HG2  VAL 106          3HG2      VAL 106  18.013  -1.097  -1.471
  818    H    HIS 107           H        HIS 107  17.719  -1.782  -4.514
  819    HA   HIS 107           HA       HIS 107  19.801  -3.778  -4.296
  820   1HB   HIS 107          1HB       HIS 107  19.382  -1.517  -6.270
  821   2HB   HIS 107          2HB       HIS 107  20.748  -2.628  -6.319
  822    HD1  HIS 107           HD1      HIS 107  20.377  -4.882  -7.394
  823    HD2  HIS 107           HD2      HIS 107  16.856  -2.694  -6.953
  824    HE1  HIS 107           HE1      HIS 107  18.606  -6.165  -8.623
  825    HE2  HIS 107           HE2      HIS 107  16.490  -4.849  -8.363
  826    H    GLU 108           H        GLU 108  20.874  -3.364  -2.545
  827    HA   GLU 108           HA       GLU 108  21.797  -0.968  -1.517
  828   1HB   GLU 108          1HB       GLU 108  21.934  -3.229  -0.429
  829   2HB   GLU 108          2HB       GLU 108  23.332  -3.560  -1.446
  830   1HG   GLU 108          1HG       GLU 108  24.539  -1.729  -0.435
  831   2HG   GLU 108          2HG       GLU 108  23.123  -1.293   0.522
  832    H    ALA 109           H        ALA 109  23.492  -3.162  -3.716
  833    HA   ALA 109           HA       ALA 109  24.746  -0.896  -5.032
  834   1HB   ALA 109          1HB       ALA 109  27.018  -1.722  -4.786
  835   2HB   ALA 109          2HB       ALA 109  26.449  -3.061  -3.789
  836   3HB   ALA 109          3HB       ALA 109  26.311  -1.403  -3.202
  837    H    MET 110           H        MET 110  24.023  -4.268  -4.777
  838    HA   MET 110           HA       MET 110  24.359  -4.567  -7.684
  839   1HB   MET 110          1HB       MET 110  26.026  -5.881  -6.354
  840   2HB   MET 110          2HB       MET 110  24.689  -6.735  -5.593
  841   1HG   MET 110          1HG       MET 110  25.600  -8.099  -7.336
  842   2HG   MET 110          2HG       MET 110  23.996  -7.550  -7.819
  843   1HE   MET 110          1HE       MET 110  27.859  -7.038  -8.248
  844   2HE   MET 110          2HE       MET 110  27.328  -5.408  -7.834
  845   3HE   MET 110          3HE       MET 110  27.927  -5.757  -9.456
  Start of MODEL   10
    1    H    ASP   1           H        ASP   1 -18.457 -12.552  -0.302
    2    HA   ASP   1           HA       ASP   1 -17.577  -9.738   0.071
    3   1HB   ASP   1          1HB       ASP   1 -16.769 -11.611  -2.176
    4   2HB   ASP   1          2HB       ASP   1 -16.246  -9.948  -1.910
    5    H    ASP   2           H        ASP   2 -19.087  -8.523  -0.447
    6    HA   ASP   2           HA       ASP   2 -21.170  -9.334  -2.339
    7   1HB   ASP   2          1HB       ASP   2 -22.083  -8.812  -0.228
    8   2HB   ASP   2          2HB       ASP   2 -20.942  -7.489   0.004
    9    HA   PRO   3           HA       PRO   3 -19.726  -6.887  -5.635
   10   1HB   PRO   3          1HB       PRO   3 -22.019  -5.223  -5.959
   11   2HB   PRO   3          2HB       PRO   3 -21.603  -6.687  -6.851
   12   1HG   PRO   3          1HG       PRO   3 -23.405  -6.337  -4.528
   13   2HG   PRO   3          2HG       PRO   3 -23.474  -7.526  -5.841
   14   1HD   PRO   3          1HD       PRO   3 -22.698  -8.237  -3.386
   15   2HD   PRO   3          2HD       PRO   3 -21.907  -8.922  -4.822
   16    H    ILE   4           H        ILE   4 -18.119  -5.770  -4.546
   17    HA   ILE   4           HA       ILE   4 -18.691  -2.890  -4.253
   18    HB   ILE   4           HB       ILE   4 -17.092  -4.693  -2.523
   19   1HG1  ILE   4          1HG1      ILE   4 -17.727  -2.840  -0.861
   20   2HG1  ILE   4          2HG1      ILE   4 -18.718  -2.177  -2.159
   21   1HG2  ILE   4          1HG2      ILE   4 -15.500  -3.044  -1.854
   22   2HG2  ILE   4          2HG2      ILE   4 -16.255  -1.813  -2.860
   23   3HG2  ILE   4          3HG2      ILE   4 -15.403  -3.164  -3.610
   24   1HD1  ILE   4          1HD1      ILE   4 -20.063  -3.507  -0.705
   25   2HD1  ILE   4          2HD1      ILE   4 -18.963  -4.879  -0.891
   26   3HD1  ILE   4          3HD1      ILE   4 -19.918  -4.316  -2.268
   27    H    GLY   5           H        GLY   5 -15.973  -5.130  -4.653
   28   1HA   GLY   5          1HA       GLY   5 -14.466  -5.186  -6.498
   29   2HA   GLY   5          2HA       GLY   5 -15.128  -3.641  -7.029
   30    H    LEU   6           H        LEU   6 -13.764  -4.956  -4.116
   31    HA   LEU   6           HA       LEU   6 -12.996  -2.520  -3.001
   32   1HB   LEU   6          1HB       LEU   6 -13.331  -5.024  -2.132
   33   2HB   LEU   6          2HB       LEU   6 -11.589  -5.032  -2.293
   34    HG   LEU   6           HG       LEU   6 -11.388  -3.255  -0.696
   35   1HD1  LEU   6          1HD1      LEU   6 -13.559  -2.145  -1.399
   36   2HD1  LEU   6          2HD1      LEU   6 -13.152  -2.128   0.315
   37   3HD1  LEU   6          3HD1      LEU   6 -14.340  -3.279  -0.295
   38   1HD2  LEU   6          1HD2      LEU   6 -12.142  -4.412   1.238
   39   2HD2  LEU   6          2HD2      LEU   6 -11.594  -5.582   0.038
   40   3HD2  LEU   6          3HD2      LEU   6 -13.325  -5.305   0.280
   41    H    PHE   7           H        PHE   7 -11.267  -4.936  -4.842
   42    HA   PHE   7           HA       PHE   7  -8.830  -3.387  -4.740
   43   1HB   PHE   7          1HB       PHE   7  -9.491  -6.132  -4.950
   44   2HB   PHE   7          2HB       PHE   7  -8.635  -5.685  -6.428
   45    HD1  PHE   7           HD1      PHE   7  -7.963  -3.957  -3.270
   46    HD2  PHE   7           HD2      PHE   7  -6.742  -7.087  -5.881
   47    HE1  PHE   7           HE1      PHE   7  -5.823  -4.113  -2.078
   48    HE2  PHE   7           HE2      PHE   7  -4.600  -7.244  -4.696
   49    HZ   PHE   7           HZ       PHE   7  -4.142  -5.756  -2.791
   50    H    VAL   8           H        VAL   8  -9.604  -1.645  -5.894
   51    HA   VAL   8           HA       VAL   8 -10.497  -1.851  -8.604
   52    HB   VAL   8           HB       VAL   8  -9.372   0.578  -7.196
   53   1HG1  VAL   8          1HG1      VAL   8 -11.262   0.310  -9.529
   54   2HG1  VAL   8          2HG1      VAL   8  -9.592   0.873  -9.586
   55   3HG1  VAL   8          3HG1      VAL   8 -10.817   1.825  -8.746
   56   1HG2  VAL   8          1HG2      VAL   8 -11.135  -0.452  -5.847
   57   2HG2  VAL   8          2HG2      VAL   8 -12.219  -0.417  -7.239
   58   3HG2  VAL   8          3HG2      VAL   8 -11.657   1.092  -6.524
   59    H    MET   9           H        MET   9  -7.508  -0.863  -7.006
   60    HA   MET   9           HA       MET   9  -5.981  -1.895  -9.247
   61   1HB   MET   9          1HB       MET   9  -6.285   0.505  -9.766
   62   2HB   MET   9          2HB       MET   9  -5.521   0.893  -8.231
   63   1HG   MET   9          1HG       MET   9  -3.924   1.118 -10.011
   64   2HG   MET   9          2HG       MET   9  -3.483  -0.236  -8.972
   65   1HE   MET   9          1HE       MET   9  -2.143   0.098 -11.771
   66   2HE   MET   9          2HE       MET   9  -2.239  -1.545 -12.400
   67   3HE   MET   9          3HE       MET   9  -1.839  -1.270 -10.701
   68    H    ARG  10           H        ARG  10  -4.260  -2.920  -8.558
   69    HA   ARG  10           HA       ARG  10  -3.628  -2.746  -5.703
   70   1HB   ARG  10          1HB       ARG  10  -2.746  -5.028  -5.967
   71   2HB   ARG  10          2HB       ARG  10  -4.448  -4.923  -6.392
   72   1HG   ARG  10          1HG       ARG  10  -3.825  -4.848  -8.774
   73   2HG   ARG  10          2HG       ARG  10  -2.133  -5.018  -8.313
   74   1HD   ARG  10          1HD       ARG  10  -2.651  -7.178  -7.269
   75   2HD   ARG  10          2HD       ARG  10  -4.328  -7.024  -7.799
   76    HE   ARG  10           HE       ARG  10  -2.511  -6.737  -9.976
   77   1HH1  ARG  10          1HH1      ARG  10  -4.023  -9.155  -7.940
   78   2HH1  ARG  10          2HH1      ARG  10  -3.878 -10.418  -9.124
   79   1HH2  ARG  10          1HH2      ARG  10  -2.319  -8.364 -11.513
   80   2HH2  ARG  10          2HH2      ARG  10  -2.923  -9.962 -11.178
   81    HA   PRO  11           HA       PRO  11   0.340  -1.130  -6.890
   82   1HB   PRO  11          1HB       PRO  11   1.526  -1.578  -4.434
   83   2HB   PRO  11          2HB       PRO  11   0.590  -0.156  -4.853
   84   1HG   PRO  11          1HG       PRO  11  -0.164  -2.478  -3.245
   85   2HG   PRO  11          2HG       PRO  11  -0.731  -0.812  -3.139
   86   1HD   PRO  11          1HD       PRO  11  -2.169  -2.899  -4.216
   87   2HD   PRO  11          2HD       PRO  11  -2.431  -1.186  -4.594
   88    H    GLN  12           H        GLN  12   2.470  -1.937  -7.223
   89    HA   GLN  12           HA       GLN  12   2.614  -4.870  -7.206
   90   1HB   GLN  12          1HB       GLN  12   3.543  -2.921  -9.319
   91   2HB   GLN  12          2HB       GLN  12   3.711  -4.667  -9.386
   92   1HG   GLN  12          1HG       GLN  12   1.049  -3.323  -9.114
   93   2HG   GLN  12          2HG       GLN  12   1.780  -3.660 -10.682
   94   1HE2  GLN  12          1HE2      GLN  12   0.539  -5.128  -7.721
   95   2HE2  GLN  12          2HE2      GLN  12   0.211  -6.677  -8.423
   96    H    ASP  13           H        ASP  13   5.081  -5.494  -7.755
   97    HA   ASP  13           HA       ASP  13   6.623  -4.655  -5.630
   98   1HB   ASP  13          1HB       ASP  13   8.313  -6.054  -6.902
   99   2HB   ASP  13          2HB       ASP  13   6.841  -6.873  -6.452
  100    H    GLY  14           H        GLY  14   8.986  -4.831  -7.277
  101   1HA   GLY  14          1HA       GLY  14   9.658  -2.934  -8.973
  102   2HA   GLY  14          2HA       GLY  14   9.351  -1.974  -7.537
  103    H    GLU  15           H        GLU  15  11.694  -2.781  -9.160
  104    HA   GLU  15           HA       GLU  15  13.458  -3.481  -6.913
  105   1HB   GLU  15          1HB       GLU  15  13.857  -3.986  -9.867
  106   2HB   GLU  15          2HB       GLU  15  15.097  -4.231  -8.644
  107   1HG   GLU  15          1HG       GLU  15  13.403  -5.816  -7.542
  108   2HG   GLU  15          2HG       GLU  15  12.567  -5.767  -9.093
  109    H    VAL  16           H        VAL  16  14.529  -1.728  -6.210
  110    HA   VAL  16           HA       VAL  16  15.258   0.336  -8.072
  111    HB   VAL  16           HB       VAL  16  14.387   2.007  -6.727
  112   1HG1  VAL  16          1HG1      VAL  16  12.020   1.508  -6.370
  113   2HG1  VAL  16          2HG1      VAL  16  12.379  -0.208  -6.555
  114   3HG1  VAL  16          3HG1      VAL  16  12.612   0.892  -7.913
  115   1HG2  VAL  16          1HG2      VAL  16  14.015   0.013  -4.504
  116   2HG2  VAL  16          2HG2      VAL  16  13.502   1.698  -4.438
  117   3HG2  VAL  16          3HG2      VAL  16  15.218   1.302  -4.567
  118    H    THR  17           H        THR  17  16.855   1.653  -7.037
  119    HA   THR  17           HA       THR  17  18.757   0.043  -5.519
  120    HB   THR  17           HB       THR  17  19.454   2.774  -6.488
  121    HG1  THR  17           HG1      THR  17  18.507   2.024  -8.353
  122   1HG2  THR  17          1HG2      THR  17  21.142   1.493  -5.322
  123   2HG2  THR  17          2HG2      THR  17  21.592   1.657  -7.020
  124   3HG2  THR  17          3HG2      THR  17  20.918   0.139  -6.430
  125    H    VAL  18           H        VAL  18  19.860   0.980  -3.680
  126    HA   VAL  18           HA       VAL  18  18.231   2.470  -1.927
  127    HB   VAL  18           HB       VAL  18  21.159   2.464  -1.611
  128   1HG1  VAL  18          1HG1      VAL  18  20.595   2.318   0.772
  129   2HG1  VAL  18          2HG1      VAL  18  18.890   2.306   0.325
  130   3HG1  VAL  18          3HG1      VAL  18  19.885   3.717  -0.035
  131   1HG2  VAL  18          1HG2      VAL  18  20.620   0.128  -2.181
  132   2HG2  VAL  18          2HG2      VAL  18  19.446   0.110  -0.865
  133   3HG2  VAL  18          3HG2      VAL  18  21.165   0.294  -0.511
  134    H    GLY  19           H        GLY  19  17.756   4.266  -2.564
  135   1HA   GLY  19          1HA       GLY  19  18.499   6.602  -2.108
  136   2HA   GLY  19          2HA       GLY  19  19.842   6.244  -3.185
  137    H    GLY  20           H        GLY  20  17.078   4.719  -4.388
  138   1HA   GLY  20          1HA       GLY  20  16.612   6.978  -6.161
  139   2HA   GLY  20          2HA       GLY  20  16.092   5.328  -6.409
  140    H    SER  21           H        SER  21  14.153   5.235  -6.342
  141    HA   SER  21           HA       SER  21  12.653   6.016  -4.090
  142   1HB   SER  21          1HB       SER  21  10.937   6.991  -5.656
  143   2HB   SER  21          2HB       SER  21  12.350   7.952  -5.325
  144    HG   SER  21           HG       SER  21  12.122   8.033  -7.507
  145    H    ILE  22           H        ILE  22  10.543   5.161  -4.220
  146    HA   ILE  22           HA       ILE  22   9.839   3.368  -6.294
  147    HB   ILE  22           HB       ILE  22  10.880   1.920  -4.659
  148   1HG1  ILE  22          1HG1      ILE  22   8.988   0.354  -4.401
  149   2HG1  ILE  22          2HG1      ILE  22   7.915   1.617  -4.966
  150   1HG2  ILE  22          1HG2      ILE  22   9.840   1.463  -2.504
  151   2HG2  ILE  22          2HG2      ILE  22   8.710   2.787  -2.788
  152   3HG2  ILE  22          3HG2      ILE  22  10.432   3.121  -2.605
  153   1HD1  ILE  22          1HD1      ILE  22   8.436   0.078  -6.756
  154   2HD1  ILE  22          2HD1      ILE  22  10.162   0.355  -6.523
  155   3HD1  ILE  22          3HD1      ILE  22   9.128   1.664  -7.095
  156    H    THR  23           H        THR  23   7.721   3.031  -6.302
  157    HA   THR  23           HA       THR  23   6.023   4.813  -4.746
  158    HB   THR  23           HB       THR  23   5.803   4.848  -7.744
  159    HG1  THR  23           HG1      THR  23   7.563   6.169  -6.108
  160   1HG2  THR  23          1HG2      THR  23   3.777   5.430  -6.507
  161   2HG2  THR  23          2HG2      THR  23   4.440   6.853  -7.313
  162   3HG2  THR  23          3HG2      THR  23   4.677   6.629  -5.579
  163    H    PHE  24           H        PHE  24   4.307   3.851  -4.179
  164    HA   PHE  24           HA       PHE  24   3.168   1.726  -5.849
  165   1HB   PHE  24          1HB       PHE  24   3.030   1.886  -2.836
  166   2HB   PHE  24          2HB       PHE  24   2.433   0.595  -3.849
  167    HD1  PHE  24           HD1      PHE  24   4.372  -0.399  -5.460
  168    HD2  PHE  24           HD2      PHE  24   4.943   1.470  -1.684
  169    HE1  PHE  24           HE1      PHE  24   6.508  -1.585  -5.200
  170    HE2  PHE  24           HE2      PHE  24   7.083   0.283  -1.415
  171    HZ   PHE  24           HZ       PHE  24   7.866  -1.246  -3.171
  172    H    SER  25           H        SER  25   0.990   1.740  -5.977
  173    HA   SER  25           HA       SER  25  -0.533   3.853  -4.716
  174   1HB   SER  25          1HB       SER  25  -1.467   3.376  -7.399
  175   2HB   SER  25          2HB       SER  25  -1.011   4.889  -6.631
  176    HG   SER  25           HG       SER  25   0.687   4.841  -7.855
  177    H    ALA  26           H        ALA  26  -2.186   3.074  -3.811
  178    HA   ALA  26           HA       ALA  26  -3.334   0.514  -4.719
  179   1HB   ALA  26          1HB       ALA  26  -3.969   0.144  -2.314
  180   2HB   ALA  26          2HB       ALA  26  -2.974   1.545  -1.904
  181   3HB   ALA  26          3HB       ALA  26  -2.234   0.129  -2.621
  182    H    ARG  27           H        ARG  27  -5.294   0.750  -5.526
  183    HA   ARG  27           HA       ARG  27  -6.875   3.104  -4.727
  184   1HB   ARG  27          1HB       ARG  27  -6.903   1.468  -7.270
  185   2HB   ARG  27          2HB       ARG  27  -8.064   2.735  -6.910
  186   1HG   ARG  27          1HG       ARG  27  -6.327   4.397  -6.891
  187   2HG   ARG  27          2HG       ARG  27  -5.093   3.152  -7.084
  188   1HD   ARG  27          1HD       ARG  27  -5.991   2.570  -9.272
  189   2HD   ARG  27          2HD       ARG  27  -7.269   3.771  -9.084
  190    HE   ARG  27           HE       ARG  27  -5.008   5.224  -8.781
  191   1HH1  ARG  27          1HH1      ARG  27  -6.135   3.041 -11.288
  192   2HH1  ARG  27          2HH1      ARG  27  -5.242   3.831 -12.543
  193   1HH2  ARG  27          1HH2      ARG  27  -3.831   6.250 -10.448
  194   2HH2  ARG  27          2HH2      ARG  27  -3.915   5.624 -12.069
  195    H    VAL  28           H        VAL  28  -8.580   2.694  -3.448
  196    HA   VAL  28           HA       VAL  28  -9.795   0.052  -3.600
  197    HB   VAL  28           HB       VAL  28  -9.665   1.672  -1.076
  198   1HG1  VAL  28          1HG1      VAL  28 -11.416  -0.062  -1.273
  199   2HG1  VAL  28          2HG1      VAL  28 -10.242  -0.427  -0.007
  200   3HG1  VAL  28          3HG1      VAL  28 -10.161  -1.269  -1.554
  201   1HG2  VAL  28          1HG2      VAL  28  -7.849   0.038  -0.419
  202   2HG2  VAL  28          2HG2      VAL  28  -7.401   1.284  -1.582
  203   3HG2  VAL  28          3HG2      VAL  28  -7.720  -0.364  -2.130
  204    H    ALA  29           H        ALA  29 -11.753   0.030  -3.934
  205    HA   ALA  29           HA       ALA  29 -13.393   2.145  -4.599
  206   1HB   ALA  29          1HB       ALA  29 -15.198   0.474  -4.624
  207   2HB   ALA  29          2HB       ALA  29 -14.116  -0.672  -3.828
  208   3HB   ALA  29          3HB       ALA  29 -13.742  -0.087  -5.449
  209    H    GLY  30           H        GLY  30 -13.940   3.650  -3.231
  210   1HA   GLY  30          1HA       GLY  30 -14.486   3.527  -0.504
  211   2HA   GLY  30          2HA       GLY  30 -15.185   4.709  -1.604
  212    H    ALA  31           H        ALA  31 -16.731   3.144  -3.192
  213    HA   ALA  31           HA       ALA  31 -18.603   1.933  -3.470
  214   1HB   ALA  31          1HB       ALA  31 -17.784   0.392  -1.029
  215   2HB   ALA  31          2HB       ALA  31 -17.039   0.192  -2.616
  216   3HB   ALA  31          3HB       ALA  31 -18.753  -0.164  -2.396
  217    H    SER  32           H        SER  32 -20.544   0.892  -2.243
  218    HA   SER  32           HA       SER  32 -21.670   2.933  -0.467
  219   1HB   SER  32          1HB       SER  32 -23.844   1.744  -1.041
  220   2HB   SER  32          2HB       SER  32 -23.033   2.512  -2.407
  221    HG   SER  32           HG       SER  32 -23.334  -0.202  -1.793
  222    H    LEU  33           H        LEU  33 -19.771   0.781   0.218
  223    HA   LEU  33           HA       LEU  33 -20.867  -1.340   1.598
  224   1HB   LEU  33          1HB       LEU  33 -18.712  -1.571   2.690
  225   2HB   LEU  33          2HB       LEU  33 -18.544  -1.229   0.983
  226    HG   LEU  33           HG       LEU  33 -17.405   0.121   3.263
  227   1HD1  LEU  33          1HD1      LEU  33 -16.956   0.600   0.327
  228   2HD1  LEU  33          2HD1      LEU  33 -16.342  -0.809   1.181
  229   3HD1  LEU  33          3HD1      LEU  33 -15.812   0.805   1.653
  230   1HD2  LEU  33          1HD2      LEU  33 -19.344   1.722   2.751
  231   2HD2  LEU  33          2HD2      LEU  33 -18.472   2.084   1.257
  232   3HD2  LEU  33          3HD2      LEU  33 -17.712   2.379   2.815
  233    H    LEU  34           H        LEU  34 -20.378  -1.687   4.030
  234    HA   LEU  34           HA       LEU  34 -22.211  -0.153   5.529
  235   1HB   LEU  34          1HB       LEU  34 -21.588  -2.530   5.964
  236   2HB   LEU  34          2HB       LEU  34 -20.031  -1.972   6.543
  237    HG   LEU  34           HG       LEU  34 -21.426  -0.556   8.203
  238   1HD1  LEU  34          1HD1      LEU  34 -23.595  -0.944   7.199
  239   2HD1  LEU  34          2HD1      LEU  34 -23.553  -1.591   8.840
  240   3HD1  LEU  34          3HD1      LEU  34 -23.427  -2.679   7.458
  241   1HD2  LEU  34          1HD2      LEU  34 -21.407  -2.397   9.808
  242   2HD2  LEU  34          2HD2      LEU  34 -19.943  -2.399   8.823
  243   3HD2  LEU  34          3HD2      LEU  34 -21.236  -3.553   8.487
  244    H    LYS  35           H        LYS  35 -18.715  -0.491   5.817
  245    HA   LYS  35           HA       LYS  35 -18.547   2.306   6.629
  246   1HB   LYS  35          1HB       LYS  35 -16.594   1.524   8.134
  247   2HB   LYS  35          2HB       LYS  35 -18.227   1.233   8.710
  248   1HG   LYS  35          1HG       LYS  35 -17.186  -0.772   9.167
  249   2HG   LYS  35          2HG       LYS  35 -17.936  -1.100   7.607
  250   1HD   LYS  35          1HD       LYS  35 -15.786  -1.958   7.368
  251   2HD   LYS  35          2HD       LYS  35 -15.685  -0.374   6.603
  252   1HE   LYS  35          1HE       LYS  35 -13.741  -0.716   7.966
  253   2HE   LYS  35          2HE       LYS  35 -14.743   0.532   8.703
  254   1HZ   LYS  35          1HZ       LYS  35 -14.763  -2.324   9.530
  255   2HZ   LYS  35          2HZ       LYS  35 -15.545  -1.035  10.305
  256   3HZ   LYS  35          3HZ       LYS  35 -13.849  -1.120  10.297
  257    HA   PRO  36           HA       PRO  36 -15.699   2.818   3.289
  258   1HB   PRO  36          1HB       PRO  36 -13.994   4.128   5.373
  259   2HB   PRO  36          2HB       PRO  36 -14.427   4.704   3.758
  260   1HG   PRO  36          1HG       PRO  36 -15.630   5.705   5.910
  261   2HG   PRO  36          2HG       PRO  36 -16.549   5.385   4.427
  262   1HD   PRO  36          1HD       PRO  36 -16.506   3.882   6.992
  263   2HD   PRO  36          2HD       PRO  36 -17.833   4.106   5.838
  264    HA   PRO  37           HA       PRO  37 -13.315  -0.758   3.886
  265   1HB   PRO  37          1HB       PRO  37 -11.242  -0.146   2.086
  266   2HB   PRO  37          2HB       PRO  37 -12.640  -1.183   1.813
  267   1HG   PRO  37          1HG       PRO  37 -12.126   1.437   0.744
  268   2HG   PRO  37          2HG       PRO  37 -13.485   0.352   0.408
  269   1HD   PRO  37          1HD       PRO  37 -13.501   2.764   1.916
  270   2HD   PRO  37          2HD       PRO  37 -14.848   1.636   1.626
  271    H    VAL  38           H        VAL  38 -11.788  -1.357   5.260
  272    HA   VAL  38           HA       VAL  38  -9.876   0.667   6.051
  273    HB   VAL  38           HB       VAL  38 -11.237  -0.183   7.872
  274   1HG1  VAL  38          1HG1      VAL  38  -9.891  -2.819   7.428
  275   2HG1  VAL  38          2HG1      VAL  38 -11.608  -2.469   7.222
  276   3HG1  VAL  38          3HG1      VAL  38 -10.880  -2.402   8.827
  277   1HG2  VAL  38          1HG2      VAL  38  -9.091   0.750   8.359
  278   2HG2  VAL  38          2HG2      VAL  38  -8.318  -0.807   8.066
  279   3HG2  VAL  38          3HG2      VAL  38  -9.392  -0.604   9.450
  280    H    VAL  39           H        VAL  39  -8.323   0.518   4.953
  281    HA   VAL  39           HA       VAL  39  -7.153  -2.018   4.185
  282    HB   VAL  39           HB       VAL  39  -6.130   0.570   3.152
  283   1HG1  VAL  39          1HG1      VAL  39  -4.950  -1.433   2.580
  284   2HG1  VAL  39          2HG1      VAL  39  -5.697  -0.754   1.134
  285   3HG1  VAL  39          3HG1      VAL  39  -6.422  -2.153   1.926
  286   1HG2  VAL  39          1HG2      VAL  39  -8.542  -0.727   1.912
  287   2HG2  VAL  39          2HG2      VAL  39  -7.749   0.770   1.418
  288   3HG2  VAL  39          3HG2      VAL  39  -8.612   0.693   2.952
  289    H    LYS  40           H        LYS  40  -5.668  -2.533   5.524
  290    HA   LYS  40           HA       LYS  40  -3.985  -0.544   6.718
  291   1HB   LYS  40          1HB       LYS  40  -3.142  -2.483   8.108
  292   2HB   LYS  40          2HB       LYS  40  -4.762  -1.925   8.441
  293   1HG   LYS  40          1HG       LYS  40  -5.034  -4.201   8.475
  294   2HG   LYS  40          2HG       LYS  40  -5.437  -3.822   6.800
  295   1HD   LYS  40          1HD       LYS  40  -3.995  -5.742   6.790
  296   2HD   LYS  40          2HD       LYS  40  -3.058  -4.373   6.187
  297   1HE   LYS  40          1HE       LYS  40  -1.692  -5.634   7.695
  298   2HE   LYS  40          2HE       LYS  40  -2.105  -4.103   8.464
  299   1HZ   LYS  40          1HZ       LYS  40  -3.537  -6.654   8.981
  300   2HZ   LYS  40          2HZ       LYS  40  -3.707  -5.192   9.826
  301   3HZ   LYS  40          3HZ       LYS  40  -2.264  -6.072   9.935
  302    H    TRP  41           H        TRP  41  -2.252  -0.206   6.006
  303    HA   TRP  41           HA       TRP  41  -0.980  -1.854   4.047
  304   1HB   TRP  41          1HB       TRP  41  -0.304   0.768   5.327
  305   2HB   TRP  41          2HB       TRP  41   0.811  -0.053   4.235
  306    HD1  TRP  41           HD1      TRP  41  -2.615   1.638   4.292
  307    HE1  TRP  41           HE1      TRP  41  -3.175   2.292   1.835
  308    HE3  TRP  41           HE3      TRP  41   1.190  -0.770   1.908
  309    HZ2  TRP  41           HZ2      TRP  41  -2.216   1.708  -0.741
  310    HZ3  TRP  41           HZ3      TRP  41   1.280  -0.715  -0.550
  311    HH2  TRP  41           HH2      TRP  41  -0.395   0.515  -1.839
  312    H    PHE  42           H        PHE  42   0.983  -2.700   4.157
  313    HA   PHE  42           HA       PHE  42   2.300  -2.945   6.755
  314   1HB   PHE  42          1HB       PHE  42   1.086  -5.107   6.037
  315   2HB   PHE  42          2HB       PHE  42   2.235  -5.176   4.709
  316    HD1  PHE  42           HD1      PHE  42   4.605  -5.627   5.133
  317    HD2  PHE  42           HD2      PHE  42   1.748  -5.614   8.284
  318    HE1  PHE  42           HE1      PHE  42   6.222  -6.778   6.595
  319    HE2  PHE  42           HE2      PHE  42   3.359  -6.762   9.750
  320    HZ   PHE  42           HZ       PHE  42   5.594  -7.343   8.907
  321    H    LYS  43           H        LYS  43   4.533  -2.784   6.524
  322    HA   LYS  43           HA       LYS  43   5.266  -1.640   3.911
  323   1HB   LYS  43          1HB       LYS  43   5.286   0.007   5.703
  324   2HB   LYS  43          2HB       LYS  43   6.215  -1.059   6.746
  325   1HG   LYS  43          1HG       LYS  43   8.142  -0.821   5.255
  326   2HG   LYS  43          2HG       LYS  43   7.202   0.272   4.232
  327   1HD   LYS  43          1HD       LYS  43   7.191   1.962   5.808
  328   2HD   LYS  43          2HD       LYS  43   7.444   0.839   7.157
  329   1HE   LYS  43          1HE       LYS  43   9.743   0.414   5.978
  330   2HE   LYS  43          2HE       LYS  43   9.426   1.982   5.235
  331   1HZ   LYS  43          1HZ       LYS  43  10.711   2.261   7.242
  332   2HZ   LYS  43          2HZ       LYS  43   9.565   1.410   8.146
  333   3HZ   LYS  43          3HZ       LYS  43   9.168   2.910   7.481
  334    H    GLY  44           H        GLY  44   7.544  -2.009   3.364
  335   1HA   GLY  44          1HA       GLY  44   8.809  -3.970   2.677
  336   2HA   GLY  44          2HA       GLY  44   9.724  -2.984   3.767
  337    H    LYS  45           H        LYS  45  10.996  -4.875   4.005
  338    HA   LYS  45           HA       LYS  45  10.317  -7.446   4.417
  339   1HB   LYS  45          1HB       LYS  45  12.573  -5.729   5.030
  340   2HB   LYS  45          2HB       LYS  45  12.483  -7.101   6.125
  341   1HG   LYS  45          1HG       LYS  45  12.533  -8.631   4.245
  342   2HG   LYS  45          2HG       LYS  45  12.507  -7.274   3.116
  343   1HD   LYS  45          1HD       LYS  45  14.768  -8.093   3.335
  344   2HD   LYS  45          2HD       LYS  45  14.656  -6.493   4.063
  345   1HE   LYS  45          1HE       LYS  45  15.958  -7.886   5.513
  346   2HE   LYS  45          2HE       LYS  45  14.399  -7.591   6.283
  347   1HZ   LYS  45          1HZ       LYS  45  15.083  -9.917   6.459
  348   2HZ   LYS  45          2HZ       LYS  45  15.122 -10.045   4.768
  349   3HZ   LYS  45          3HZ       LYS  45  13.655  -9.757   5.557
  350    H    TRP  46           H        TRP  46   9.249  -5.159   6.738
  351    HA   TRP  46           HA       TRP  46   8.420  -7.182   8.547
  352   1HB   TRP  46          1HB       TRP  46   9.733  -6.217  10.454
  353   2HB   TRP  46          2HB       TRP  46  10.594  -7.253   9.339
  354    HD1  TRP  46           HD1      TRP  46  12.214  -5.936   7.554
  355    HE1  TRP  46           HE1      TRP  46  13.529  -3.751   7.822
  356    HE3  TRP  46           HE3      TRP  46   9.741  -4.051  11.584
  357    HZ2  TRP  46           HZ2      TRP  46  13.511  -1.499   9.555
  358    HZ3  TRP  46           HZ3      TRP  46  10.442  -1.882  12.494
  359    HH2  TRP  46           HH2      TRP  46  12.277  -0.631  11.500
  360    H    VAL  47           H        VAL  47   8.187  -3.999   7.537
  361    HA   VAL  47           HA       VAL  47   7.663  -2.842  10.053
  362    HB   VAL  47           HB       VAL  47   7.565  -1.019   7.816
  363   1HG1  VAL  47          1HG1      VAL  47   9.346   0.069   9.119
  364   2HG1  VAL  47          2HG1      VAL  47   9.392  -1.349  10.169
  365   3HG1  VAL  47          3HG1      VAL  47   7.940  -0.355  10.089
  366   1HG2  VAL  47          1HG2      VAL  47  10.022  -1.176   7.275
  367   2HG2  VAL  47          2HG2      VAL  47   9.016  -2.441   6.581
  368   3HG2  VAL  47          3HG2      VAL  47  10.003  -2.783   8.004
  369    H    ASP  48           H        ASP  48   6.114  -1.218  10.059
  370    HA   ASP  48           HA       ASP  48   3.651  -1.729   8.661
  371   1HB   ASP  48          1HB       ASP  48   2.659  -0.486  10.552
  372   2HB   ASP  48          2HB       ASP  48   3.387  -1.988  11.061
  373    H    LEU  49           H        LEU  49   2.593   0.127   7.878
  374    HA   LEU  49           HA       LEU  49   4.277   2.422   7.398
  375   1HB   LEU  49          1HB       LEU  49   1.712   1.397   6.262
  376   2HB   LEU  49          2HB       LEU  49   2.108   3.090   6.077
  377    HG   LEU  49           HG       LEU  49   4.395   1.999   5.177
  378   1HD1  LEU  49          1HD1      LEU  49   3.996   0.158   3.811
  379   2HD1  LEU  49          2HD1      LEU  49   2.257   0.191   4.108
  380   3HD1  LEU  49          3HD1      LEU  49   3.373  -0.291   5.398
  381   1HD2  LEU  49          1HD2      LEU  49   3.218   3.634   3.984
  382   2HD2  LEU  49          2HD2      LEU  49   1.847   2.548   3.730
  383   3HD2  LEU  49          3HD2      LEU  49   3.384   2.237   2.921
  384    H    SER  50           H        SER  50   1.569   1.658   9.410
  385    HA   SER  50           HA       SER  50   0.166   4.053   9.166
  386   1HB   SER  50          1HB       SER  50  -0.788   1.920  10.059
  387   2HB   SER  50          2HB       SER  50   0.185   2.133  11.511
  388    HG   SER  50           HG       SER  50  -1.415   4.286  10.760
  389    H    SER  51           H        SER  51   2.942   3.083  10.940
  390    HA   SER  51           HA       SER  51   2.780   5.511  12.416
  391   1HB   SER  51          1HB       SER  51   4.388   3.046  12.940
  392   2HB   SER  51          2HB       SER  51   4.536   4.524  13.880
  393    HG   SER  51           HG       SER  51   2.549   2.605  13.889
  394    H    LYS  52           H        LYS  52   4.824   3.732  10.290
  395    HA   LYS  52           HA       LYS  52   7.203   5.174  10.594
  396   1HB   LYS  52          1HB       LYS  52   6.053   3.311   8.557
  397   2HB   LYS  52          2HB       LYS  52   7.644   4.014   8.358
  398   1HG   LYS  52          1HG       LYS  52   7.528   1.732   9.312
  399   2HG   LYS  52          2HG       LYS  52   8.497   2.895  10.203
  400   1HD   LYS  52          1HD       LYS  52   6.354   3.211  11.625
  401   2HD   LYS  52          2HD       LYS  52   5.834   1.678  10.904
  402   1HE   LYS  52          1HE       LYS  52   7.873   0.606  11.756
  403   2HE   LYS  52          2HE       LYS  52   8.381   2.129  12.478
  404   1HZ   LYS  52          1HZ       LYS  52   5.907   0.647  13.175
  405   2HZ   LYS  52          2HZ       LYS  52   6.455   2.075  13.915
  406   3HZ   LYS  52          3HZ       LYS  52   7.336   0.641  14.081
  407    H    VAL  53           H        VAL  53   4.927   5.023   8.090
  408    HA   VAL  53           HA       VAL  53   5.355   6.550   6.148
  409    HB   VAL  53           HB       VAL  53   2.952   6.261   7.828
  410   1HG1  VAL  53          1HG1      VAL  53   3.101   7.898   5.283
  411   2HG1  VAL  53          2HG1      VAL  53   2.608   8.487   6.876
  412   3HG1  VAL  53          3HG1      VAL  53   1.601   7.315   6.013
  413   1HG2  VAL  53          1HG2      VAL  53   3.870   5.358   5.131
  414   2HG2  VAL  53          2HG2      VAL  53   2.232   5.104   5.730
  415   3HG2  VAL  53          3HG2      VAL  53   3.601   4.395   6.591
  416    H    GLY  54           H        GLY  54   6.571   8.002   6.085
  417   1HA   GLY  54          1HA       GLY  54   5.816  10.683   6.832
  418   2HA   GLY  54          2HA       GLY  54   7.166  10.091   7.791
  419    H    GLN  55           H        GLN  55   9.005  10.865   7.048
  420    HA   GLN  55           HA       GLN  55   9.235  12.343   4.707
  421   1HB   GLN  55          1HB       GLN  55  11.438  11.112   6.363
  422   2HB   GLN  55          2HB       GLN  55  11.631  12.435   5.220
  423   1HG   GLN  55          1HG       GLN  55   9.874  12.541   7.658
  424   2HG   GLN  55          2HG       GLN  55  11.530  13.140   7.597
  425   1HE2  GLN  55          1HE2      GLN  55  11.283  14.140   4.886
  426   2HE2  GLN  55          2HE2      GLN  55  10.324  15.576   4.988
  427    H    HIS  56           H        HIS  56  10.083   8.952   5.243
  428    HA   HIS  56           HA       HIS  56  11.336   8.849   2.598
  429   1HB   HIS  56          1HB       HIS  56  11.919   6.466   3.315
  430   2HB   HIS  56          2HB       HIS  56  12.690   7.786   4.168
  431    HD1  HIS  56           HD1      HIS  56   9.737   5.455   4.664
  432    HD2  HIS  56           HD2      HIS  56  12.528   7.618   6.848
  433    HE1  HIS  56           HE1      HIS  56   9.290   4.890   7.074
  434    HE2  HIS  56           HE2      HIS  56  10.833   6.407   8.369
  435    H    LEU  57           H        LEU  57   8.683   7.381   4.317
  436    HA   LEU  57           HA       LEU  57   7.498   6.821   1.764
  437   1HB   LEU  57          1HB       LEU  57   7.732   4.695   2.139
  438   2HB   LEU  57          2HB       LEU  57   8.137   4.923   3.758
  439    HG   LEU  57           HG       LEU  57   5.851   4.602   4.502
  440   1HD1  LEU  57          1HD1      LEU  57   4.751   5.919   2.762
  441   2HD1  LEU  57          2HD1      LEU  57   4.010   4.334   2.979
  442   3HD1  LEU  57          3HD1      LEU  57   5.075   4.629   1.602
  443   1HD2  LEU  57          1HD2      LEU  57   7.087   2.602   4.002
  444   2HD2  LEU  57          2HD2      LEU  57   6.526   2.666   2.330
  445   3HD2  LEU  57          3HD2      LEU  57   5.373   2.410   3.639
  446    H    GLN  58           H        GLN  58   6.060   8.384   1.705
  447    HA   GLN  58           HA       GLN  58   4.292   8.842   3.908
  448   1HB   GLN  58          1HB       GLN  58   4.145  10.008   1.123
  449   2HB   GLN  58          2HB       GLN  58   3.391  10.628   2.579
  450   1HG   GLN  58          1HG       GLN  58   5.112  12.081   2.306
  451   2HG   GLN  58          2HG       GLN  58   5.841  10.926   3.400
  452   1HE2  GLN  58          1HE2      GLN  58   7.583   9.748   2.705
  453   2HE2  GLN  58          2HE2      GLN  58   8.334   9.958   1.154
  454    H    LEU  59           H        LEU  59   2.802   7.457   4.075
  455    HA   LEU  59           HA       LEU  59   1.512   6.167   1.828
  456   1HB   LEU  59          1HB       LEU  59   2.026   5.046   4.175
  457   2HB   LEU  59          2HB       LEU  59   0.658   5.966   4.738
  458    HG   LEU  59           HG       LEU  59   0.677   3.658   2.805
  459   1HD1  LEU  59          1HD1      LEU  59  -0.291   4.261   5.553
  460   2HD1  LEU  59          2HD1      LEU  59   0.652   2.887   4.944
  461   3HD1  LEU  59          3HD1      LEU  59  -1.074   3.004   4.584
  462   1HD2  LEU  59          1HD2      LEU  59  -1.600   5.548   3.378
  463   2HD2  LEU  59          2HD2      LEU  59  -1.744   3.981   2.577
  464   3HD2  LEU  59          3HD2      LEU  59  -0.802   5.279   1.822
  465    H    HIS  60           H        HIS  60   0.575   7.856   0.865
  466    HA   HIS  60           HA       HIS  60  -1.082   9.703   2.234
  467   1HB   HIS  60          1HB       HIS  60   0.110   9.560  -0.423
  468   2HB   HIS  60          2HB       HIS  60  -1.544  10.116  -0.435
  469    HD1  HIS  60           HD1      HIS  60  -1.059  12.537  -1.000
  470    HD2  HIS  60           HD2      HIS  60   0.962  11.195   2.380
  471    HE1  HIS  60           HE1      HIS  60  -0.080  14.586   0.066
  472    HE2  HIS  60           HE2      HIS  60   0.907  13.775   2.239
  473    H    ASP  61           H        ASP  61  -3.025  10.100   1.333
  474    HA   ASP  61           HA       ASP  61  -4.589   7.886   0.446
  475   1HB   ASP  61          1HB       ASP  61  -6.269   8.419   2.200
  476   2HB   ASP  61          2HB       ASP  61  -4.858   7.546   2.737
  477    H    SER  62           H        SER  62  -5.589   8.547  -1.080
  478    HA   SER  62           HA       SER  62  -6.688  11.251  -1.208
  479   1HB   SER  62          1HB       SER  62  -6.803   9.317  -3.472
  480   2HB   SER  62          2HB       SER  62  -6.826  11.071  -3.526
  481    HG   SER  62           HG       SER  62  -4.581   9.490  -2.783
  482    H    TYR  63           H        TYR  63  -8.887  11.503  -1.681
  483    HA   TYR  63           HA       TYR  63 -10.523   9.166  -1.385
  484   1HB   TYR  63          1HB       TYR  63 -10.438   9.603   0.830
  485   2HB   TYR  63          2HB       TYR  63 -10.296  11.338   0.638
  486    HD1  TYR  63           HD1      TYR  63 -12.136  12.640   1.163
  487    HD2  TYR  63           HD2      TYR  63 -12.759   8.568   0.118
  488    HE1  TYR  63           HE1      TYR  63 -14.522  12.879   1.694
  489    HE2  TYR  63           HE2      TYR  63 -15.151   8.796   0.645
  490    HH   TYR  63           HH       TYR  63 -16.604  10.213   2.013
  491    H    ASP  64           H        ASP  64 -11.294   9.366  -3.294
  492    HA   ASP  64           HA       ASP  64 -13.082  11.678  -3.661
  493   1HB   ASP  64          1HB       ASP  64 -11.242  11.317  -5.390
  494   2HB   ASP  64          2HB       ASP  64 -12.237   9.983  -5.949
  495    H    ARG  65           H        ARG  65 -14.967  11.242  -3.383
  496    HA   ARG  65           HA       ARG  65 -16.013   8.576  -3.217
  497   1HB   ARG  65          1HB       ARG  65 -16.536  10.969  -1.965
  498   2HB   ARG  65          2HB       ARG  65 -17.942  10.742  -3.005
  499   1HG   ARG  65          1HG       ARG  65 -16.863   8.761  -1.045
  500   2HG   ARG  65          2HG       ARG  65 -18.282   9.782  -0.802
  501   1HD   ARG  65          1HD       ARG  65 -19.328   8.751  -2.778
  502   2HD   ARG  65          2HD       ARG  65 -17.930   7.694  -2.948
  503    HE   ARG  65           HE       ARG  65 -18.590   6.888  -0.610
  504   1HH1  ARG  65          1HH1      ARG  65 -20.873   8.060  -3.003
  505   2HH1  ARG  65          2HH1      ARG  65 -22.191   7.098  -2.407
  506   1HH2  ARG  65          1HH2      ARG  65 -20.342   5.611   0.168
  507   2HH2  ARG  65          2HH2      ARG  65 -21.893   5.726  -0.607
  508    H    ALA  66           H        ALA  66 -16.390  11.343  -5.287
  509    HA   ALA  66           HA       ALA  66 -18.494  10.373  -6.877
  510   1HB   ALA  66          1HB       ALA  66 -17.849  12.105  -8.479
  511   2HB   ALA  66          2HB       ALA  66 -16.355  12.368  -7.577
  512   3HB   ALA  66          3HB       ALA  66 -17.912  12.728  -6.833
  513    H    SER  67           H        SER  67 -15.083   9.833  -6.888
  514    HA   SER  67           HA       SER  67 -15.268   8.248  -9.344
  515   1HB   SER  67          1HB       SER  67 -12.839   8.693  -7.597
  516   2HB   SER  67          2HB       SER  67 -12.875   8.149  -9.278
  517    HG   SER  67           HG       SER  67 -13.620  10.711  -8.275
  518    H    LYS  68           H        LYS  68 -15.331   8.079  -5.987
  519    HA   LYS  68           HA       LYS  68 -15.779   6.451  -4.498
  520   1HB   LYS  68          1HB       LYS  68 -17.159   5.666  -6.594
  521   2HB   LYS  68          2HB       LYS  68 -15.927   4.420  -6.658
  522   1HG   LYS  68          1HG       LYS  68 -16.511   4.020  -4.187
  523   2HG   LYS  68          2HG       LYS  68 -17.982   4.926  -4.555
  524   1HD   LYS  68          1HD       LYS  68 -18.719   2.819  -5.043
  525   2HD   LYS  68          2HD       LYS  68 -18.041   3.258  -6.614
  526   1HE   LYS  68          1HE       LYS  68 -15.907   2.162  -5.922
  527   2HE   LYS  68          2HE       LYS  68 -16.716   1.616  -4.444
  528   1HZ   LYS  68          1HZ       LYS  68 -16.743  -0.120  -6.117
  529   2HZ   LYS  68          2HZ       LYS  68 -17.478   0.903  -7.246
  530   3HZ   LYS  68          3HZ       LYS  68 -18.328   0.426  -5.859
  531    H    VAL  69           H        VAL  69 -13.100   7.048  -5.339
  532    HA   VAL  69           HA       VAL  69 -11.823   4.480  -4.734
  533    HB   VAL  69           HB       VAL  69 -10.423   6.564  -6.347
  534   1HG1  VAL  69          1HG1      VAL  69 -10.041   3.605  -5.984
  535   2HG1  VAL  69          2HG1      VAL  69  -9.035   4.904  -5.344
  536   3HG1  VAL  69          3HG1      VAL  69  -9.095   4.611  -7.082
  537   1HG2  VAL  69          1HG2      VAL  69 -12.095   4.319  -7.483
  538   2HG2  VAL  69          2HG2      VAL  69 -10.979   5.324  -8.407
  539   3HG2  VAL  69          3HG2      VAL  69 -12.402   6.046  -7.660
  540    H    TYR  70           H        TYR  70 -10.780   4.588  -2.952
  541    HA   TYR  70           HA       TYR  70  -9.559   7.083  -2.062
  542   1HB   TYR  70          1HB       TYR  70  -9.428   4.476  -0.590
  543   2HB   TYR  70          2HB       TYR  70  -9.114   6.076   0.030
  544    HD1  TYR  70           HD1      TYR  70 -10.810   4.317   1.600
  545    HD2  TYR  70           HD2      TYR  70 -11.842   6.868  -1.645
  546    HE1  TYR  70           HE1      TYR  70 -13.113   4.450   2.441
  547    HE2  TYR  70           HE2      TYR  70 -14.148   7.005  -0.809
  548    HH   TYR  70           HH       TYR  70 -15.071   5.925   2.280
  549    H    LEU  71           H        LEU  71  -7.719   7.339  -2.947
  550    HA   LEU  71           HA       LEU  71  -6.130   5.038  -3.718
  551   1HB   LEU  71          1HB       LEU  71  -6.410   6.449  -5.599
  552   2HB   LEU  71          2HB       LEU  71  -6.041   7.889  -4.670
  553    HG   LEU  71           HG       LEU  71  -3.713   7.282  -4.520
  554   1HD1  LEU  71          1HD1      LEU  71  -2.812   5.278  -5.594
  555   2HD1  LEU  71          2HD1      LEU  71  -4.451   4.741  -5.968
  556   3HD1  LEU  71          3HD1      LEU  71  -3.925   4.871  -4.286
  557   1HD2  LEU  71          1HD2      LEU  71  -4.423   8.442  -6.542
  558   2HD2  LEU  71          2HD2      LEU  71  -4.718   6.890  -7.332
  559   3HD2  LEU  71          3HD2      LEU  71  -3.079   7.346  -6.865
  560    H    PHE  72           H        PHE  72  -5.041   4.463  -2.127
  561    HA   PHE  72           HA       PHE  72  -3.592   6.286  -0.462
  562   1HB   PHE  72          1HB       PHE  72  -3.649   3.307  -0.619
  563   2HB   PHE  72          2HB       PHE  72  -2.744   4.192   0.588
  564    HD1  PHE  72           HD1      PHE  72  -6.029   3.042  -0.494
  565    HD2  PHE  72           HD2      PHE  72  -3.909   5.372   2.369
  566    HE1  PHE  72           HE1      PHE  72  -8.014   3.052   0.961
  567    HE2  PHE  72           HE2      PHE  72  -5.892   5.392   3.824
  568    HZ   PHE  72           HZ       PHE  72  -7.948   4.228   3.120
  569    H    GLU  73           H        GLU  73  -1.878   7.066  -1.120
  570    HA   GLU  73           HA       GLU  73  -0.331   5.861  -3.292
  571   1HB   GLU  73          1HB       GLU  73  -0.001   8.704  -2.471
  572   2HB   GLU  73          2HB       GLU  73   0.326   7.955  -4.020
  573   1HG   GLU  73          1HG       GLU  73  -1.986   7.899  -4.570
  574   2HG   GLU  73          2HG       GLU  73  -2.444   8.386  -2.934
  575    H    LEU  74           H        LEU  74   1.476   5.097  -2.755
  576    HA   LEU  74           HA       LEU  74   2.804   5.822  -0.290
  577   1HB   LEU  74          1HB       LEU  74   3.463   3.780  -2.406
  578   2HB   LEU  74          2HB       LEU  74   4.465   4.057  -0.998
  579    HG   LEU  74           HG       LEU  74   3.071   2.091  -0.670
  580   1HD1  LEU  74          1HD1      LEU  74   2.012   2.765   1.431
  581   2HD1  LEU  74          2HD1      LEU  74   2.167   4.456   0.949
  582   3HD1  LEU  74          3HD1      LEU  74   3.613   3.488   1.238
  583   1HD2  LEU  74          1HD2      LEU  74   0.746   3.951  -1.106
  584   2HD2  LEU  74          2HD2      LEU  74   0.633   2.283  -0.544
  585   3HD2  LEU  74          3HD2      LEU  74   1.240   2.629  -2.164
  586    H    HIS  75           H        HIS  75   4.293   7.181  -0.316
  587    HA   HIS  75           HA       HIS  75   5.851   7.555  -2.781
  588   1HB   HIS  75          1HB       HIS  75   5.248   9.604  -0.615
  589   2HB   HIS  75          2HB       HIS  75   6.486   9.820  -1.844
  590    HD1  HIS  75           HD1      HIS  75   2.738   9.597  -1.470
  591    HD2  HIS  75           HD2      HIS  75   5.594  10.752  -4.257
  592    HE1  HIS  75           HE1      HIS  75   1.469  10.781  -3.293
  593    HE2  HIS  75           HE2      HIS  75   3.244  11.633  -4.863
  594    H    ILE  76           H        ILE  76   7.245   6.013  -2.299
  595    HA   ILE  76           HA       ILE  76   8.663   6.274   0.262
  596    HB   ILE  76           HB       ILE  76   8.289   3.800  -1.351
  597   1HG1  ILE  76          1HG1      ILE  76   6.786   4.555   1.133
  598   2HG1  ILE  76          2HG1      ILE  76   6.151   4.750  -0.512
  599   1HG2  ILE  76          1HG2      ILE  76  10.224   3.732   0.098
  600   2HG2  ILE  76          2HG2      ILE  76   8.972   2.637   0.687
  601   3HG2  ILE  76          3HG2      ILE  76   9.214   4.198   1.469
  602   1HD1  ILE  76          1HD1      ILE  76   6.313   2.355  -0.895
  603   2HD1  ILE  76          2HD1      ILE  76   5.318   2.713   0.516
  604   3HD1  ILE  76          3HD1      ILE  76   6.968   2.135   0.728
  605    H    THR  77           H        THR  77  10.383   7.296  -0.319
  606    HA   THR  77           HA       THR  77  11.789   6.535  -2.692
  607    HB   THR  77           HB       THR  77  12.612   8.734  -2.880
  608    HG1  THR  77           HG1      THR  77  13.058   9.605  -0.977
  609   1HG2  THR  77          1HG2      THR  77   9.767   8.997  -1.968
  610   2HG2  THR  77          2HG2      THR  77  10.251   8.340  -3.536
  611   3HG2  THR  77          3HG2      THR  77  10.611  10.023  -3.130
  612    H    ASP  78           H        ASP  78  13.900   6.817  -2.600
  613    HA   ASP  78           HA       ASP  78  15.952   6.105  -1.962
  614   1HB   ASP  78          1HB       ASP  78  15.258   7.603   0.510
  615   2HB   ASP  78          2HB       ASP  78  16.844   7.191  -0.121
  616    H    ALA  79           H        ALA  79  14.528   4.189  -1.726
  617    HA   ALA  79           HA       ALA  79  13.727   3.004   0.620
  618   1HB   ALA  79          1HB       ALA  79  14.817   1.633  -1.837
  619   2HB   ALA  79          2HB       ALA  79  13.144   2.128  -1.579
  620   3HB   ALA  79          3HB       ALA  79  13.859   0.872  -0.568
  621    H    GLN  80           H        GLN  80  14.832   2.547   2.352
  622    HA   GLN  80           HA       GLN  80  17.615   2.321   2.599
  623   1HB   GLN  80          1HB       GLN  80  16.344   2.727   4.561
  624   2HB   GLN  80          2HB       GLN  80  15.275   1.367   4.251
  625   1HG   GLN  80          1HG       GLN  80  16.503   0.159   5.610
  626   2HG   GLN  80          2HG       GLN  80  17.830   0.288   4.455
  627   1HE2  GLN  80          1HE2      GLN  80  19.439   1.856   4.801
  628   2HE2  GLN  80          2HE2      GLN  80  19.672   2.598   6.347
  629    HA   PRO  81           HA       PRO  81  18.377  -1.681   0.795
  630   1HB   PRO  81          1HB       PRO  81  20.520  -2.498   2.307
  631   2HB   PRO  81          2HB       PRO  81  20.637  -1.348   0.970
  632   1HG   PRO  81          1HG       PRO  81  20.457  -0.825   3.915
  633   2HG   PRO  81          2HG       PRO  81  21.509  -0.060   2.708
  634   1HD   PRO  81          1HD       PRO  81  19.297   1.155   3.599
  635   2HD   PRO  81          2HD       PRO  81  19.803   1.292   1.903
  636    H    ALA  82           H        ALA  82  17.318  -1.218   3.935
  637    HA   ALA  82           HA       ALA  82  16.847  -4.101   4.301
  638   1HB   ALA  82          1HB       ALA  82  18.168  -3.182   6.119
  639   2HB   ALA  82          2HB       ALA  82  16.561  -3.613   6.698
  640   3HB   ALA  82          3HB       ALA  82  16.963  -1.925   6.392
  641    H    PHE  83           H        PHE  83  15.376  -1.786   2.822
  642    HA   PHE  83           HA       PHE  83  12.804  -1.847   4.225
  643   1HB   PHE  83          1HB       PHE  83  14.092  -0.179   2.144
  644   2HB   PHE  83          2HB       PHE  83  12.368  -0.428   1.971
  645    HD1  PHE  83           HD1      PHE  83  13.458  -0.515   5.346
  646    HD2  PHE  83           HD2      PHE  83  12.350   2.125   2.201
  647    HE1  PHE  83           HE1      PHE  83  13.073   1.269   6.993
  648    HE2  PHE  83           HE2      PHE  83  11.954   3.917   3.839
  649    HZ   PHE  83           HZ       PHE  83  12.262   3.533   6.177
  650    H    THR  84           H        THR  84  14.501  -3.566   1.933
  651    HA   THR  84           HA       THR  84  13.388  -4.377  -0.155
  652    HB   THR  84           HB       THR  84  13.819  -6.402   2.003
  653    HG1  THR  84           HG1      THR  84  16.026  -6.307   0.911
  654   1HG2  THR  84          1HG2      THR  84  12.882  -7.361  -0.011
  655   2HG2  THR  84          2HG2      THR  84  14.592  -7.787   0.069
  656   3HG2  THR  84          3HG2      THR  84  14.050  -6.494  -1.007
  657    H    GLY  85           H        GLY  85  11.545  -3.833  -0.474
  658   1HA   GLY  85          1HA       GLY  85   9.299  -3.603   0.815
  659   2HA   GLY  85          2HA       GLY  85   9.333  -3.989  -0.877
  660    H    GLY  86           H        GLY  86   8.636  -4.992   2.170
  661   1HA   GLY  86          1HA       GLY  86   7.066  -7.007   0.781
  662   2HA   GLY  86          2HA       GLY  86   7.577  -7.219   2.455
  663    H    TYR  87           H        TYR  87   6.159  -4.740   0.487
  664    HA   TYR  87           HA       TYR  87   4.551  -3.698   2.635
  665   1HB   TYR  87          1HB       TYR  87   4.523  -3.073  -0.335
  666   2HB   TYR  87          2HB       TYR  87   3.709  -2.151   0.922
  667    HD1  TYR  87           HD1      TYR  87   6.969  -2.980  -0.567
  668    HD2  TYR  87           HD2      TYR  87   4.927  -0.659   2.355
  669    HE1  TYR  87           HE1      TYR  87   8.985  -1.600  -0.262
  670    HE2  TYR  87           HE2      TYR  87   6.933   0.722   2.665
  671    HH   TYR  87           HH       TYR  87   9.568   0.667   0.562
  672    H    ARG  88           H        ARG  88   2.435  -4.391   3.064
  673    HA   ARG  88           HA       ARG  88   1.126  -6.025   0.995
  674   1HB   ARG  88          1HB       ARG  88   2.159  -7.493   2.700
  675   2HB   ARG  88          2HB       ARG  88   1.230  -6.676   3.948
  676   1HG   ARG  88          1HG       ARG  88  -0.851  -7.410   2.752
  677   2HG   ARG  88          2HG       ARG  88   0.177  -8.389   1.709
  678   1HD   ARG  88          1HD       ARG  88  -0.166  -8.640   4.690
  679   2HD   ARG  88          2HD       ARG  88  -0.696  -9.781   3.455
  680    HE   ARG  88           HE       ARG  88   2.134  -9.298   3.420
  681   1HH1  ARG  88          1HH1      ARG  88  -0.442 -11.221   4.795
  682   2HH1  ARG  88          2HH1      ARG  88   0.613 -12.491   5.344
  683   1HH2  ARG  88          1HH2      ARG  88   3.538 -10.977   4.127
  684   2HH2  ARG  88          2HH2      ARG  88   2.875 -12.358   4.954
  685    H    CYS  89           H        CYS  89  -0.801  -5.186   0.522
  686    HA   CYS  89           HA       CYS  89  -2.115  -3.508   2.540
  687   1HB   CYS  89          1HB       CYS  89  -3.313  -3.859  -0.143
  688   2HB   CYS  89          2HB       CYS  89  -3.205  -2.419   0.859
  689    HG   CYS  89           HG       CYS  89  -0.263  -2.460   0.265
  690    H    GLU  90           H        GLU  90  -3.608  -4.437   3.756
  691    HA   GLU  90           HA       GLU  90  -5.266  -6.519   2.502
  692   1HB   GLU  90          1HB       GLU  90  -4.446  -6.286   5.408
  693   2HB   GLU  90          2HB       GLU  90  -5.617  -7.442   4.794
  694   1HG   GLU  90          1HG       GLU  90  -3.886  -8.468   3.416
  695   2HG   GLU  90          2HG       GLU  90  -2.707  -7.307   4.027
  696    H    VAL  91           H        VAL  91  -7.100  -5.475   1.965
  697    HA   VAL  91           HA       VAL  91  -8.153  -3.477   3.818
  698    HB   VAL  91           HB       VAL  91  -8.115  -2.629   1.616
  699   1HG1  VAL  91          1HG1      VAL  91  -9.158  -3.729  -0.303
  700   2HG1  VAL  91          2HG1      VAL  91  -9.562  -5.111   0.715
  701   3HG1  VAL  91          3HG1      VAL  91  -7.873  -4.723   0.387
  702   1HG2  VAL  91          1HG2      VAL  91 -10.110  -2.000   2.763
  703   2HG2  VAL  91          2HG2      VAL  91 -10.901  -3.504   2.307
  704   3HG2  VAL  91          3HG2      VAL  91 -10.518  -2.304   1.073
  705    H    SER  92           H        SER  92 -10.037  -3.639   4.825
  706    HA   SER  92           HA       SER  92 -11.485  -6.189   4.581
  707   1HB   SER  92          1HB       SER  92  -9.926  -6.320   6.510
  708   2HB   SER  92          2HB       SER  92 -10.671  -4.877   7.191
  709    HG   SER  92           HG       SER  92 -11.444  -6.991   7.976
  710    H    THR  93           H        THR  93 -13.407  -5.620   3.898
  711    HA   THR  93           HA       THR  93 -14.749  -3.374   5.270
  712    HB   THR  93           HB       THR  93 -15.619  -3.880   2.536
  713    HG1  THR  93           HG1      THR  93 -13.046  -3.884   2.923
  714   1HG2  THR  93          1HG2      THR  93 -16.474  -2.021   3.733
  715   2HG2  THR  93          2HG2      THR  93 -15.353  -1.372   2.533
  716   3HG2  THR  93          3HG2      THR  93 -14.858  -1.511   4.217
  717    H    LYS  94           H        LYS  94 -17.167  -3.491   4.820
  718    HA   LYS  94           HA       LYS  94 -18.764  -4.973   5.996
  719   1HB   LYS  94          1HB       LYS  94 -20.094  -5.495   3.714
  720   2HB   LYS  94          2HB       LYS  94 -20.052  -3.926   4.487
  721   1HG   LYS  94          1HG       LYS  94 -19.669  -3.506   2.218
  722   2HG   LYS  94          2HG       LYS  94 -18.086  -3.382   2.968
  723   1HD   LYS  94          1HD       LYS  94 -18.045  -4.541   0.814
  724   2HD   LYS  94          2HD       LYS  94 -17.486  -5.555   2.143
  725   1HE   LYS  94          1HE       LYS  94 -18.964  -6.719   0.528
  726   2HE   LYS  94          2HE       LYS  94 -19.550  -6.752   2.186
  727   1HZ   LYS  94          1HZ       LYS  94 -21.148  -5.057   1.663
  728   2HZ   LYS  94          2HZ       LYS  94 -21.290  -6.310   0.533
  729   3HZ   LYS  94          3HZ       LYS  94 -20.522  -4.871   0.105
  730    H    ASP  95           H        ASP  95 -17.674  -6.465   3.044
  731    HA   ASP  95           HA       ASP  95 -17.472  -9.054   4.215
  732   1HB   ASP  95          1HB       ASP  95 -19.900  -8.492   3.427
  733   2HB   ASP  95          2HB       ASP  95 -19.252  -8.789   1.829
  734    H    LYS  96           H        LYS  96 -16.328  -6.714   2.275
  735    HA   LYS  96           HA       LYS  96 -15.415  -8.444   0.141
  736   1HB   LYS  96          1HB       LYS  96 -16.067  -5.661   0.031
  737   2HB   LYS  96          2HB       LYS  96 -14.342  -5.789  -0.140
  738   1HG   LYS  96          1HG       LYS  96 -16.325  -7.339  -1.744
  739   2HG   LYS  96          2HG       LYS  96 -15.589  -5.817  -2.253
  740   1HD   LYS  96          1HD       LYS  96 -13.612  -6.786  -2.727
  741   2HD   LYS  96          2HD       LYS  96 -13.697  -7.872  -1.338
  742   1HE   LYS  96          1HE       LYS  96 -13.845  -9.304  -3.171
  743   2HE   LYS  96          2HE       LYS  96 -15.527  -9.083  -2.655
  744   1HZ   LYS  96          1HZ       LYS  96 -15.834  -7.469  -4.393
  745   2HZ   LYS  96          2HZ       LYS  96 -15.268  -8.922  -5.060
  746   3HZ   LYS  96          3HZ       LYS  96 -14.211  -7.607  -4.877
  747    H    PHE  97           H        PHE  97 -13.519  -9.216   0.178
  748    HA   PHE  97           HA       PHE  97 -11.474  -7.895   1.817
  749   1HB   PHE  97          1HB       PHE  97 -12.492  -9.991   2.803
  750   2HB   PHE  97          2HB       PHE  97 -11.657 -10.878   1.540
  751    HD1  PHE  97           HD1      PHE  97 -11.376  -9.424   4.786
  752    HD2  PHE  97           HD2      PHE  97  -9.131 -10.590   1.360
  753    HE1  PHE  97           HE1      PHE  97  -9.323  -9.435   6.140
  754    HE2  PHE  97           HE2      PHE  97  -7.075 -10.601   2.714
  755    HZ   PHE  97           HZ       PHE  97  -7.170 -10.055   5.112
  756    H    ASP  98           H        ASP  98  -9.681  -7.544   0.886
  757    HA   ASP  98           HA       ASP  98  -8.725  -9.165  -1.328
  758   1HB   ASP  98          1HB       ASP  98  -9.452  -6.260  -1.616
  759   2HB   ASP  98          2HB       ASP  98  -8.127  -6.936  -2.552
  760    H    CYS  99           H        CYS  99  -6.451  -8.885  -1.682
  761    HA   CYS  99           HA       CYS  99  -5.021  -7.175   0.152
  762   1HB   CYS  99          1HB       CYS  99  -3.690  -9.103   1.068
  763   2HB   CYS  99          2HB       CYS  99  -5.350  -9.005   1.630
  764    HG   CYS  99           HG       CYS  99  -5.934 -10.902  -0.685
  765    H    SER 100           H        SER 100  -2.910  -6.841  -0.364
  766    HA   SER 100           HA       SER 100  -2.008  -8.098  -2.875
  767   1HB   SER 100          1HB       SER 100  -0.819  -5.706  -3.103
  768   2HB   SER 100          2HB       SER 100  -2.408  -6.051  -3.771
  769    HG   SER 100           HG       SER 100  -1.765  -4.234  -1.959
  770    H    ASN 101           H        ASN 101   0.100  -8.469  -3.131
  771    HA   ASN 101           HA       ASN 101   1.895  -7.812  -0.915
  772   1HB   ASN 101          1HB       ASN 101   3.015 -10.089  -1.402
  773   2HB   ASN 101          2HB       ASN 101   1.536 -10.075  -0.457
  774   1HD2  ASN 101          1HD2      ASN 101   1.635  -9.704  -3.986
  775   2HD2  ASN 101          2HD2      ASN 101   0.887 -11.235  -4.323
  776    H    PHE 102           H        PHE 102   3.598  -6.669  -1.618
  777    HA   PHE 102           HA       PHE 102   4.592  -7.231  -4.290
  778   1HB   PHE 102          1HB       PHE 102   4.615  -4.725  -4.758
  779   2HB   PHE 102          2HB       PHE 102   3.093  -5.583  -4.934
  780    HD1  PHE 102           HD1      PHE 102   4.826  -2.916  -3.305
  781    HD2  PHE 102           HD2      PHE 102   1.399  -5.415  -3.117
  782    HE1  PHE 102           HE1      PHE 102   3.744  -1.310  -1.799
  783    HE2  PHE 102           HE2      PHE 102   0.306  -3.811  -1.612
  784    HZ   PHE 102           HZ       PHE 102   1.485  -1.760  -0.948
  785    H    ASN 103           H        ASN 103   6.713  -7.069  -4.401
  786    HA   ASN 103           HA       ASN 103   8.058  -6.374  -1.916
  787   1HB   ASN 103          1HB       ASN 103   9.081  -8.031  -4.206
  788   2HB   ASN 103          2HB       ASN 103   9.764  -7.887  -2.620
  789   1HD2  ASN 103          1HD2      ASN 103   8.815 -10.227  -4.151
  790   2HD2  ASN 103          2HD2      ASN 103   7.715 -11.024  -3.093
  791    H    LEU 104           H        LEU 104   9.523  -4.985  -1.850
  792    HA   LEU 104           HA       LEU 104  10.371  -3.604  -4.325
  793   1HB   LEU 104          1HB       LEU 104   9.746  -1.768  -3.151
  794   2HB   LEU 104          2HB       LEU 104   9.871  -2.561  -1.585
  795    HG   LEU 104           HG       LEU 104  12.437  -2.287  -2.487
  796   1HD1  LEU 104          1HD1      LEU 104  10.891   0.176  -3.169
  797   2HD1  LEU 104          2HD1      LEU 104  11.704  -0.896  -4.306
  798   3HD1  LEU 104          3HD1      LEU 104  12.653   0.046  -3.155
  799   1HD2  LEU 104          1HD2      LEU 104  11.363  -1.846  -0.190
  800   2HD2  LEU 104          2HD2      LEU 104  11.211  -0.186  -0.775
  801   3HD2  LEU 104          3HD2      LEU 104  12.805  -0.940  -0.652
  802    H    THR 105           H        THR 105  12.224  -4.462  -5.016
  803    HA   THR 105           HA       THR 105  14.068  -5.549  -3.049
  804    HB   THR 105           HB       THR 105  14.481  -5.477  -6.025
  805    HG1  THR 105           HG1      THR 105  12.582  -6.611  -5.794
  806   1HG2  THR 105          1HG2      THR 105  16.429  -6.020  -4.638
  807   2HG2  THR 105          2HG2      THR 105  15.911  -7.408  -5.596
  808   3HG2  THR 105          3HG2      THR 105  15.518  -7.324  -3.879
  809    H    VAL 106           H        VAL 106  14.895  -3.794  -2.069
  810    HA   VAL 106           HA       VAL 106  15.913  -1.574  -3.503
  811    HB   VAL 106           HB       VAL 106  15.109  -1.097  -1.271
  812   1HG1  VAL 106          1HG1      VAL 106  15.212  -3.035  -0.085
  813   2HG1  VAL 106          2HG1      VAL 106  16.427  -2.014   0.691
  814   3HG1  VAL 106          3HG1      VAL 106  16.926  -3.279  -0.436
  815   1HG2  VAL 106          1HG2      VAL 106  18.093  -0.893  -1.439
  816   2HG2  VAL 106          2HG2      VAL 106  17.071   0.010  -0.318
  817   3HG2  VAL 106          3HG2      VAL 106  16.918   0.277  -2.060
  818    H    HIS 107           H        HIS 107  17.578  -1.690  -4.527
  819    HA   HIS 107           HA       HIS 107  19.461  -3.844  -4.309
  820   1HB   HIS 107          1HB       HIS 107  19.279  -1.529  -6.250
  821   2HB   HIS 107          2HB       HIS 107  20.534  -2.756  -6.309
  822    HD1  HIS 107           HD1      HIS 107  18.928  -2.475  -8.779
  823    HD2  HIS 107           HD2      HIS 107  17.729  -4.956  -5.653
  824    HE1  HIS 107           HE1      HIS 107  17.385  -4.176  -9.810
  825    HE2  HIS 107           HE2      HIS 107  16.725  -5.716  -7.927
  826    H    GLU 108           H        GLU 108  20.455  -3.432  -2.432
  827    HA   GLU 108           HA       GLU 108  22.035  -1.148  -1.925
  828   1HB   GLU 108          1HB       GLU 108  21.505  -2.990  -0.274
  829   2HB   GLU 108          2HB       GLU 108  22.648  -4.012  -1.133
  830   1HG   GLU 108          1HG       GLU 108  24.433  -2.390  -0.623
  831   2HG   GLU 108          2HG       GLU 108  23.268  -1.452   0.315
  832    H    ALA 109           H        ALA 109  22.472  -4.127  -3.682
  833    HA   ALA 109           HA       ALA 109  23.816  -4.765  -5.371
  834   1HB   ALA 109          1HB       ALA 109  23.803  -1.817  -5.968
  835   2HB   ALA 109          2HB       ALA 109  22.558  -2.972  -6.442
  836   3HB   ALA 109          3HB       ALA 109  24.189  -3.110  -7.101
  837    H    MET 110           H        MET 110  25.388  -5.218  -3.572
  838    HA   MET 110           HA       MET 110  27.839  -3.648  -3.956
  839   1HB   MET 110          1HB       MET 110  26.881  -4.066  -1.609
  840   2HB   MET 110          2HB       MET 110  27.375  -5.736  -1.829
  841   1HG   MET 110          1HG       MET 110  29.304  -3.461  -2.106
  842   2HG   MET 110          2HG       MET 110  28.936  -4.191  -0.549
  843   1HE   MET 110          1HE       MET 110  28.590  -7.279  -1.320
  844   2HE   MET 110          2HE       MET 110  29.446  -6.652   0.088
  845   3HE   MET 110          3HE       MET 110  30.229  -7.828  -0.966
  Start of MODEL   11
    1    H    ASP   1           H        ASP   1 -20.374 -11.209   0.528
    2    HA   ASP   1           HA       ASP   1 -18.367  -9.889   0.024
    3   1HB   ASP   1          1HB       ASP   1 -16.673 -10.777  -1.372
    4   2HB   ASP   1          2HB       ASP   1 -16.959 -12.030  -0.175
    5    H    ASP   2           H        ASP   2 -19.145  -8.408  -1.310
    6    HA   ASP   2           HA       ASP   2 -21.203  -9.165  -3.235
    7   1HB   ASP   2          1HB       ASP   2 -20.602  -6.780  -1.529
    8   2HB   ASP   2          2HB       ASP   2 -21.800  -6.734  -2.802
    9    HA   PRO   3           HA       PRO   3 -18.989  -7.054  -6.526
   10   1HB   PRO   3          1HB       PRO   3 -20.907  -5.559  -7.732
   11   2HB   PRO   3          2HB       PRO   3 -20.790  -7.312  -7.923
   12   1HG   PRO   3          1HG       PRO   3 -22.585  -5.714  -6.144
   13   2HG   PRO   3          2HG       PRO   3 -22.958  -7.151  -7.110
   14   1HD   PRO   3          1HD       PRO   3 -22.502  -7.255  -4.438
   15   2HD   PRO   3          2HD       PRO   3 -22.096  -8.587  -5.538
   16    H    ILE   4           H        ILE   4 -18.128  -5.917  -4.484
   17    HA   ILE   4           HA       ILE   4 -18.576  -3.042  -4.522
   18    HB   ILE   4           HB       ILE   4 -16.856  -4.904  -2.923
   19   1HG1  ILE   4          1HG1      ILE   4 -17.862  -3.513  -1.045
   20   2HG1  ILE   4          2HG1      ILE   4 -18.865  -2.747  -2.270
   21   1HG2  ILE   4          1HG2      ILE   4 -15.735  -2.963  -1.842
   22   2HG2  ILE   4          2HG2      ILE   4 -16.422  -1.909  -3.073
   23   3HG2  ILE   4          3HG2      ILE   4 -15.274  -3.167  -3.530
   24   1HD1  ILE   4          1HD1      ILE   4 -18.801  -5.666  -1.591
   25   2HD1  ILE   4          2HD1      ILE   4 -19.796  -4.923  -2.848
   26   3HD1  ILE   4          3HD1      ILE   4 -20.060  -4.511  -1.152
   27    H    GLY   5           H        GLY   5 -15.754  -5.138  -4.852
   28   1HA   GLY   5          1HA       GLY   5 -14.183  -5.129  -6.636
   29   2HA   GLY   5          2HA       GLY   5 -14.876  -3.605  -7.184
   30    H    LEU   6           H        LEU   6 -13.867  -4.709  -4.079
   31    HA   LEU   6           HA       LEU   6 -13.089  -2.287  -3.051
   32   1HB   LEU   6          1HB       LEU   6 -13.517  -4.680  -2.060
   33   2HB   LEU   6          2HB       LEU   6 -11.778  -4.827  -2.205
   34    HG   LEU   6           HG       LEU   6 -11.473  -2.939  -0.730
   35   1HD1  LEU   6          1HD1      LEU   6 -13.506  -1.701  -1.413
   36   2HD1  LEU   6          2HD1      LEU   6 -13.289  -1.799   0.333
   37   3HD1  LEU   6          3HD1      LEU   6 -14.456  -2.845  -0.469
   38   1HD2  LEU   6          1HD2      LEU   6 -11.693  -5.183   0.188
   39   2HD2  LEU   6          2HD2      LEU   6 -13.431  -4.923   0.365
   40   3HD2  LEU   6          3HD2      LEU   6 -12.288  -3.954   1.299
   41    H    PHE   7           H        PHE   7 -11.235  -4.752  -4.698
   42    HA   PHE   7           HA       PHE   7  -8.849  -3.132  -4.538
   43   1HB   PHE   7          1HB       PHE   7  -9.404  -5.915  -4.804
   44   2HB   PHE   7          2HB       PHE   7  -8.443  -5.394  -6.193
   45    HD1  PHE   7           HD1      PHE   7  -8.133  -3.644  -3.012
   46    HD2  PHE   7           HD2      PHE   7  -6.563  -6.750  -5.459
   47    HE1  PHE   7           HE1      PHE   7  -6.104  -3.701  -1.627
   48    HE2  PHE   7           HE2      PHE   7  -4.533  -6.810  -4.081
   49    HZ   PHE   7           HZ       PHE   7  -4.297  -5.288  -2.164
   50    H    VAL   8           H        VAL   8  -9.673  -1.419  -5.718
   51    HA   VAL   8           HA       VAL   8 -10.436  -1.642  -8.453
   52    HB   VAL   8           HB       VAL   8  -9.271   0.794  -7.085
   53   1HG1  VAL   8          1HG1      VAL   8  -9.463   0.979  -9.507
   54   2HG1  VAL   8          2HG1      VAL   8 -10.626   2.036  -8.706
   55   3HG1  VAL   8          3HG1      VAL   8 -11.163   0.515  -9.418
   56   1HG2  VAL   8          1HG2      VAL   8 -11.571   1.416  -6.503
   57   2HG2  VAL   8          2HG2      VAL   8 -11.084  -0.086  -5.711
   58   3HG2  VAL   8          3HG2      VAL   8 -12.142  -0.132  -7.124
   59    H    MET   9           H        MET   9  -7.472  -0.839  -6.734
   60    HA   MET   9           HA       MET   9  -5.900  -1.941  -8.897
   61   1HB   MET   9          1HB       MET   9  -6.081   0.453  -9.498
   62   2HB   MET   9          2HB       MET   9  -5.417   0.868  -7.931
   63   1HG   MET   9          1HG       MET   9  -3.357  -0.379  -8.530
   64   2HG   MET   9          2HG       MET   9  -4.020  -0.592 -10.146
   65   1HE   MET   9          1HE       MET   9  -1.162   2.102 -10.565
   66   2HE   MET   9          2HE       MET   9  -1.754   0.533 -11.112
   67   3HE   MET   9          3HE       MET   9  -1.190   0.734  -9.454
   68    H    ARG  10           H        ARG  10  -4.153  -2.928  -8.137
   69    HA   ARG  10           HA       ARG  10  -3.428  -2.488  -5.333
   70   1HB   ARG  10          1HB       ARG  10  -2.437  -4.837  -5.516
   71   2HB   ARG  10          2HB       ARG  10  -4.182  -4.712  -5.412
   72   1HG   ARG  10          1HG       ARG  10  -2.881  -4.896  -8.098
   73   2HG   ARG  10          2HG       ARG  10  -3.066  -6.348  -7.109
   74   1HD   ARG  10          1HD       ARG  10  -5.463  -5.969  -6.965
   75   2HD   ARG  10          2HD       ARG  10  -5.301  -4.474  -7.886
   76    HE   ARG  10           HE       ARG  10  -4.385  -6.907  -9.193
   77   1HH1  ARG  10          1HH1      ARG  10  -6.960  -4.583  -8.763
   78   2HH1  ARG  10          2HH1      ARG  10  -7.757  -4.987 -10.251
   79   1HH2  ARG  10          1HH2      ARG  10  -5.407  -7.437 -11.163
   80   2HH2  ARG  10          2HH2      ARG  10  -6.843  -6.575 -11.641
   81    HA   PRO  11           HA       PRO  11   0.383  -1.148  -7.074
   82   1HB   PRO  11          1HB       PRO  11   1.900  -1.273  -4.775
   83   2HB   PRO  11          2HB       PRO  11   0.868   0.075  -5.223
   84   1HG   PRO  11          1HG       PRO  11   0.483  -1.967  -3.194
   85   2HG   PRO  11          2HG       PRO  11  -0.253  -0.367  -3.328
   86   1HD   PRO  11          1HD       PRO  11  -1.478  -2.843  -3.906
   87   2HD   PRO  11          2HD       PRO  11  -2.113  -1.233  -4.286
   88    H    GLN  12           H        GLN  12   2.568  -1.920  -7.388
   89    HA   GLN  12           HA       GLN  12   2.697  -4.841  -7.205
   90   1HB   GLN  12          1HB       GLN  12   3.592  -3.029  -9.451
   91   2HB   GLN  12          2HB       GLN  12   3.697  -4.783  -9.427
   92   1HG   GLN  12          1HG       GLN  12   1.093  -3.345  -9.113
   93   2HG   GLN  12          2HG       GLN  12   1.754  -3.735 -10.702
   94   1HE2  GLN  12          1HE2      GLN  12   0.550  -5.099  -7.683
   95   2HE2  GLN  12          2HE2      GLN  12   0.164  -6.654  -8.338
   96    H    ASP  13           H        ASP  13   5.171  -5.367  -7.974
   97    HA   ASP  13           HA       ASP  13   6.707  -4.633  -5.809
   98   1HB   ASP  13          1HB       ASP  13   8.383  -5.978  -7.125
   99   2HB   ASP  13          2HB       ASP  13   6.895  -6.810  -6.756
  100    H    GLY  14           H        GLY  14   9.068  -4.735  -7.363
  101   1HA   GLY  14          1HA       GLY  14   9.817  -2.814  -9.011
  102   2HA   GLY  14          2HA       GLY  14   9.471  -1.869  -7.576
  103    H    GLU  15           H        GLU  15  11.836  -2.784  -9.176
  104    HA   GLU  15           HA       GLU  15  13.533  -3.517  -6.891
  105   1HB   GLU  15          1HB       GLU  15  14.107  -3.877  -9.848
  106   2HB   GLU  15          2HB       GLU  15  15.222  -4.263  -8.550
  107   1HG   GLU  15          1HG       GLU  15  13.421  -5.871  -7.722
  108   2HG   GLU  15          2HG       GLU  15  12.671  -5.637  -9.297
  109    H    VAL  16           H        VAL  16  14.639  -1.777  -6.108
  110    HA   VAL  16           HA       VAL  16  15.227   0.360  -7.929
  111    HB   VAL  16           HB       VAL  16  14.363   1.976  -6.520
  112   1HG1  VAL  16          1HG1      VAL  16  12.372  -0.252  -6.370
  113   2HG1  VAL  16          2HG1      VAL  16  12.618   0.826  -7.744
  114   3HG1  VAL  16          3HG1      VAL  16  12.019   1.469  -6.215
  115   1HG2  VAL  16          1HG2      VAL  16  14.040  -0.097  -4.375
  116   2HG2  VAL  16          2HG2      VAL  16  13.502   1.578  -4.244
  117   3HG2  VAL  16          3HG2      VAL  16  15.221   1.215  -4.405
  118    H    THR  17           H        THR  17  16.708   1.773  -6.909
  119    HA   THR  17           HA       THR  17  18.852   0.307  -5.629
  120    HB   THR  17           HB       THR  17  19.325   3.115  -6.221
  121    HG1  THR  17           HG1      THR  17  19.276   2.617  -8.590
  122   1HG2  THR  17          1HG2      THR  17  20.587   0.590  -7.283
  123   2HG2  THR  17          2HG2      THR  17  21.113   1.482  -5.855
  124   3HG2  THR  17          3HG2      THR  17  21.243   2.219  -7.452
  125    H    VAL  18           H        VAL  18  19.820   1.112  -3.670
  126    HA   VAL  18           HA       VAL  18  18.133   2.487  -1.863
  127    HB   VAL  18           HB       VAL  18  21.082   2.287  -1.562
  128   1HG1  VAL  18          1HG1      VAL  18  20.002   3.840  -0.070
  129   2HG1  VAL  18          2HG1      VAL  18  20.593   2.443   0.831
  130   3HG1  VAL  18          3HG1      VAL  18  18.878   2.579   0.444
  131   1HG2  VAL  18          1HG2      VAL  18  19.080   0.299  -0.552
  132   2HG2  VAL  18          2HG2      VAL  18  20.828   0.237  -0.328
  133   3HG2  VAL  18          3HG2      VAL  18  20.136   0.033  -1.939
  134    H    GLY  19           H        GLY  19  17.656   4.270  -2.365
  135   1HA   GLY  19          1HA       GLY  19  18.325   6.605  -1.834
  136   2HA   GLY  19          2HA       GLY  19  19.681   6.326  -2.916
  137    H    GLY  20           H        GLY  20  16.856   4.822  -4.156
  138   1HA   GLY  20          1HA       GLY  20  16.396   7.187  -5.821
  139   2HA   GLY  20          2HA       GLY  20  15.913   5.557  -6.184
  140    H    SER  21           H        SER  21  13.999   5.361  -6.156
  141    HA   SER  21           HA       SER  21  12.455   5.919  -3.868
  142   1HB   SER  21          1HB       SER  21  10.680   6.892  -5.319
  143   2HB   SER  21          2HB       SER  21  12.063   7.909  -5.040
  144    HG   SER  21           HG       SER  21  12.324   7.980  -7.117
  145    H    ILE  22           H        ILE  22  10.352   5.034  -4.156
  146    HA   ILE  22           HA       ILE  22   9.808   3.212  -6.253
  147    HB   ILE  22           HB       ILE  22  10.800   1.784  -4.560
  148   1HG1  ILE  22          1HG1      ILE  22   8.910   0.203  -4.314
  149   2HG1  ILE  22          2HG1      ILE  22   7.844   1.456  -4.920
  150   1HG2  ILE  22          1HG2      ILE  22  10.297   3.033  -2.549
  151   2HG2  ILE  22          2HG2      ILE  22   9.714   1.375  -2.419
  152   3HG2  ILE  22          3HG2      ILE  22   8.582   2.682  -2.762
  153   1HD1  ILE  22          1HD1      ILE  22  10.128   0.188  -6.417
  154   2HD1  ILE  22          2HD1      ILE  22   9.098   1.484  -7.024
  155   3HD1  ILE  22          3HD1      ILE  22   8.409  -0.104  -6.684
  156    H    THR  23           H        THR  23   7.652   2.835  -6.299
  157    HA   THR  23           HA       THR  23   5.993   4.730  -4.852
  158    HB   THR  23           HB       THR  23   5.765   4.656  -7.834
  159    HG1  THR  23           HG1      THR  23   7.703   5.850  -6.327
  160   1HG2  THR  23          1HG2      THR  23   3.829   5.483  -6.637
  161   2HG2  THR  23          2HG2      THR  23   4.642   6.838  -7.421
  162   3HG2  THR  23          3HG2      THR  23   4.837   6.573  -5.685
  163    H    PHE  24           H        PHE  24   4.274   3.882  -4.247
  164    HA   PHE  24           HA       PHE  24   3.074   1.646  -5.723
  165   1HB   PHE  24          1HB       PHE  24   3.033   2.214  -2.757
  166   2HB   PHE  24          2HB       PHE  24   2.202   0.903  -3.549
  167    HD1  PHE  24           HD1      PHE  24   4.038  -0.365  -5.269
  168    HD2  PHE  24           HD2      PHE  24   4.816   1.511  -1.539
  169    HE1  PHE  24           HE1      PHE  24   6.044  -1.766  -4.983
  170    HE2  PHE  24           HE2      PHE  24   6.821   0.123  -1.247
  171    HZ   PHE  24           HZ       PHE  24   7.439  -1.520  -2.972
  172    H    SER  25           H        SER  25   1.004   1.826  -6.159
  173    HA   SER  25           HA       SER  25  -0.594   3.939  -4.966
  174   1HB   SER  25          1HB       SER  25  -1.234   3.110  -7.722
  175   2HB   SER  25          2HB       SER  25  -1.395   4.680  -6.964
  176    HG   SER  25           HG       SER  25   1.189   4.068  -7.092
  177    H    ALA  26           H        ALA  26  -2.170   3.129  -3.982
  178    HA   ALA  26           HA       ALA  26  -3.288   0.516  -4.744
  179   1HB   ALA  26          1HB       ALA  26  -1.842   0.811  -2.537
  180   2HB   ALA  26          2HB       ALA  26  -3.252  -0.230  -2.572
  181   3HB   ALA  26          3HB       ALA  26  -3.377   1.391  -1.899
  182    H    ARG  27           H        ARG  27  -5.344   0.681  -5.365
  183    HA   ARG  27           HA       ARG  27  -6.865   3.042  -4.455
  184   1HB   ARG  27          1HB       ARG  27  -7.240   1.478  -7.017
  185   2HB   ARG  27          2HB       ARG  27  -8.072   2.959  -6.562
  186   1HG   ARG  27          1HG       ARG  27  -6.006   4.200  -6.682
  187   2HG   ARG  27          2HG       ARG  27  -5.108   2.719  -7.032
  188   1HD   ARG  27          1HD       ARG  27  -5.403   3.632  -9.133
  189   2HD   ARG  27          2HD       ARG  27  -6.738   2.488  -9.017
  190    HE   ARG  27           HE       ARG  27  -7.553   5.042  -8.123
  191   1HH1  ARG  27          1HH1      ARG  27  -6.813   3.263 -11.034
  192   2HH1  ARG  27          2HH1      ARG  27  -7.779   4.280 -12.064
  193   1HH2  ARG  27          1HH2      ARG  27  -8.826   6.396  -9.461
  194   2HH2  ARG  27          2HH2      ARG  27  -8.925   6.061 -11.165
  195    H    VAL  28           H        VAL  28  -8.598   2.627  -3.228
  196    HA   VAL  28           HA       VAL  28  -9.764  -0.034  -3.379
  197    HB   VAL  28           HB       VAL  28  -9.697   1.638  -0.883
  198   1HG1  VAL  28          1HG1      VAL  28 -10.236  -1.304  -1.236
  199   2HG1  VAL  28          2HG1      VAL  28 -11.502  -0.079  -1.181
  200   3HG1  VAL  28          3HG1      VAL  28 -10.456  -0.336   0.221
  201   1HG2  VAL  28          1HG2      VAL  28  -7.964  -0.002  -0.110
  202   2HG2  VAL  28          2HG2      VAL  28  -7.430   1.140  -1.343
  203   3HG2  VAL  28          3HG2      VAL  28  -7.814  -0.523  -1.788
  204    H    ALA  29           H        ALA  29 -11.702  -0.072  -3.828
  205    HA   ALA  29           HA       ALA  29 -13.395   2.067  -4.363
  206   1HB   ALA  29          1HB       ALA  29 -13.705  -0.095  -5.412
  207   2HB   ALA  29          2HB       ALA  29 -15.166   0.360  -4.532
  208   3HB   ALA  29          3HB       ALA  29 -14.054  -0.827  -3.846
  209    H    GLY  30           H        GLY  30 -13.921   3.426  -2.830
  210   1HA   GLY  30          1HA       GLY  30 -14.387   3.099  -0.144
  211   2HA   GLY  30          2HA       GLY  30 -15.270   4.251  -1.139
  212    H    ALA  31           H        ALA  31 -16.669   2.590  -2.782
  213    HA   ALA  31           HA       ALA  31 -18.515   1.305  -3.022
  214   1HB   ALA  31          1HB       ALA  31 -17.498  -0.258  -0.663
  215   2HB   ALA  31          2HB       ALA  31 -16.798  -0.372  -2.278
  216   3HB   ALA  31          3HB       ALA  31 -18.478  -0.839  -2.017
  217    H    SER  32           H        SER  32 -20.191  -0.026  -1.416
  218    HA   SER  32           HA       SER  32 -21.126   1.906   0.587
  219   1HB   SER  32          1HB       SER  32 -23.353   0.711   0.282
  220   2HB   SER  32          2HB       SER  32 -22.806   1.658  -1.104
  221    HG   SER  32           HG       SER  32 -22.587  -1.156  -0.763
  222    H    LEU  33           H        LEU  33 -20.600   1.271   2.571
  223    HA   LEU  33           HA       LEU  33 -20.785  -1.521   3.311
  224   1HB   LEU  33          1HB       LEU  33 -18.620  -1.913   2.875
  225   2HB   LEU  33          2HB       LEU  33 -18.320  -0.237   2.547
  226    HG   LEU  33           HG       LEU  33 -18.119   0.090   4.984
  227   1HD1  LEU  33          1HD1      LEU  33 -19.036  -2.027   5.755
  228   2HD1  LEU  33          2HD1      LEU  33 -17.348  -1.883   6.248
  229   3HD1  LEU  33          3HD1      LEU  33 -17.781  -2.897   4.873
  230   1HD2  LEU  33          1HD2      LEU  33 -16.224   0.396   3.808
  231   2HD2  LEU  33          2HD2      LEU  33 -16.217  -1.251   3.200
  232   3HD2  LEU  33          3HD2      LEU  33 -15.760  -0.934   4.873
  233    H    LEU  34           H        LEU  34 -20.545  -1.850   5.627
  234    HA   LEU  34           HA       LEU  34 -22.047  -0.332   7.256
  235   1HB   LEU  34          1HB       LEU  34 -19.651  -1.765   8.299
  236   2HB   LEU  34          2HB       LEU  34 -21.210  -1.535   9.085
  237    HG   LEU  34           HG       LEU  34 -21.052  -2.922   6.512
  238   1HD1  LEU  34          1HD1      LEU  34 -20.510  -4.184   9.199
  239   2HD1  LEU  34          2HD1      LEU  34 -19.384  -4.074   7.844
  240   3HD1  LEU  34          3HD1      LEU  34 -20.820  -5.087   7.717
  241   1HD2  LEU  34          1HD2      LEU  34 -23.239  -2.375   7.342
  242   2HD2  LEU  34          2HD2      LEU  34 -22.879  -3.149   8.884
  243   3HD2  LEU  34          3HD2      LEU  34 -23.013  -4.123   7.419
  244    H    LYS  35           H        LYS  35 -18.763  -0.087   6.570
  245    HA   LYS  35           HA       LYS  35 -18.251   2.230   8.278
  246   1HB   LYS  35          1HB       LYS  35 -15.876   0.810   8.147
  247   2HB   LYS  35          2HB       LYS  35 -16.974   0.835   9.518
  248   1HG   LYS  35          1HG       LYS  35 -17.325  -1.341   9.304
  249   2HG   LYS  35          2HG       LYS  35 -17.926  -1.124   7.652
  250   1HD   LYS  35          1HD       LYS  35 -16.088  -2.675   7.617
  251   2HD   LYS  35          2HD       LYS  35 -15.541  -1.170   6.869
  252   1HE   LYS  35          1HE       LYS  35 -13.798  -1.926   8.306
  253   2HE   LYS  35          2HE       LYS  35 -14.561  -0.546   9.096
  254   1HZ   LYS  35          1HZ       LYS  35 -15.792  -2.057  10.509
  255   2HZ   LYS  35          2HZ       LYS  35 -14.130  -2.375  10.637
  256   3HZ   LYS  35          3HZ       LYS  35 -15.120  -3.399   9.716
  257    HA   PRO  36           HA       PRO  36 -15.821   3.278   4.530
  258   1HB   PRO  36          1HB       PRO  36 -13.463   4.083   5.978
  259   2HB   PRO  36          2HB       PRO  36 -14.657   5.132   5.205
  260   1HG   PRO  36          1HG       PRO  36 -14.268   4.974   7.919
  261   2HG   PRO  36          2HG       PRO  36 -15.792   5.471   7.159
  262   1HD   PRO  36          1HD       PRO  36 -15.015   2.782   8.253
  263   2HD   PRO  36          2HD       PRO  36 -16.556   3.662   8.419
  264    HA   PRO  37           HA       PRO  37 -13.586  -0.539   4.211
  265   1HB   PRO  37          1HB       PRO  37 -11.739   0.626   2.316
  266   2HB   PRO  37          2HB       PRO  37 -12.898  -0.681   2.082
  267   1HG   PRO  37          1HG       PRO  37 -13.229   1.822   0.992
  268   2HG   PRO  37          2HG       PRO  37 -14.560   0.702   1.345
  269   1HD   PRO  37          1HD       PRO  37 -13.745   3.159   2.761
  270   2HD   PRO  37          2HD       PRO  37 -15.323   2.348   2.697
  271    H    VAL  38           H        VAL  38 -12.022  -1.276   5.401
  272    HA   VAL  38           HA       VAL  38 -10.093   0.641   6.423
  273    HB   VAL  38           HB       VAL  38 -10.887  -2.031   7.538
  274   1HG1  VAL  38          1HG1      VAL  38  -8.898  -0.029   8.583
  275   2HG1  VAL  38          2HG1      VAL  38  -8.548  -1.651   7.986
  276   3HG1  VAL  38          3HG1      VAL  38  -9.471  -1.440   9.472
  277   1HG2  VAL  38          1HG2      VAL  38 -12.574  -0.311   7.883
  278   2HG2  VAL  38          2HG2      VAL  38 -11.352   0.741   8.601
  279   3HG2  VAL  38          3HG2      VAL  38 -11.804  -0.762   9.403
  280    H    VAL  39           H        VAL  39  -8.634   0.627   5.092
  281    HA   VAL  39           HA       VAL  39  -7.339  -1.808   4.231
  282    HB   VAL  39           HB       VAL  39  -6.441   0.883   3.351
  283   1HG1  VAL  39          1HG1      VAL  39  -6.566  -1.793   2.007
  284   2HG1  VAL  39          2HG1      VAL  39  -5.142  -1.010   2.704
  285   3HG1  VAL  39          3HG1      VAL  39  -5.925  -0.323   1.275
  286   1HG2  VAL  39          1HG2      VAL  39  -8.046   1.086   1.610
  287   2HG2  VAL  39          2HG2      VAL  39  -8.931   0.876   3.120
  288   3HG2  VAL  39          3HG2      VAL  39  -8.758  -0.480   2.005
  289    H    LYS  40           H        LYS  40  -5.841  -2.323   5.542
  290    HA   LYS  40           HA       LYS  40  -4.138  -0.351   6.747
  291   1HB   LYS  40          1HB       LYS  40  -3.370  -2.182   8.214
  292   2HB   LYS  40          2HB       LYS  40  -5.049  -1.770   8.421
  293   1HG   LYS  40          1HG       LYS  40  -5.197  -4.036   8.435
  294   2HG   LYS  40          2HG       LYS  40  -5.369  -3.735   6.707
  295   1HD   LYS  40          1HD       LYS  40  -3.796  -5.551   7.062
  296   2HD   LYS  40          2HD       LYS  40  -2.939  -4.149   6.412
  297   1HE   LYS  40          1HE       LYS  40  -2.063  -3.604   8.567
  298   2HE   LYS  40          2HE       LYS  40  -3.078  -4.812   9.353
  299   1HZ   LYS  40          1HZ       LYS  40  -1.094  -5.571   7.295
  300   2HZ   LYS  40          2HZ       LYS  40  -1.826  -6.551   8.464
  301   3HZ   LYS  40          3HZ       LYS  40  -0.659  -5.409   8.926
  302    H    TRP  41           H        TRP  41  -2.333  -0.119   6.146
  303    HA   TRP  41           HA       TRP  41  -1.105  -1.742   4.125
  304   1HB   TRP  41          1HB       TRP  41  -0.356   0.806   5.520
  305   2HB   TRP  41          2HB       TRP  41   0.707   0.006   4.357
  306    HD1  TRP  41           HD1      TRP  41  -2.607   1.892   4.572
  307    HE1  TRP  41           HE1      TRP  41  -3.231   2.614   2.147
  308    HE3  TRP  41           HE3      TRP  41   0.885  -0.759   1.988
  309    HZ2  TRP  41           HZ2      TRP  41  -2.415   2.026  -0.463
  310    HZ3  TRP  41           HZ3      TRP  41   0.890  -0.658  -0.464
  311    HH2  TRP  41           HH2      TRP  41  -0.745   0.690  -1.664
  312    H    PHE  42           H        PHE  42   0.795  -2.705   4.212
  313    HA   PHE  42           HA       PHE  42   2.187  -2.956   6.773
  314   1HB   PHE  42          1HB       PHE  42   0.880  -5.078   6.138
  315   2HB   PHE  42          2HB       PHE  42   1.968  -5.204   4.761
  316    HD1  PHE  42           HD1      PHE  42   4.227  -5.910   5.018
  317    HD2  PHE  42           HD2      PHE  42   1.722  -5.402   8.419
  318    HE1  PHE  42           HE1      PHE  42   5.872  -7.108   6.404
  319    HE2  PHE  42           HE2      PHE  42   3.356  -6.613   9.817
  320    HZ   PHE  42           HZ       PHE  42   5.416  -7.465   8.825
  321    H    LYS  43           H        LYS  43   4.379  -2.788   6.505
  322    HA   LYS  43           HA       LYS  43   5.129  -1.729   3.866
  323   1HB   LYS  43          1HB       LYS  43   5.261  -0.084   5.679
  324   2HB   LYS  43          2HB       LYS  43   6.198  -1.189   6.670
  325   1HG   LYS  43          1HG       LYS  43   8.018  -1.009   4.954
  326   2HG   LYS  43          2HG       LYS  43   7.072   0.276   4.193
  327   1HD   LYS  43          1HD       LYS  43   7.079   1.500   6.347
  328   2HD   LYS  43          2HD       LYS  43   8.148   0.256   7.010
  329   1HE   LYS  43          1HE       LYS  43   9.749   0.763   5.178
  330   2HE   LYS  43          2HE       LYS  43   8.707   2.101   4.706
  331   1HZ   LYS  43          1HZ       LYS  43   9.055   3.085   6.897
  332   2HZ   LYS  43          2HZ       LYS  43  10.531   2.854   6.104
  333   3HZ   LYS  43          3HZ       LYS  43  10.058   1.796   7.338
  334    H    GLY  44           H        GLY  44   7.440  -2.167   3.359
  335   1HA   GLY  44          1HA       GLY  44   8.458  -4.235   2.549
  336   2HA   GLY  44          2HA       GLY  44   9.506  -3.350   3.614
  337    H    LYS  45           H        LYS  45  10.639  -5.410   3.752
  338    HA   LYS  45           HA       LYS  45   9.603  -7.891   4.141
  339   1HB   LYS  45          1HB       LYS  45  12.152  -6.601   4.456
  340   2HB   LYS  45          2HB       LYS  45  11.970  -7.881   5.644
  341   1HG   LYS  45          1HG       LYS  45  11.457  -9.467   3.856
  342   2HG   LYS  45          2HG       LYS  45  11.603  -8.165   2.670
  343   1HD   LYS  45          1HD       LYS  45  13.631  -9.525   2.760
  344   2HD   LYS  45          2HD       LYS  45  13.940  -7.864   3.263
  345   1HE   LYS  45          1HE       LYS  45  13.895  -8.533   5.594
  346   2HE   LYS  45          2HE       LYS  45  13.503 -10.188   5.132
  347   1HZ   LYS  45          1HZ       LYS  45  15.955  -8.869   4.146
  348   2HZ   LYS  45          2HZ       LYS  45  15.613 -10.526   4.248
  349   3HZ   LYS  45          3HZ       LYS  45  15.922  -9.637   5.655
  350    H    TRP  46           H        TRP  46   9.051  -5.576   6.545
  351    HA   TRP  46           HA       TRP  46   8.146  -7.555   8.395
  352   1HB   TRP  46          1HB       TRP  46   9.615  -6.553  10.214
  353   2HB   TRP  46          2HB       TRP  46  10.335  -7.725   9.129
  354    HD1  TRP  46           HD1      TRP  46  11.949  -6.660   7.159
  355    HE1  TRP  46           HE1      TRP  46  13.394  -4.549   7.185
  356    HE3  TRP  46           HE3      TRP  46   9.842  -4.319  11.179
  357    HZ2  TRP  46           HZ2      TRP  46  13.626  -2.183   8.739
  358    HZ3  TRP  46           HZ3      TRP  46  10.733  -2.140  11.874
  359    HH2  TRP  46           HH2      TRP  46  12.579  -1.093  10.677
  360    H    VAL  47           H        VAL  47   7.948  -4.411   7.290
  361    HA   VAL  47           HA       VAL  47   7.691  -3.139   9.794
  362    HB   VAL  47           HB       VAL  47   7.483  -1.379   7.539
  363   1HG1  VAL  47          1HG1      VAL  47   8.128  -0.687   9.742
  364   2HG1  VAL  47          2HG1      VAL  47   9.444  -0.355   8.613
  365   3HG1  VAL  47          3HG1      VAL  47   9.530  -1.750   9.690
  366   1HG2  VAL  47          1HG2      VAL  47   9.855  -3.247   7.508
  367   2HG2  VAL  47          2HG2      VAL  47   9.843  -1.669   6.726
  368   3HG2  VAL  47          3HG2      VAL  47   8.720  -2.915   6.192
  369    H    ASP  48           H        ASP  48   6.265  -1.470   9.895
  370    HA   ASP  48           HA       ASP  48   3.647  -1.786   8.664
  371   1HB   ASP  48          1HB       ASP  48   3.744  -2.074  11.174
  372   2HB   ASP  48          2HB       ASP  48   4.334  -0.421  11.290
  373    H    LEU  49           H        LEU  49   2.721   0.255   8.011
  374    HA   LEU  49           HA       LEU  49   4.712   2.279   7.435
  375   1HB   LEU  49          1HB       LEU  49   1.898   1.920   6.463
  376   2HB   LEU  49          2HB       LEU  49   2.844   3.360   6.146
  377    HG   LEU  49           HG       LEU  49   4.552   1.632   5.134
  378   1HD1  LEU  49          1HD1      LEU  49   1.914   0.290   4.646
  379   2HD1  LEU  49          2HD1      LEU  49   3.150  -0.322   5.757
  380   3HD1  LEU  49          3HD1      LEU  49   3.498  -0.176   4.033
  381   1HD2  LEU  49          1HD2      LEU  49   3.502   1.992   2.996
  382   2HD2  LEU  49          2HD2      LEU  49   3.457   3.454   3.988
  383   3HD2  LEU  49          3HD2      LEU  49   2.005   2.457   3.809
  384    H    SER  50           H        SER  50   1.935   1.967   9.505
  385    HA   SER  50           HA       SER  50   1.078   4.638   9.366
  386   1HB   SER  50          1HB       SER  50  -0.303   2.701  10.184
  387   2HB   SER  50          2HB       SER  50   0.676   2.687  11.649
  388    HG   SER  50           HG       SER  50  -0.600   4.169  12.375
  389    H    SER  51           H        SER  51   3.636   3.034  10.935
  390    HA   SER  51           HA       SER  51   3.978   5.169  12.782
  391   1HB   SER  51          1HB       SER  51   5.230   2.482  12.505
  392   2HB   SER  51          2HB       SER  51   5.886   3.687  13.598
  393    HG   SER  51           HG       SER  51   3.530   3.771  14.348
  394    H    LYS  52           H        LYS  52   5.319   4.082   9.847
  395    HA   LYS  52           HA       LYS  52   7.840   5.478  10.259
  396   1HB   LYS  52          1HB       LYS  52   7.258   3.844   7.853
  397   2HB   LYS  52          2HB       LYS  52   8.750   4.020   8.757
  398   1HG   LYS  52          1HG       LYS  52   6.352   2.416   9.552
  399   2HG   LYS  52          2HG       LYS  52   7.898   1.787   8.986
  400   1HD   LYS  52          1HD       LYS  52   7.594   3.430  11.492
  401   2HD   LYS  52          2HD       LYS  52   7.497   1.669  11.471
  402   1HE   LYS  52          1HE       LYS  52   9.762   1.519  10.649
  403   2HE   LYS  52          2HE       LYS  52   9.867   3.272  10.509
  404   1HZ   LYS  52          1HZ       LYS  52   9.386   1.863  13.076
  405   2HZ   LYS  52          2HZ       LYS  52   9.765   3.500  12.858
  406   3HZ   LYS  52          3HZ       LYS  52  10.931   2.306  12.532
  407    H    VAL  53           H        VAL  53   5.120   5.332   8.220
  408    HA   VAL  53           HA       VAL  53   5.434   6.763   6.091
  409    HB   VAL  53           HB       VAL  53   3.186   6.683   8.053
  410   1HG1  VAL  53          1HG1      VAL  53   1.739   7.649   6.218
  411   2HG1  VAL  53          2HG1      VAL  53   3.229   8.210   5.444
  412   3HG1  VAL  53          3HG1      VAL  53   2.781   8.823   7.038
  413   1HG2  VAL  53          1HG2      VAL  53   2.152   5.415   6.219
  414   2HG2  VAL  53          2HG2      VAL  53   3.656   4.708   6.809
  415   3HG2  VAL  53          3HG2      VAL  53   3.640   5.607   5.292
  416    H    GLY  54           H        GLY  54   6.789   8.170   5.925
  417   1HA   GLY  54          1HA       GLY  54   6.316  10.852   6.925
  418   2HA   GLY  54          2HA       GLY  54   7.794  10.117   7.546
  419    H    GLN  55           H        GLN  55   9.311  11.355   6.423
  420    HA   GLN  55           HA       GLN  55   8.790  12.248   3.761
  421   1HB   GLN  55          1HB       GLN  55  10.148  13.429   5.554
  422   2HB   GLN  55          2HB       GLN  55  11.457  12.324   5.149
  423   1HG   GLN  55          1HG       GLN  55  11.500  13.155   2.879
  424   2HG   GLN  55          2HG       GLN  55  10.128  14.210   3.217
  425   1HE2  GLN  55          1HE2      GLN  55  12.795  14.894   2.305
  426   2HE2  GLN  55          2HE2      GLN  55  13.438  15.991   3.477
  427    H    HIS  56           H        HIS  56   9.693   9.261   4.722
  428    HA   HIS  56           HA       HIS  56  11.349   8.776   2.326
  429   1HB   HIS  56          1HB       HIS  56  12.177   6.749   3.575
  430   2HB   HIS  56          2HB       HIS  56  12.637   8.290   4.281
  431    HD1  HIS  56           HD1      HIS  56  10.370   5.369   4.846
  432    HD2  HIS  56           HD2      HIS  56  11.694   8.757   6.843
  433    HE1  HIS  56           HE1      HIS  56   9.458   5.166   7.178
  434    HE2  HIS  56           HE2      HIS  56  10.202   7.276   8.357
  435    H    LEU  57           H        LEU  57   8.726   7.647   4.246
  436    HA   LEU  57           HA       LEU  57   7.582   6.333   1.906
  437   1HB   LEU  57          1HB       LEU  57   8.290   4.559   3.333
  438   2HB   LEU  57          2HB       LEU  57   7.792   5.360   4.776
  439    HG   LEU  57           HG       LEU  57   6.030   4.042   4.790
  440   1HD1  LEU  57          1HD1      LEU  57   4.265   4.079   3.088
  441   2HD1  LEU  57          2HD1      LEU  57   5.296   5.081   2.072
  442   3HD1  LEU  57          3HD1      LEU  57   4.734   5.690   3.625
  443   1HD2  LEU  57          1HD2      LEU  57   7.436   2.436   3.789
  444   2HD2  LEU  57          2HD2      LEU  57   6.990   2.989   2.179
  445   3HD2  LEU  57          3HD2      LEU  57   5.781   2.235   3.216
  446    H    GLN  58           H        GLN  58   6.169   7.960   1.467
  447    HA   GLN  58           HA       GLN  58   4.493   8.858   3.640
  448   1HB   GLN  58          1HB       GLN  58   3.613   9.982   1.179
  449   2HB   GLN  58          2HB       GLN  58   4.344  10.806   2.539
  450   1HG   GLN  58          1HG       GLN  58   5.901   9.564   0.281
  451   2HG   GLN  58          2HG       GLN  58   5.414  11.251   0.341
  452   1HE2  GLN  58          1HE2      GLN  58   7.782   9.008   1.161
  453   2HE2  GLN  58          2HE2      GLN  58   8.649   9.952   2.322
  454    H    LEU  59           H        LEU  59   2.956   7.565   3.968
  455    HA   LEU  59           HA       LEU  59   1.614   6.151   1.812
  456   1HB   LEU  59          1HB       LEU  59   2.283   5.005   4.045
  457   2HB   LEU  59          2HB       LEU  59   1.057   5.980   4.805
  458    HG   LEU  59           HG       LEU  59   0.734   3.636   2.968
  459   1HD1  LEU  59          1HD1      LEU  59   0.760   2.969   5.127
  460   2HD1  LEU  59          2HD1      LEU  59  -0.972   3.280   4.913
  461   3HD1  LEU  59          3HD1      LEU  59   0.053   4.481   5.724
  462   1HD2  LEU  59          1HD2      LEU  59  -1.652   4.092   2.819
  463   2HD2  LEU  59          2HD2      LEU  59  -0.688   5.317   1.975
  464   3HD2  LEU  59          3HD2      LEU  59  -1.399   5.679   3.554
  465    H    HIS  60           H        HIS  60   0.595   7.810   0.876
  466    HA   HIS  60           HA       HIS  60  -1.016   9.608   2.389
  467   1HB   HIS  60          1HB       HIS  60   0.170   9.672  -0.289
  468   2HB   HIS  60          2HB       HIS  60  -1.425  10.369  -0.162
  469    HD1  HIS  60           HD1      HIS  60  -1.362  12.791   0.232
  470    HD2  HIS  60           HD2      HIS  60   1.886  10.862   1.985
  471    HE1  HIS  60           HE1      HIS  60   0.024  14.604   1.285
  472    HE2  HIS  60           HE2      HIS  60   2.076  13.438   2.143
  473    H    ASP  61           H        ASP  61  -2.934  10.137   1.482
  474    HA   ASP  61           HA       ASP  61  -4.535   7.915   0.588
  475   1HB   ASP  61          1HB       ASP  61  -6.266   8.518   2.119
  476   2HB   ASP  61          2HB       ASP  61  -4.826   8.066   2.992
  477    H    SER  62           H        SER  62  -5.297   8.450  -1.106
  478    HA   SER  62           HA       SER  62  -6.391  11.112  -1.597
  479   1HB   SER  62          1HB       SER  62  -6.409   8.928  -3.625
  480   2HB   SER  62          2HB       SER  62  -6.378  10.659  -3.883
  481    HG   SER  62           HG       SER  62  -4.263   8.960  -3.114
  482    H    TYR  63           H        TYR  63  -8.617  11.296  -1.979
  483    HA   TYR  63           HA       TYR  63 -10.172   8.991  -1.278
  484   1HB   TYR  63          1HB       TYR  63  -9.695   9.482   0.852
  485   2HB   TYR  63          2HB       TYR  63  -9.533  11.202   0.587
  486    HD1  TYR  63           HD1      TYR  63 -11.291  12.640   1.212
  487    HD2  TYR  63           HD2      TYR  63 -12.036   8.472   0.853
  488    HE1  TYR  63           HE1      TYR  63 -13.546  12.967   2.141
  489    HE2  TYR  63           HE2      TYR  63 -14.284   8.784   1.783
  490    HH   TYR  63           HH       TYR  63 -15.818  11.661   1.974
  491    H    ASP  64           H        ASP  64 -11.317   9.121  -3.024
  492    HA   ASP  64           HA       ASP  64 -13.235  11.337  -2.958
  493   1HB   ASP  64          1HB       ASP  64 -11.835  11.098  -5.087
  494   2HB   ASP  64          2HB       ASP  64 -12.894   9.737  -5.428
  495    H    ARG  65           H        ARG  65 -15.034  10.825  -2.382
  496    HA   ARG  65           HA       ARG  65 -15.744   8.091  -1.859
  497   1HB   ARG  65          1HB       ARG  65 -16.314  10.584  -0.715
  498   2HB   ARG  65          2HB       ARG  65 -17.855   9.988  -1.328
  499   1HG   ARG  65          1HG       ARG  65 -15.982   8.513   0.485
  500   2HG   ARG  65          2HG       ARG  65 -17.506   9.280   0.956
  501   1HD   ARG  65          1HD       ARG  65 -17.357   7.240  -1.219
  502   2HD   ARG  65          2HD       ARG  65 -17.538   6.754   0.475
  503    HE   ARG  65           HE       ARG  65 -19.456   8.536  -0.908
  504   1HH1  ARG  65          1HH1      ARG  65 -18.771   5.793   1.176
  505   2HH1  ARG  65          2HH1      ARG  65 -20.439   5.443   1.468
  506   1HH2  ARG  65          1HH2      ARG  65 -21.641   8.073  -0.528
  507   2HH2  ARG  65          2HH2      ARG  65 -22.085   6.733   0.481
  508    H    ALA  66           H        ALA  66 -16.808  10.652  -3.907
  509    HA   ALA  66           HA       ALA  66 -19.087   9.320  -4.952
  510   1HB   ALA  66          1HB       ALA  66 -17.639  11.735  -6.012
  511   2HB   ALA  66          2HB       ALA  66 -18.971  11.756  -4.857
  512   3HB   ALA  66          3HB       ALA  66 -19.241  11.188  -6.505
  513    H    SER  67           H        SER  67 -15.752   9.496  -5.783
  514    HA   SER  67           HA       SER  67 -16.153   8.266  -8.385
  515   1HB   SER  67          1HB       SER  67 -13.575   8.982  -6.970
  516   2HB   SER  67          2HB       SER  67 -13.732   8.492  -8.657
  517    HG   SER  67           HG       SER  67 -14.847  10.823  -7.462
  518    H    LYS  68           H        LYS  68 -15.700   7.566  -5.166
  519    HA   LYS  68           HA       LYS  68 -15.976   5.615  -4.058
  520   1HB   LYS  68          1HB       LYS  68 -17.269   5.052  -6.228
  521   2HB   LYS  68          2HB       LYS  68 -15.832   4.141  -6.655
  522   1HG   LYS  68          1HG       LYS  68 -16.858   2.446  -5.626
  523   2HG   LYS  68          2HG       LYS  68 -16.317   3.246  -4.147
  524   1HD   LYS  68          1HD       LYS  68 -18.941   3.859  -5.475
  525   2HD   LYS  68          2HD       LYS  68 -18.760   2.620  -4.229
  526   1HE   LYS  68          1HE       LYS  68 -18.234   4.179  -2.577
  527   2HE   LYS  68          2HE       LYS  68 -17.799   5.420  -3.758
  528   1HZ   LYS  68          1HZ       LYS  68 -20.560   4.391  -3.386
  529   2HZ   LYS  68          2HZ       LYS  68 -20.074   5.711  -4.335
  530   3HZ   LYS  68          3HZ       LYS  68 -19.969   5.799  -2.650
  531    H    VAL  69           H        VAL  69 -13.368   6.782  -4.859
  532    HA   VAL  69           HA       VAL  69 -11.787   4.329  -4.565
  533    HB   VAL  69           HB       VAL  69 -10.748   6.569  -6.233
  534   1HG1  VAL  69          1HG1      VAL  69 -10.010   3.666  -5.982
  535   2HG1  VAL  69          2HG1      VAL  69  -9.104   5.053  -5.376
  536   3HG1  VAL  69          3HG1      VAL  69  -9.262   4.795  -7.113
  537   1HG2  VAL  69          1HG2      VAL  69 -12.252   4.163  -7.256
  538   2HG2  VAL  69          2HG2      VAL  69 -11.328   5.278  -8.263
  539   3HG2  VAL  69          3HG2      VAL  69 -12.753   5.849  -7.395
  540    H    TYR  70           H        TYR  70 -10.763   4.483  -2.795
  541    HA   TYR  70           HA       TYR  70  -9.523   7.004  -2.050
  542   1HB   TYR  70          1HB       TYR  70  -9.405   4.524  -0.395
  543   2HB   TYR  70          2HB       TYR  70  -9.119   6.166   0.107
  544    HD1  TYR  70           HD1      TYR  70 -10.890   4.326   1.644
  545    HD2  TYR  70           HD2      TYR  70 -11.760   6.995  -1.552
  546    HE1  TYR  70           HE1      TYR  70 -13.202   4.506   2.437
  547    HE2  TYR  70           HE2      TYR  70 -14.083   7.175  -0.768
  548    HH   TYR  70           HH       TYR  70 -15.688   5.862   0.576
  549    H    LEU  71           H        LEU  71  -7.724   7.164  -3.036
  550    HA   LEU  71           HA       LEU  71  -6.156   4.807  -3.690
  551   1HB   LEU  71          1HB       LEU  71  -6.417   6.028  -5.663
  552   2HB   LEU  71          2HB       LEU  71  -6.244   7.571  -4.853
  553    HG   LEU  71           HG       LEU  71  -3.847   7.231  -4.610
  554   1HD1  LEU  71          1HD1      LEU  71  -4.279   4.573  -5.966
  555   2HD1  LEU  71          2HD1      LEU  71  -3.792   4.827  -4.287
  556   3HD1  LEU  71          3HD1      LEU  71  -2.715   5.304  -5.600
  557   1HD2  LEU  71          1HD2      LEU  71  -4.668   8.223  -6.684
  558   2HD2  LEU  71          2HD2      LEU  71  -4.748   6.620  -7.418
  559   3HD2  LEU  71          3HD2      LEU  71  -3.191   7.297  -6.942
  560    H    PHE  72           H        PHE  72  -5.017   4.354  -2.066
  561    HA   PHE  72           HA       PHE  72  -3.623   6.339  -0.552
  562   1HB   PHE  72          1HB       PHE  72  -3.626   3.350  -0.456
  563   2HB   PHE  72          2HB       PHE  72  -2.696   4.342   0.648
  564    HD1  PHE  72           HD1      PHE  72  -6.024   3.145  -0.290
  565    HD2  PHE  72           HD2      PHE  72  -3.797   5.579   2.398
  566    HE1  PHE  72           HE1      PHE  72  -7.960   3.243   1.219
  567    HE2  PHE  72           HE2      PHE  72  -5.733   5.686   3.911
  568    HZ   PHE  72           HZ       PHE  72  -7.816   4.516   3.320
  569    H    GLU  73           H        GLU  73  -1.889   7.081  -1.221
  570    HA   GLU  73           HA       GLU  73  -0.336   5.732  -3.302
  571   1HB   GLU  73          1HB       GLU  73  -0.363   8.627  -2.540
  572   2HB   GLU  73          2HB       GLU  73   0.780   7.932  -3.657
  573   1HG   GLU  73          1HG       GLU  73  -1.244   7.236  -5.036
  574   2HG   GLU  73          2HG       GLU  73  -2.161   8.353  -4.017
  575    H    LEU  74           H        LEU  74   1.431   4.968  -2.782
  576    HA   LEU  74           HA       LEU  74   2.787   5.780  -0.360
  577   1HB   LEU  74          1HB       LEU  74   3.247   3.540  -2.293
  578   2HB   LEU  74          2HB       LEU  74   4.411   3.937  -1.049
  579    HG   LEU  74           HG       LEU  74   2.997   2.079  -0.352
  580   1HD1  LEU  74          1HD1      LEU  74   3.833   3.662   1.304
  581   2HD1  LEU  74          2HD1      LEU  74   2.243   3.042   1.767
  582   3HD1  LEU  74          3HD1      LEU  74   2.394   4.659   1.077
  583   1HD2  LEU  74          1HD2      LEU  74   0.721   4.021  -0.698
  584   2HD2  LEU  74          2HD2      LEU  74   0.607   2.421   0.036
  585   3HD2  LEU  74          3HD2      LEU  74   1.018   2.581  -1.672
  586    H    HIS  75           H        HIS  75   4.336   7.075  -0.487
  587    HA   HIS  75           HA       HIS  75   5.801   7.303  -3.023
  588   1HB   HIS  75          1HB       HIS  75   5.250   9.596  -1.103
  589   2HB   HIS  75          2HB       HIS  75   6.286   9.686  -2.522
  590    HD1  HIS  75           HD1      HIS  75   3.501  11.283  -1.834
  591    HD2  HIS  75           HD2      HIS  75   4.131   8.268  -4.641
  592    HE1  HIS  75           HE1      HIS  75   1.685  11.557  -3.557
  593    HE2  HIS  75           HE2      HIS  75   1.959   9.605  -5.120
  594    H    ILE  76           H        ILE  76   7.294   5.969  -2.493
  595    HA   ILE  76           HA       ILE  76   8.533   6.269   0.135
  596    HB   ILE  76           HB       ILE  76   8.155   3.788  -1.483
  597   1HG1  ILE  76          1HG1      ILE  76   6.784   4.580   1.078
  598   2HG1  ILE  76          2HG1      ILE  76   6.075   4.804  -0.528
  599   1HG2  ILE  76          1HG2      ILE  76  10.162   3.735  -0.075
  600   2HG2  ILE  76          2HG2      ILE  76   8.938   2.607   0.502
  601   3HG2  ILE  76          3HG2      ILE  76   9.175   4.145   1.330
  602   1HD1  ILE  76          1HD1      ILE  76   5.258   2.777   0.556
  603   2HD1  ILE  76          2HD1      ILE  76   6.908   2.155   0.614
  604   3HD1  ILE  76          3HD1      ILE  76   6.124   2.433  -0.941
  605    H    THR  77           H        THR  77  10.273   7.201  -0.235
  606    HA   THR  77           HA       THR  77  11.819   6.662  -2.580
  607    HB   THR  77           HB       THR  77  12.605   8.943  -2.441
  608    HG1  THR  77           HG1      THR  77  12.358   9.313  -0.193
  609   1HG2  THR  77          1HG2      THR  77  10.610  10.005  -3.192
  610   2HG2  THR  77          2HG2      THR  77   9.620   8.867  -2.280
  611   3HG2  THR  77          3HG2      THR  77  10.537   8.303  -3.679
  612    H    ASP  78           H        ASP  78  13.755   6.436  -2.398
  613    HA   ASP  78           HA       ASP  78  15.780   5.803  -1.682
  614   1HB   ASP  78          1HB       ASP  78  15.050   7.519   0.633
  615   2HB   ASP  78          2HB       ASP  78  16.629   6.862   0.272
  616    H    ALA  79           H        ALA  79  14.649   3.876  -1.517
  617    HA   ALA  79           HA       ALA  79  13.596   2.716   0.776
  618   1HB   ALA  79          1HB       ALA  79  13.131   1.830  -1.429
  619   2HB   ALA  79          2HB       ALA  79  13.888   0.583  -0.436
  620   3HB   ALA  79          3HB       ALA  79  14.834   1.438  -1.657
  621    H    GLN  80           H        GLN  80  14.553   2.035   2.529
  622    HA   GLN  80           HA       GLN  80  17.275   1.995   3.067
  623   1HB   GLN  80          1HB       GLN  80  15.808   1.927   4.925
  624   2HB   GLN  80          2HB       GLN  80  14.896   0.576   4.264
  625   1HG   GLN  80          1HG       GLN  80  16.046  -0.593   5.778
  626   2HG   GLN  80          2HG       GLN  80  17.288  -0.591   4.526
  627   1HE2  GLN  80          1HE2      GLN  80  17.884   2.279   4.946
  628   2HE2  GLN  80          2HE2      GLN  80  18.788   2.350   6.417
  629    HA   PRO  81           HA       PRO  81  18.510  -1.673   0.834
  630   1HB   PRO  81          1HB       PRO  81  20.820  -2.223   2.217
  631   2HB   PRO  81          2HB       PRO  81  20.708  -0.993   0.955
  632   1HG   PRO  81          1HG       PRO  81  20.666  -0.676   3.923
  633   2HG   PRO  81          2HG       PRO  81  21.433   0.346   2.694
  634   1HD   PRO  81          1HD       PRO  81  19.075   0.984   3.900
  635   2HD   PRO  81          2HD       PRO  81  19.484   1.483   2.245
  636    H    ALA  82           H        ALA  82  18.358  -3.869   1.128
  637    HA   ALA  82           HA       ALA  82  17.655  -5.825   2.034
  638   1HB   ALA  82          1HB       ALA  82  19.555  -5.635   3.550
  639   2HB   ALA  82          2HB       ALA  82  18.162  -6.335   4.376
  640   3HB   ALA  82          3HB       ALA  82  18.594  -4.647   4.650
  641    H    PHE  83           H        PHE  83  16.054  -3.189   2.064
  642    HA   PHE  83           HA       PHE  83  14.097  -3.509   4.079
  643   1HB   PHE  83          1HB       PHE  83  14.658  -1.624   2.068
  644   2HB   PHE  83          2HB       PHE  83  13.079  -2.267   1.658
  645    HD1  PHE  83           HD1      PHE  83  13.375  -2.469   5.115
  646    HD2  PHE  83           HD2      PHE  83  12.735   0.426   2.025
  647    HE1  PHE  83           HE1      PHE  83  12.348  -0.925   6.739
  648    HE2  PHE  83           HE2      PHE  83  11.699   1.925   3.643
  649    HZ   PHE  83           HZ       PHE  83  11.512   1.419   5.835
  650    H    THR  84           H        THR  84  14.683  -4.961   1.030
  651    HA   THR  84           HA       THR  84  13.119  -5.548  -0.627
  652    HB   THR  84           HB       THR  84  13.342  -7.736   1.387
  653    HG1  THR  84           HG1      THR  84  15.171  -8.249  -0.141
  654   1HG2  THR  84          1HG2      THR  84  11.705  -8.298  -0.323
  655   2HG2  THR  84          2HG2      THR  84  13.185  -9.206  -0.640
  656   3HG2  THR  84          3HG2      THR  84  12.812  -7.763  -1.594
  657    H    GLY  85           H        GLY  85  11.416  -4.306  -0.512
  658   1HA   GLY  85          1HA       GLY  85   9.799  -4.044   1.737
  659   2HA   GLY  85          2HA       GLY  85   9.528  -3.303   0.185
  660    H    GLY  86           H        GLY  86   8.860  -5.884   2.207
  661   1HA   GLY  86          1HA       GLY  86   6.858  -6.968   0.415
  662   2HA   GLY  86          2HA       GLY  86   7.229  -7.553   2.025
  663    H    TYR  87           H        TYR  87   6.058  -4.754   0.378
  664    HA   TYR  87           HA       TYR  87   4.470  -3.784   2.556
  665   1HB   TYR  87          1HB       TYR  87   4.465  -3.160  -0.412
  666   2HB   TYR  87          2HB       TYR  87   3.555  -2.268   0.805
  667    HD1  TYR  87           HD1      TYR  87   7.030  -3.237  -0.164
  668    HD2  TYR  87           HD2      TYR  87   4.544  -0.515   1.963
  669    HE1  TYR  87           HE1      TYR  87   8.967  -1.762   0.204
  670    HE2  TYR  87           HE2      TYR  87   6.478   0.937   2.361
  671    HH   TYR  87           HH       TYR  87   9.356   0.689   0.716
  672    H    ARG  88           H        ARG  88   2.485  -4.625   3.131
  673    HA   ARG  88           HA       ARG  88   1.094  -6.263   1.121
  674   1HB   ARG  88          1HB       ARG  88   1.325  -6.751   4.101
  675   2HB   ARG  88          2HB       ARG  88   0.270  -7.656   3.024
  676   1HG   ARG  88          1HG       ARG  88   2.197  -8.475   1.793
  677   2HG   ARG  88          2HG       ARG  88   3.272  -7.521   2.817
  678   1HD   ARG  88          1HD       ARG  88   2.630  -8.800   4.758
  679   2HD   ARG  88          2HD       ARG  88   1.425  -9.683   3.821
  680    HE   ARG  88           HE       ARG  88   3.589 -10.313   2.466
  681   1HH1  ARG  88          1HH1      ARG  88   3.121 -10.178   5.926
  682   2HH1  ARG  88          2HH1      ARG  88   4.288 -11.423   6.269
  683   1HH2  ARG  88          1HH2      ARG  88   5.148 -11.913   2.895
  684   2HH2  ARG  88          2HH2      ARG  88   5.459 -12.397   4.530
  685    H    CYS  89           H        CYS  89  -0.665  -5.209   0.525
  686    HA   CYS  89           HA       CYS  89  -1.936  -3.418   2.447
  687   1HB   CYS  89          1HB       CYS  89  -1.361  -2.939  -0.094
  688   2HB   CYS  89          2HB       CYS  89  -2.934  -3.689  -0.337
  689    HG   CYS  89           HG       CYS  89  -2.216  -0.825   1.362
  690    H    GLU  90           H        GLU  90  -3.635  -3.995   3.484
  691    HA   GLU  90           HA       GLU  90  -5.247  -6.247   2.491
  692   1HB   GLU  90          1HB       GLU  90  -4.423  -5.694   5.355
  693   2HB   GLU  90          2HB       GLU  90  -5.480  -6.996   4.837
  694   1HG   GLU  90          1HG       GLU  90  -3.730  -8.161   3.818
  695   2HG   GLU  90          2HG       GLU  90  -2.679  -6.742   3.803
  696    H    VAL  91           H        VAL  91  -7.197  -5.395   1.989
  697    HA   VAL  91           HA       VAL  91  -8.263  -3.330   3.791
  698    HB   VAL  91           HB       VAL  91  -8.142  -2.432   1.603
  699   1HG1  VAL  91          1HG1      VAL  91  -7.958  -4.501   0.341
  700   2HG1  VAL  91          2HG1      VAL  91  -9.195  -3.451  -0.352
  701   3HG1  VAL  91          3HG1      VAL  91  -9.662  -4.840   0.630
  702   1HG2  VAL  91          1HG2      VAL  91 -10.927  -3.186   2.418
  703   2HG2  VAL  91          2HG2      VAL  91 -10.610  -2.122   1.051
  704   3HG2  VAL  91          3HG2      VAL  91 -10.081  -1.658   2.667
  705    H    SER  92           H        SER  92 -10.225  -3.501   4.657
  706    HA   SER  92           HA       SER  92 -11.623  -6.068   4.368
  707   1HB   SER  92          1HB       SER  92 -10.061  -6.169   6.320
  708   2HB   SER  92          2HB       SER  92 -10.920  -4.807   7.033
  709    HG   SER  92           HG       SER  92 -12.192  -7.234   6.303
  710    H    THR  93           H        THR  93 -13.519  -5.495   3.648
  711    HA   THR  93           HA       THR  93 -15.011  -3.309   4.938
  712    HB   THR  93           HB       THR  93 -16.289  -3.330   2.824
  713    HG1  THR  93           HG1      THR  93 -14.123  -4.911   1.909
  714   1HG2  THR  93          1HG2      THR  93 -13.391  -2.804   2.424
  715   2HG2  THR  93          2HG2      THR  93 -14.398  -1.810   3.481
  716   3HG2  THR  93          3HG2      THR  93 -14.758  -1.925   1.745
  717    H    LYS  94           H        LYS  94 -17.433  -3.729   4.253
  718    HA   LYS  94           HA       LYS  94 -18.808  -5.217   5.869
  719   1HB   LYS  94          1HB       LYS  94 -20.294  -5.832   3.677
  720   2HB   LYS  94          2HB       LYS  94 -20.331  -4.315   4.533
  721   1HG   LYS  94          1HG       LYS  94 -20.254  -3.879   2.195
  722   2HG   LYS  94          2HG       LYS  94 -18.727  -3.378   2.909
  723   1HD   LYS  94          1HD       LYS  94 -18.382  -4.477   0.777
  724   2HD   LYS  94          2HD       LYS  94 -17.688  -5.433   2.082
  725   1HE   LYS  94          1HE       LYS  94 -18.930  -6.733   0.344
  726   2HE   LYS  94          2HE       LYS  94 -19.465  -6.996   2.003
  727   1HZ   LYS  94          1HZ       LYS  94 -21.369  -5.630   1.644
  728   2HZ   LYS  94          2HZ       LYS  94 -21.287  -6.736   0.360
  729   3HZ   LYS  94          3HZ       LYS  94 -20.805  -5.125   0.125
  730    H    ASP  95           H        ASP  95 -17.411  -6.487   2.980
  731    HA   ASP  95           HA       ASP  95 -17.016  -9.096   3.966
  732   1HB   ASP  95          1HB       ASP  95 -19.609  -8.713   3.308
  733   2HB   ASP  95          2HB       ASP  95 -18.964  -9.323   1.791
  734    H    LYS  96           H        LYS  96 -16.255  -6.716   1.997
  735    HA   LYS  96           HA       LYS  96 -15.361  -8.401  -0.198
  736   1HB   LYS  96          1HB       LYS  96 -16.016  -5.607  -0.172
  737   2HB   LYS  96          2HB       LYS  96 -14.317  -5.764  -0.499
  738   1HG   LYS  96          1HG       LYS  96 -16.335  -7.366  -1.981
  739   2HG   LYS  96          2HG       LYS  96 -15.956  -5.709  -2.445
  740   1HD   LYS  96          1HD       LYS  96 -13.534  -6.417  -2.535
  741   2HD   LYS  96          2HD       LYS  96 -14.101  -8.081  -2.368
  742   1HE   LYS  96          1HE       LYS  96 -15.089  -6.219  -4.509
  743   2HE   LYS  96          2HE       LYS  96 -13.685  -7.259  -4.731
  744   1HZ   LYS  96          1HZ       LYS  96 -16.377  -8.248  -3.994
  745   2HZ   LYS  96          2HZ       LYS  96 -15.036  -9.179  -4.464
  746   3HZ   LYS  96          3HZ       LYS  96 -15.810  -8.173  -5.592
  747    H    PHE  97           H        PHE  97 -13.449  -9.156  -0.176
  748    HA   PHE  97           HA       PHE  97 -11.529  -8.056   1.731
  749   1HB   PHE  97          1HB       PHE  97 -12.849 -10.116   2.469
  750   2HB   PHE  97          2HB       PHE  97 -11.831 -11.000   1.339
  751    HD1  PHE  97           HD1      PHE  97 -11.955  -9.279   4.537
  752    HD2  PHE  97           HD2      PHE  97  -9.409 -11.153   1.687
  753    HE1  PHE  97           HE1      PHE  97 -10.156  -9.374   6.214
  754    HE2  PHE  97           HE2      PHE  97  -7.612 -11.267   3.360
  755    HZ   PHE  97           HZ       PHE  97  -7.976 -10.375   5.624
  756    H    ASP  98           H        ASP  98  -9.718  -7.657   0.933
  757    HA   ASP  98           HA       ASP  98  -8.592  -9.237  -1.244
  758   1HB   ASP  98          1HB       ASP  98  -9.059  -6.256  -1.432
  759   2HB   ASP  98          2HB       ASP  98  -7.934  -7.123  -2.461
  760    H    CYS  99           H        CYS  99  -6.393  -9.255  -1.244
  761    HA   CYS  99           HA       CYS  99  -4.966  -7.291   0.356
  762   1HB   CYS  99          1HB       CYS  99  -3.520  -9.100   1.335
  763   2HB   CYS  99          2HB       CYS  99  -5.164  -9.053   1.951
  764    HG   CYS  99           HG       CYS  99  -6.044 -11.231   0.410
  765    H    SER 100           H        SER 100  -2.890  -6.920  -0.316
  766    HA   SER 100           HA       SER 100  -2.137  -8.281  -2.828
  767   1HB   SER 100          1HB       SER 100  -1.483  -6.051  -3.747
  768   2HB   SER 100          2HB       SER 100  -3.201  -6.210  -3.436
  769    HG   SER 100           HG       SER 100  -1.432  -4.465  -2.385
  770    H    ASN 101           H        ASN 101  -0.080  -8.862  -2.995
  771    HA   ASN 101           HA       ASN 101   1.825  -7.815  -1.023
  772   1HB   ASN 101          1HB       ASN 101   3.085  -9.852  -1.226
  773   2HB   ASN 101          2HB       ASN 101   1.409 -10.261  -0.922
  774   1HD2  ASN 101          1HD2      ASN 101   0.753  -9.714  -3.839
  775   2HD2  ASN 101          2HD2      ASN 101   1.306 -11.135  -4.635
  776    H    PHE 102           H        PHE 102   3.416  -6.541  -1.698
  777    HA   PHE 102           HA       PHE 102   4.309  -6.747  -4.468
  778   1HB   PHE 102          1HB       PHE 102   4.256  -4.091  -4.379
  779   2HB   PHE 102          2HB       PHE 102   2.890  -5.029  -4.955
  780    HD1  PHE 102           HD1      PHE 102   3.949  -2.502  -2.743
  781    HD2  PHE 102           HD2      PHE 102   1.079  -5.601  -3.166
  782    HE1  PHE 102           HE1      PHE 102   2.524  -1.403  -1.073
  783    HE2  PHE 102           HE2      PHE 102  -0.358  -4.501  -1.508
  784    HZ   PHE 102           HZ       PHE 102   0.331  -2.413  -0.478
  785    H    ASN 103           H        ASN 103   6.438  -6.833  -4.476
  786    HA   ASN 103           HA       ASN 103   7.777  -6.245  -1.971
  787   1HB   ASN 103          1HB       ASN 103   8.689  -7.949  -4.270
  788   2HB   ASN 103          2HB       ASN 103   9.407  -7.845  -2.695
  789   1HD2  ASN 103          1HD2      ASN 103   8.300 -10.140  -4.174
  790   2HD2  ASN 103          2HD2      ASN 103   7.147 -10.842  -3.101
  791    H    LEU 104           H        LEU 104   9.494  -5.066  -1.886
  792    HA   LEU 104           HA       LEU 104  10.377  -3.656  -4.315
  793   1HB   LEU 104          1HB       LEU 104   9.757  -1.875  -3.053
  794   2HB   LEU 104          2HB       LEU 104   9.968  -2.715  -1.520
  795    HG   LEU 104           HG       LEU 104  12.476  -2.379  -2.690
  796   1HD1  LEU 104          1HD1      LEU 104  11.559  -0.741  -4.167
  797   2HD1  LEU 104          2HD1      LEU 104  12.576   0.057  -2.963
  798   3HD1  LEU 104          3HD1      LEU 104  10.818   0.104  -2.803
  799   1HD2  LEU 104          1HD2      LEU 104  11.308  -0.728  -0.472
  800   2HD2  LEU 104          2HD2      LEU 104  13.012  -1.119  -0.743
  801   3HD2  LEU 104          3HD2      LEU 104  11.884  -2.380  -0.257
  802    H    THR 105           H        THR 105  12.222  -4.474  -5.038
  803    HA   THR 105           HA       THR 105  14.068  -5.711  -3.154
  804    HB   THR 105           HB       THR 105  14.416  -5.644  -6.143
  805    HG1  THR 105           HG1      THR 105  12.908  -7.135  -6.342
  806   1HG2  THR 105          1HG2      THR 105  16.345  -6.351  -4.856
  807   2HG2  THR 105          2HG2      THR 105  15.647  -7.745  -5.684
  808   3HG2  THR 105          3HG2      THR 105  15.360  -7.506  -3.960
  809    H    VAL 106           H        VAL 106  15.149  -4.093  -2.217
  810    HA   VAL 106           HA       VAL 106  16.066  -1.842  -3.689
  811    HB   VAL 106           HB       VAL 106  15.171  -1.448  -1.450
  812   1HG1  VAL 106          1HG1      VAL 106  15.494  -3.330  -0.238
  813   2HG1  VAL 106          2HG1      VAL 106  16.624  -2.179   0.490
  814   3HG1  VAL 106          3HG1      VAL 106  17.214  -3.409  -0.629
  815   1HG2  VAL 106          1HG2      VAL 106  18.107  -0.907  -1.673
  816   2HG2  VAL 106          2HG2      VAL 106  17.019  -0.130  -0.523
  817   3HG2  VAL 106          3HG2      VAL 106  16.797   0.126  -2.257
  818    H    HIS 107           H        HIS 107  17.799  -1.695  -4.520
  819    HA   HIS 107           HA       HIS 107  19.968  -3.605  -4.090
  820   1HB   HIS 107          1HB       HIS 107  19.273  -1.954  -6.534
  821   2HB   HIS 107          2HB       HIS 107  20.691  -2.993  -6.403
  822    HD1  HIS 107           HD1      HIS 107  20.043  -5.612  -5.870
  823    HD2  HIS 107           HD2      HIS 107  17.117  -3.219  -7.594
  824    HE1  HIS 107           HE1      HIS 107  18.311  -7.190  -6.747
  825    HE2  HIS 107           HE2      HIS 107  16.674  -5.746  -7.993
  826    H    GLU 108           H        GLU 108  21.163  -2.667  -2.621
  827    HA   GLU 108           HA       GLU 108  21.883   0.054  -2.507
  828   1HB   GLU 108          1HB       GLU 108  22.065  -1.558  -0.608
  829   2HB   GLU 108          2HB       GLU 108  23.447  -2.286  -1.417
  830   1HG   GLU 108          1HG       GLU 108  24.650  -0.165  -1.272
  831   2HG   GLU 108          2HG       GLU 108  23.269   0.560  -0.452
  832    H    ALA 109           H        ALA 109  24.248  -2.524  -3.024
  833    HA   ALA 109           HA       ALA 109  25.226  -1.738  -5.520
  834   1HB   ALA 109          1HB       ALA 109  26.746  -0.540  -3.196
  835   2HB   ALA 109          2HB       ALA 109  25.862   0.356  -4.431
  836   3HB   ALA 109          3HB       ALA 109  27.297  -0.571  -4.871
  837    H    MET 110           H        MET 110  27.802  -2.398  -5.492
  838    HA   MET 110           HA       MET 110  28.389  -4.517  -3.628
  839   1HB   MET 110          1HB       MET 110  26.965  -5.652  -5.337
  840   2HB   MET 110          2HB       MET 110  28.124  -5.177  -6.571
  841   1HG   MET 110          1HG       MET 110  29.861  -6.467  -5.408
  842   2HG   MET 110          2HG       MET 110  28.657  -6.993  -4.232
  843   1HE   MET 110          1HE       MET 110  28.678  -8.141  -8.697
  844   2HE   MET 110          2HE       MET 110  29.931  -7.186  -7.901
  845   3HE   MET 110          3HE       MET 110  28.323  -6.504  -8.144
  Start of MODEL   12
    1    H    ASP   1           H        ASP   1 -19.922 -11.105   2.158
    2    HA   ASP   1           HA       ASP   1 -18.441  -9.749   0.906
    3   1HB   ASP   1          1HB       ASP   1 -16.833 -10.829  -0.203
    4   2HB   ASP   1          2HB       ASP   1 -17.828 -12.261  -0.415
    5    H    ASP   2           H        ASP   2 -19.210  -8.282  -0.508
    6    HA   ASP   2           HA       ASP   2 -21.689  -8.869  -1.936
    7   1HB   ASP   2          1HB       ASP   2 -22.341  -7.968   0.180
    8   2HB   ASP   2          2HB       ASP   2 -21.090  -6.746   0.103
    9    HA   PRO   3           HA       PRO   3 -19.748  -6.907  -5.377
   10   1HB   PRO   3          1HB       PRO   3 -22.240  -5.305  -5.675
   11   2HB   PRO   3          2HB       PRO   3 -21.377  -6.287  -6.865
   12   1HG   PRO   3          1HG       PRO   3 -23.603  -7.203  -5.752
   13   2HG   PRO   3          2HG       PRO   3 -22.225  -8.285  -6.028
   14   1HD   PRO   3          1HD       PRO   3 -23.172  -7.038  -3.487
   15   2HD   PRO   3          2HD       PRO   3 -22.489  -8.652  -3.765
   16    H    ILE   4           H        ILE   4 -18.150  -5.674  -4.479
   17    HA   ILE   4           HA       ILE   4 -18.709  -2.787  -4.254
   18    HB   ILE   4           HB       ILE   4 -17.112  -4.556  -2.478
   19   1HG1  ILE   4          1HG1      ILE   4 -17.842  -2.765  -0.823
   20   2HG1  ILE   4          2HG1      ILE   4 -18.799  -2.089  -2.136
   21   1HG2  ILE   4          1HG2      ILE   4 -16.304  -1.694  -2.990
   22   2HG2  ILE   4          2HG2      ILE   4 -15.348  -3.128  -3.361
   23   3HG2  ILE   4          3HG2      ILE   4 -15.700  -2.714  -1.686
   24   1HD1  ILE   4          1HD1      ILE   4 -19.977  -4.222  -2.334
   25   2HD1  ILE   4          2HD1      ILE   4 -20.157  -3.485  -0.739
   26   3HD1  ILE   4          3HD1      ILE   4 -19.038  -4.834  -0.968
   27    H    GLY   5           H        GLY   5 -16.029  -5.076  -4.664
   28   1HA   GLY   5          1HA       GLY   5 -14.418  -5.091  -6.391
   29   2HA   GLY   5          2HA       GLY   5 -15.088  -3.569  -6.975
   30    H    LEU   6           H        LEU   6 -13.907  -4.762  -3.944
   31    HA   LEU   6           HA       LEU   6 -13.240  -2.279  -2.886
   32   1HB   LEU   6          1HB       LEU   6 -13.725  -4.603  -1.829
   33   2HB   LEU   6          2HB       LEU   6 -12.005  -4.858  -2.010
   34    HG   LEU   6           HG       LEU   6 -11.549  -2.972  -0.560
   35   1HD1  LEU   6          1HD1      LEU   6 -13.292  -1.765   0.586
   36   2HD1  LEU   6          2HD1      LEU   6 -14.526  -2.731  -0.215
   37   3HD1  LEU   6          3HD1      LEU   6 -13.533  -1.616  -1.155
   38   1HD2  LEU   6          1HD2      LEU   6 -13.554  -4.889   0.575
   39   2HD2  LEU   6          2HD2      LEU   6 -12.388  -3.944   1.502
   40   3HD2  LEU   6          3HD2      LEU   6 -11.827  -5.188   0.383
   41    H    PHE   7           H        PHE   7 -11.311  -4.773  -4.419
   42    HA   PHE   7           HA       PHE   7  -8.949  -3.135  -4.172
   43   1HB   PHE   7          1HB       PHE   7  -9.393  -5.885  -4.264
   44   2HB   PHE   7          2HB       PHE   7  -8.595  -5.499  -5.785
   45    HD1  PHE   7           HD1      PHE   7  -8.290  -5.460  -2.138
   46    HD2  PHE   7           HD2      PHE   7  -6.343  -4.747  -5.837
   47    HE1  PHE   7           HE1      PHE   7  -6.121  -5.385  -0.969
   48    HE2  PHE   7           HE2      PHE   7  -4.172  -4.675  -4.692
   49    HZ   PHE   7           HZ       PHE   7  -4.043  -5.006  -2.265
   50    H    VAL   8           H        VAL   8  -9.629  -1.441  -5.449
   51    HA   VAL   8           HA       VAL   8 -10.449  -1.748  -8.159
   52    HB   VAL   8           HB       VAL   8  -9.291   0.729  -6.873
   53   1HG1  VAL   8          1HG1      VAL   8 -10.632   1.922  -8.542
   54   2HG1  VAL   8          2HG1      VAL   8 -11.136   0.378  -9.230
   55   3HG1  VAL   8          3HG1      VAL   8  -9.441   0.858  -9.296
   56   1HG2  VAL   8          1HG2      VAL   8 -12.156  -0.206  -6.933
   57   2HG2  VAL   8          2HG2      VAL   8 -11.594   1.356  -6.339
   58   3HG2  VAL   8          3HG2      VAL   8 -11.117  -0.126  -5.511
   59    H    MET   9           H        MET   9  -7.400  -0.740  -6.625
   60    HA   MET   9           HA       MET   9  -5.997  -1.759  -8.980
   61   1HB   MET   9          1HB       MET   9  -5.552   0.920  -7.737
   62   2HB   MET   9          2HB       MET   9  -4.303   0.102  -8.656
   63   1HG   MET   9          1HG       MET   9  -7.025   0.831  -9.663
   64   2HG   MET   9          2HG       MET   9  -5.533   1.695 -10.024
   65   1HE   MET   9          1HE       MET   9  -6.305   0.026 -13.456
   66   2HE   MET   9          2HE       MET   9  -5.924   1.527 -12.609
   67   3HE   MET   9          3HE       MET   9  -7.459   0.711 -12.313
   68    H    ARG  10           H        ARG  10  -4.380  -3.060  -8.470
   69    HA   ARG  10           HA       ARG  10  -3.543  -3.265  -5.692
   70   1HB   ARG  10          1HB       ARG  10  -2.507  -5.018  -7.896
   71   2HB   ARG  10          2HB       ARG  10  -2.701  -5.375  -6.187
   72   1HG   ARG  10          1HG       ARG  10  -5.216  -5.217  -6.627
   73   2HG   ARG  10          2HG       ARG  10  -4.790  -5.313  -8.334
   74   1HD   ARG  10          1HD       ARG  10  -4.025  -7.337  -6.231
   75   2HD   ARG  10          2HD       ARG  10  -5.364  -7.505  -7.362
   76    HE   ARG  10           HE       ARG  10  -3.030  -7.041  -8.828
   77   1HH1  ARG  10          1HH1      ARG  10  -4.471  -9.501  -6.793
   78   2HH1  ARG  10          2HH1      ARG  10  -3.621 -10.808  -7.570
   79   1HH2  ARG  10          1HH2      ARG  10  -1.915  -8.763  -9.848
   80   2HH2  ARG  10          2HH2      ARG  10  -2.201 -10.394  -9.305
   81    HA   PRO  11           HA       PRO  11   0.073  -0.978  -6.905
   82   1HB   PRO  11          1HB       PRO  11   1.306  -0.916  -4.514
   83   2HB   PRO  11          2HB       PRO  11  -0.137   0.051  -4.830
   84   1HG   PRO  11          1HG       PRO  11   0.150  -2.515  -3.346
   85   2HG   PRO  11          2HG       PRO  11  -0.895  -1.122  -2.993
   86   1HD   PRO  11          1HD       PRO  11  -1.748  -3.449  -4.247
   87   2HD   PRO  11          2HD       PRO  11  -2.571  -1.877  -4.348
   88    H    GLN  12           H        GLN  12   2.274  -1.530  -7.302
   89    HA   GLN  12           HA       GLN  12   2.622  -4.436  -7.271
   90   1HB   GLN  12          1HB       GLN  12   3.256  -2.342  -9.317
   91   2HB   GLN  12          2HB       GLN  12   3.897  -3.984  -9.417
   92   1HG   GLN  12          1HG       GLN  12   0.983  -3.214  -9.351
   93   2HG   GLN  12          2HG       GLN  12   1.878  -3.739 -10.777
   94   1HE2  GLN  12          1HE2      GLN  12   0.692  -4.744  -7.604
   95   2HE2  GLN  12          2HE2      GLN  12   0.645  -6.435  -7.976
   96    H    ASP  13           H        ASP  13   5.071  -4.895  -7.953
   97    HA   ASP  13           HA       ASP  13   6.535  -4.316  -5.695
   98   1HB   ASP  13          1HB       ASP  13   7.492  -5.467  -8.319
   99   2HB   ASP  13          2HB       ASP  13   8.101  -5.783  -6.714
  100    H    GLY  14           H        GLY  14   8.935  -4.344  -7.326
  101   1HA   GLY  14          1HA       GLY  14   9.679  -2.346  -8.862
  102   2HA   GLY  14          2HA       GLY  14   9.351  -1.462  -7.387
  103    H    GLU  15           H        GLU  15  11.685  -2.493  -9.082
  104    HA   GLU  15           HA       GLU  15  13.349  -3.374  -6.825
  105   1HB   GLU  15          1HB       GLU  15  13.941  -3.775  -9.764
  106   2HB   GLU  15          2HB       GLU  15  14.793  -4.482  -8.400
  107   1HG   GLU  15          1HG       GLU  15  13.530  -6.272  -8.906
  108   2HG   GLU  15          2HG       GLU  15  12.333  -5.430  -7.923
  109    H    VAL  16           H        VAL  16  14.726  -1.816  -6.112
  110    HA   VAL  16           HA       VAL  16  15.377   0.333  -7.885
  111    HB   VAL  16           HB       VAL  16  14.663   1.959  -6.365
  112   1HG1  VAL  16          1HG1      VAL  16  12.836   1.094  -7.673
  113   2HG1  VAL  16          2HG1      VAL  16  12.264   1.582  -6.078
  114   3HG1  VAL  16          3HG1      VAL  16  12.507  -0.127  -6.443
  115   1HG2  VAL  16          1HG2      VAL  16  13.715   1.461  -4.131
  116   2HG2  VAL  16          2HG2      VAL  16  15.414   1.018  -4.295
  117   3HG2  VAL  16          3HG2      VAL  16  14.167  -0.227  -4.367
  118    H    THR  17           H        THR  17  16.985   1.625  -6.816
  119    HA   THR  17           HA       THR  17  18.956  -0.068  -5.494
  120    HB   THR  17           HB       THR  17  19.555   2.732  -6.323
  121    HG1  THR  17           HG1      THR  17  18.725   0.705  -8.016
  122   1HG2  THR  17          1HG2      THR  17  21.122   0.161  -6.469
  123   2HG2  THR  17          2HG2      THR  17  21.297   1.422  -5.250
  124   3HG2  THR  17          3HG2      THR  17  21.726   1.751  -6.929
  125    H    VAL  18           H        VAL  18  20.073   0.784  -3.637
  126    HA   VAL  18           HA       VAL  18  18.451   2.081  -1.743
  127    HB   VAL  18           HB       VAL  18  21.414   1.882  -1.559
  128   1HG1  VAL  18          1HG1      VAL  18  21.023   1.909   0.849
  129   2HG1  VAL  18          2HG1      VAL  18  19.287   2.019   0.551
  130   3HG1  VAL  18          3HG1      VAL  18  20.352   3.338   0.061
  131   1HG2  VAL  18          1HG2      VAL  18  20.515  -0.347  -2.037
  132   2HG2  VAL  18          2HG2      VAL  18  19.420  -0.178  -0.664
  133   3HG2  VAL  18          3HG2      VAL  18  21.162  -0.240  -0.400
  134    H    GLY  19           H        GLY  19  17.943   3.890  -2.109
  135   1HA   GLY  19          1HA       GLY  19  18.628   6.188  -1.442
  136   2HA   GLY  19          2HA       GLY  19  19.921   6.008  -2.611
  137    H    GLY  20           H        GLY  20  17.152   4.578  -3.972
  138   1HA   GLY  20          1HA       GLY  20  16.703   7.033  -5.469
  139   2HA   GLY  20          2HA       GLY  20  16.202   5.430  -5.923
  140    H    SER  21           H        SER  21  14.271   5.283  -5.938
  141    HA   SER  21           HA       SER  21  12.629   5.916  -3.731
  142   1HB   SER  21          1HB       SER  21  11.025   7.014  -5.332
  143   2HB   SER  21          2HB       SER  21  12.417   7.929  -4.838
  144    HG   SER  21           HG       SER  21  11.842   6.774  -7.319
  145    H    ILE  22           H        ILE  22  10.529   5.124  -4.024
  146    HA   ILE  22           HA       ILE  22   9.911   3.400  -6.184
  147    HB   ILE  22           HB       ILE  22  10.896   1.921  -4.520
  148   1HG1  ILE  22          1HG1      ILE  22   9.048   0.316  -4.451
  149   2HG1  ILE  22          2HG1      ILE  22   7.952   1.585  -4.963
  150   1HG2  ILE  22          1HG2      ILE  22  10.321   3.094  -2.476
  151   2HG2  ILE  22          2HG2      ILE  22   9.728   1.436  -2.429
  152   3HG2  ILE  22          3HG2      ILE  22   8.612   2.758  -2.763
  153   1HD1  ILE  22          1HD1      ILE  22  10.285   0.526  -6.542
  154   2HD1  ILE  22          2HD1      ILE  22   9.181   1.802  -7.058
  155   3HD1  ILE  22          3HD1      ILE  22   8.585   0.159  -6.823
  156    H    THR  23           H        THR  23   7.805   3.081  -6.301
  157    HA   THR  23           HA       THR  23   6.002   4.702  -4.701
  158    HB   THR  23           HB       THR  23   5.976   5.092  -7.677
  159    HG1  THR  23           HG1      THR  23   7.549   6.239  -5.745
  160   1HG2  THR  23          1HG2      THR  23   4.499   6.979  -7.144
  161   2HG2  THR  23          2HG2      THR  23   4.640   6.608  -5.426
  162   3HG2  THR  23          3HG2      THR  23   3.837   5.474  -6.508
  163    H    PHE  24           H        PHE  24   4.275   3.640  -4.322
  164    HA   PHE  24           HA       PHE  24   3.096   2.002  -6.420
  165   1HB   PHE  24          1HB       PHE  24   2.487   0.840  -3.856
  166   2HB   PHE  24          2HB       PHE  24   3.125   0.104  -5.297
  167    HD1  PHE  24           HD1      PHE  24   5.118  -1.035  -5.088
  168    HD2  PHE  24           HD2      PHE  24   4.354   2.304  -2.571
  169    HE1  PHE  24           HE1      PHE  24   7.279  -1.379  -3.968
  170    HE2  PHE  24           HE2      PHE  24   6.507   1.963  -1.449
  171    HZ   PHE  24           HZ       PHE  24   7.938  -0.033  -2.133
  172    H    SER  25           H        SER  25   0.890   1.913  -6.356
  173    HA   SER  25           HA       SER  25  -0.480   3.714  -4.545
  174   1HB   SER  25          1HB       SER  25  -1.387   3.584  -7.356
  175   2HB   SER  25          2HB       SER  25  -1.428   4.926  -6.229
  176    HG   SER  25           HG       SER  25   0.953   4.930  -6.489
  177    H    ALA  26           H        ALA  26  -2.140   2.828  -3.715
  178    HA   ALA  26           HA       ALA  26  -3.340   0.400  -4.874
  179   1HB   ALA  26          1HB       ALA  26  -3.583  -0.526  -2.739
  180   2HB   ALA  26          2HB       ALA  26  -3.418   1.040  -1.946
  181   3HB   ALA  26          3HB       ALA  26  -2.011   0.279  -2.643
  182    H    ARG  27           H        ARG  27  -5.374   0.738  -5.617
  183    HA   ARG  27           HA       ARG  27  -6.857   3.009  -4.493
  184   1HB   ARG  27          1HB       ARG  27  -7.338   1.496  -7.063
  185   2HB   ARG  27          2HB       ARG  27  -8.166   2.956  -6.547
  186   1HG   ARG  27          1HG       ARG  27  -6.029   4.173  -6.627
  187   2HG   ARG  27          2HG       ARG  27  -5.248   2.710  -7.231
  188   1HD   ARG  27          1HD       ARG  27  -5.720   4.026  -9.127
  189   2HD   ARG  27          2HD       ARG  27  -6.927   2.733  -9.104
  190    HE   ARG  27           HE       ARG  27  -8.526   4.359  -8.259
  191   1HH1  ARG  27          1HH1      ARG  27  -5.561   5.641  -9.621
  192   2HH1  ARG  27          2HH1      ARG  27  -6.212   7.234  -9.859
  193   1HH2  ARG  27          1HH2      ARG  27  -9.380   6.460  -8.561
  194   2HH2  ARG  27          2HH2      ARG  27  -8.372   7.704  -9.225
  195    H    VAL  28           H        VAL  28  -8.713   2.716  -3.409
  196    HA   VAL  28           HA       VAL  28  -9.857   0.032  -3.323
  197    HB   VAL  28           HB       VAL  28  -9.672   1.819  -0.908
  198   1HG1  VAL  28          1HG1      VAL  28 -10.358  -0.114   0.312
  199   2HG1  VAL  28          2HG1      VAL  28 -10.155  -1.152  -1.097
  200   3HG1  VAL  28          3HG1      VAL  28 -11.453   0.044  -1.066
  201   1HG2  VAL  28          1HG2      VAL  28  -7.820  -0.416  -1.717
  202   2HG2  VAL  28          2HG2      VAL  28  -7.842   0.358  -0.133
  203   3HG2  VAL  28          3HG2      VAL  28  -7.414   1.294  -1.568
  204    H    ALA  29           H        ALA  29 -11.833   0.032  -3.680
  205    HA   ALA  29           HA       ALA  29 -13.452   2.147  -4.364
  206   1HB   ALA  29          1HB       ALA  29 -15.286   0.529  -4.300
  207   2HB   ALA  29          2HB       ALA  29 -14.238  -0.614  -3.456
  208   3HB   ALA  29          3HB       ALA  29 -13.862  -0.125  -5.109
  209    H    GLY  30           H        GLY  30 -14.003   3.691  -3.084
  210   1HA   GLY  30          1HA       GLY  30 -14.571   3.728  -0.363
  211   2HA   GLY  30          2HA       GLY  30 -15.350   4.774  -1.556
  212    H    ALA  31           H        ALA  31 -16.629   2.924  -3.088
  213    HA   ALA  31           HA       ALA  31 -18.268   1.395  -3.341
  214   1HB   ALA  31          1HB       ALA  31 -17.257   0.398  -0.703
  215   2HB   ALA  31          2HB       ALA  31 -16.546   0.035  -2.276
  216   3HB   ALA  31          3HB       ALA  31 -18.177  -0.525  -1.898
  217    H    SER  32           H        SER  32 -20.099   0.184  -2.131
  218    HA   SER  32           HA       SER  32 -21.471   1.939  -0.230
  219   1HB   SER  32          1HB       SER  32 -23.318   0.091  -0.725
  220   2HB   SER  32          2HB       SER  32 -23.046   1.417  -1.853
  221    HG   SER  32           HG       SER  32 -22.620  -1.277  -2.173
  222    H    LEU  33           H        LEU  33 -21.216   1.420   1.859
  223    HA   LEU  33           HA       LEU  33 -20.643  -1.260   2.660
  224   1HB   LEU  33          1HB       LEU  33 -18.458  -0.875   3.400
  225   2HB   LEU  33          2HB       LEU  33 -18.532  -0.365   1.744
  226    HG   LEU  33           HG       LEU  33 -18.058   1.248   4.214
  227   1HD1  LEU  33          1HD1      LEU  33 -16.321   2.215   2.789
  228   2HD1  LEU  33          2HD1      LEU  33 -16.845   1.161   1.475
  229   3HD1  LEU  33          3HD1      LEU  33 -16.185   0.464   2.952
  230   1HD2  LEU  33          1HD2      LEU  33 -19.136   2.392   1.642
  231   2HD2  LEU  33          2HD2      LEU  33 -18.377   3.328   2.928
  232   3HD2  LEU  33          3HD2      LEU  33 -19.890   2.479   3.236
  233    H    LEU  34           H        LEU  34 -20.207  -1.399   5.028
  234    HA   LEU  34           HA       LEU  34 -22.150   0.169   6.451
  235   1HB   LEU  34          1HB       LEU  34 -21.701  -2.253   6.880
  236   2HB   LEU  34          2HB       LEU  34 -20.147  -1.790   7.557
  237    HG   LEU  34           HG       LEU  34 -21.463  -0.312   9.153
  238   1HD1  LEU  34          1HD1      LEU  34 -23.575  -0.322   7.960
  239   2HD1  LEU  34          2HD1      LEU  34 -23.770  -0.957   9.593
  240   3HD1  LEU  34          3HD1      LEU  34 -23.726  -2.061   8.218
  241   1HD2  LEU  34          1HD2      LEU  34 -21.926  -2.192  10.681
  242   2HD2  LEU  34          2HD2      LEU  34 -20.362  -2.351   9.881
  243   3HD2  LEU  34          3HD2      LEU  34 -21.735  -3.311   9.332
  244    H    LYS  35           H        LYS  35 -18.791  -0.509   7.334
  245    HA   LYS  35           HA       LYS  35 -18.456   2.351   7.881
  246   1HB   LYS  35          1HB       LYS  35 -16.393   1.555   9.189
  247   2HB   LYS  35          2HB       LYS  35 -17.970   1.265   9.897
  248   1HG   LYS  35          1HG       LYS  35 -16.619  -0.665  10.264
  249   2HG   LYS  35          2HG       LYS  35 -17.849  -1.080   9.073
  250   1HD   LYS  35          1HD       LYS  35 -16.332  -1.284   7.373
  251   2HD   LYS  35          2HD       LYS  35 -15.211  -0.123   8.084
  252   1HE   LYS  35          1HE       LYS  35 -14.371  -2.460   8.090
  253   2HE   LYS  35          2HE       LYS  35 -14.463  -1.742   9.694
  254   1HZ   LYS  35          1HZ       LYS  35 -15.273  -4.050   9.598
  255   2HZ   LYS  35          2HZ       LYS  35 -16.522  -3.562   8.559
  256   3HZ   LYS  35          3HZ       LYS  35 -16.454  -2.961  10.138
  257    HA   PRO  36           HA       PRO  36 -15.719   2.954   4.470
  258   1HB   PRO  36          1HB       PRO  36 -13.801   3.999   6.519
  259   2HB   PRO  36          2HB       PRO  36 -14.308   4.718   4.984
  260   1HG   PRO  36          1HG       PRO  36 -15.305   5.619   7.264
  261   2HG   PRO  36          2HG       PRO  36 -16.350   5.428   5.845
  262   1HD   PRO  36          1HD       PRO  36 -16.135   3.725   8.287
  263   2HD   PRO  36          2HD       PRO  36 -17.567   4.130   7.322
  264    HA   PRO  37           HA       PRO  37 -13.201  -0.600   4.407
  265   1HB   PRO  37          1HB       PRO  37 -11.270   0.485   2.609
  266   2HB   PRO  37          2HB       PRO  37 -12.563  -0.653   2.270
  267   1HG   PRO  37          1HG       PRO  37 -12.469   1.979   1.364
  268   2HG   PRO  37          2HG       PRO  37 -13.916   0.953   1.408
  269   1HD   PRO  37          1HD       PRO  37 -13.141   3.181   3.165
  270   2HD   PRO  37          2HD       PRO  37 -14.744   2.499   2.823
  271    H    VAL  38           H        VAL  38 -11.651  -1.364   5.586
  272    HA   VAL  38           HA       VAL  38  -9.677   0.451   6.710
  273    HB   VAL  38           HB       VAL  38  -9.895  -2.352   7.591
  274   1HG1  VAL  38          1HG1      VAL  38  -9.216  -1.384   9.758
  275   2HG1  VAL  38          2HG1      VAL  38  -9.220   0.209   9.001
  276   3HG1  VAL  38          3HG1      VAL  38  -8.093  -1.026   8.445
  277   1HG2  VAL  38          1HG2      VAL  38 -11.766  -0.209   8.564
  278   2HG2  VAL  38          2HG2      VAL  38 -11.591  -1.812   9.280
  279   3HG2  VAL  38          3HG2      VAL  38 -12.217  -1.639   7.640
  280    H    VAL  39           H        VAL  39  -8.188   0.470   5.380
  281    HA   VAL  39           HA       VAL  39  -7.106  -1.959   4.235
  282    HB   VAL  39           HB       VAL  39  -6.213   0.736   3.356
  283   1HG1  VAL  39          1HG1      VAL  39  -5.960  -0.441   1.190
  284   2HG1  VAL  39          2HG1      VAL  39  -6.492  -1.920   1.992
  285   3HG1  VAL  39          3HG1      VAL  39  -5.003  -1.124   2.505
  286   1HG2  VAL  39          1HG2      VAL  39  -7.962   0.975   1.733
  287   2HG2  VAL  39          2HG2      VAL  39  -8.696   0.824   3.329
  288   3HG2  VAL  39          3HG2      VAL  39  -8.685  -0.554   2.227
  289    H    LYS  40           H        LYS  40  -5.556  -2.584   5.380
  290    HA   LYS  40           HA       LYS  40  -3.772  -0.739   6.676
  291   1HB   LYS  40          1HB       LYS  40  -2.976  -2.828   7.886
  292   2HB   LYS  40          2HB       LYS  40  -4.543  -2.192   8.323
  293   1HG   LYS  40          1HG       LYS  40  -5.131  -4.368   8.141
  294   2HG   LYS  40          2HG       LYS  40  -5.279  -3.945   6.440
  295   1HD   LYS  40          1HD       LYS  40  -4.005  -5.868   6.310
  296   2HD   LYS  40          2HD       LYS  40  -2.744  -4.628   6.339
  297   1HE   LYS  40          1HE       LYS  40  -2.208  -5.063   8.567
  298   2HE   LYS  40          2HE       LYS  40  -3.735  -5.892   8.876
  299   1HZ   LYS  40          1HZ       LYS  40  -1.571  -6.906   7.123
  300   2HZ   LYS  40          2HZ       LYS  40  -3.009  -7.714   7.497
  301   3HZ   LYS  40          3HZ       LYS  40  -1.858  -7.429   8.707
  302    H    TRP  41           H        TRP  41  -2.098  -0.361   5.880
  303    HA   TRP  41           HA       TRP  41  -0.865  -1.977   3.846
  304   1HB   TRP  41          1HB       TRP  41  -0.155   0.650   5.120
  305   2HB   TRP  41          2HB       TRP  41   0.869  -0.151   3.934
  306    HD1  TRP  41           HD1      TRP  41  -2.593   1.502   4.249
  307    HE1  TRP  41           HE1      TRP  41  -3.242   2.330   1.870
  308    HE3  TRP  41           HE3      TRP  41   1.162  -0.647   1.533
  309    HZ2  TRP  41           HZ2      TRP  41  -2.340   1.996  -0.790
  310    HZ3  TRP  41           HZ3      TRP  41   1.179  -0.369  -0.906
  311    HH2  TRP  41           HH2      TRP  41  -0.558   0.929  -2.031
  312    H    PHE  42           H        PHE  42   1.117  -2.786   3.948
  313    HA   PHE  42           HA       PHE  42   2.568  -2.852   6.483
  314   1HB   PHE  42          1HB       PHE  42   1.201  -5.033   6.103
  315   2HB   PHE  42          2HB       PHE  42   2.283  -5.316   4.746
  316    HD1  PHE  42           HD1      PHE  42   4.466  -6.158   5.064
  317    HD2  PHE  42           HD2      PHE  42   2.129  -4.937   8.411
  318    HE1  PHE  42           HE1      PHE  42   6.108  -7.184   6.578
  319    HE2  PHE  42           HE2      PHE  42   3.774  -5.969   9.935
  320    HZ   PHE  42           HZ       PHE  42   5.732  -7.133   9.011
  321    H    LYS  43           H        LYS  43   4.743  -2.718   6.081
  322    HA   LYS  43           HA       LYS  43   5.233  -1.953   3.298
  323   1HB   LYS  43          1HB       LYS  43   5.492  -0.099   4.881
  324   2HB   LYS  43          2HB       LYS  43   6.609  -1.050   5.861
  325   1HG   LYS  43          1HG       LYS  43   8.185  -1.093   3.995
  326   2HG   LYS  43          2HG       LYS  43   7.058  -0.139   3.032
  327   1HD   LYS  43          1HD       LYS  43   7.294   1.718   4.575
  328   2HD   LYS  43          2HD       LYS  43   8.341   0.729   5.619
  329   1HE   LYS  43          1HE       LYS  43  10.014   0.598   3.999
  330   2HE   LYS  43          2HE       LYS  43   8.961   1.214   2.724
  331   1HZ   LYS  43          1HZ       LYS  43  10.529   2.882   3.481
  332   2HZ   LYS  43          2HZ       LYS  43   9.932   2.757   5.060
  333   3HZ   LYS  43          3HZ       LYS  43   8.940   3.352   3.824
  334    H    GLY  44           H        GLY  44   7.601  -2.435   2.739
  335   1HA   GLY  44          1HA       GLY  44   8.871  -4.463   2.274
  336   2HA   GLY  44          2HA       GLY  44   9.738  -3.377   3.298
  337    H    LYS  45           H        LYS  45  10.997  -5.241   3.741
  338    HA   LYS  45           HA       LYS  45  10.343  -7.794   4.133
  339   1HB   LYS  45          1HB       LYS  45  12.430  -6.033   5.300
  340   2HB   LYS  45          2HB       LYS  45  12.354  -7.704   5.857
  341   1HG   LYS  45          1HG       LYS  45  12.674  -8.453   3.555
  342   2HG   LYS  45          2HG       LYS  45  12.701  -6.762   3.031
  343   1HD   LYS  45          1HD       LYS  45  14.961  -7.859   3.333
  344   2HD   LYS  45          2HD       LYS  45  14.720  -6.327   4.172
  345   1HE   LYS  45          1HE       LYS  45  15.841  -7.857   5.647
  346   2HE   LYS  45          2HE       LYS  45  14.200  -7.606   6.233
  347   1HZ   LYS  45          1HZ       LYS  45  13.551  -9.720   5.323
  348   2HZ   LYS  45          2HZ       LYS  45  14.911  -9.937   6.309
  349   3HZ   LYS  45          3HZ       LYS  45  15.083  -9.941   4.624
  350    H    TRP  46           H        TRP  46   9.644  -5.370   6.611
  351    HA   TRP  46           HA       TRP  46   8.332  -7.379   8.192
  352   1HB   TRP  46          1HB       TRP  46   9.647  -6.577  10.221
  353   2HB   TRP  46          2HB       TRP  46  10.383  -7.774   9.175
  354    HD1  TRP  46           HD1      TRP  46  12.155  -6.582   7.276
  355    HE1  TRP  46           HE1      TRP  46  13.875  -4.721   7.694
  356    HE3  TRP  46           HE3      TRP  46  10.260  -4.696  11.636
  357    HZ2  TRP  46           HZ2      TRP  46  14.379  -2.721   9.634
  358    HZ3  TRP  46           HZ3      TRP  46  11.421  -2.810  12.705
  359    HH2  TRP  46           HH2      TRP  46  13.435  -1.846  11.722
  360    H    VAL  47           H        VAL  47   8.367  -4.249   7.157
  361    HA   VAL  47           HA       VAL  47   7.975  -3.037   9.648
  362    HB   VAL  47           HB       VAL  47   8.318  -1.008   8.372
  363   1HG1  VAL  47          1HG1      VAL  47  10.704  -1.229   8.021
  364   2HG1  VAL  47          2HG1      VAL  47  10.531  -2.987   8.077
  365   3HG1  VAL  47          3HG1      VAL  47  10.204  -2.018   9.524
  366   1HG2  VAL  47          1HG2      VAL  47   9.135  -2.746   6.135
  367   2HG2  VAL  47          2HG2      VAL  47   9.233  -0.982   6.230
  368   3HG2  VAL  47          3HG2      VAL  47   7.658  -1.779   6.202
  369    H    ASP  48           H        ASP  48   6.733  -1.177   9.492
  370    HA   ASP  48           HA       ASP  48   4.024  -1.587   8.669
  371   1HB   ASP  48          1HB       ASP  48   3.883   0.452  10.255
  372   2HB   ASP  48          2HB       ASP  48   4.063  -1.141  10.981
  373    H    LEU  49           H        LEU  49   2.995   0.202   7.671
  374    HA   LEU  49           HA       LEU  49   4.700   2.417   6.913
  375   1HB   LEU  49          1HB       LEU  49   1.934   1.599   6.094
  376   2HB   LEU  49          2HB       LEU  49   2.553   3.206   5.755
  377    HG   LEU  49           HG       LEU  49   4.560   1.750   4.770
  378   1HD1  LEU  49          1HD1      LEU  49   2.096   0.135   4.149
  379   2HD1  LEU  49          2HD1      LEU  49   3.399  -0.389   5.221
  380   3HD1  LEU  49          3HD1      LEU  49   3.723  -0.105   3.509
  381   1HD2  LEU  49          1HD2      LEU  49   3.310   3.533   3.693
  382   2HD2  LEU  49          2HD2      LEU  49   2.006   2.383   3.347
  383   3HD2  LEU  49          3HD2      LEU  49   3.597   2.165   2.619
  384    H    SER  50           H        SER  50   2.288   1.660   9.210
  385    HA   SER  50           HA       SER  50   0.918   4.071   9.261
  386   1HB   SER  50          1HB       SER  50   0.170   1.833  10.211
  387   2HB   SER  50          2HB       SER  50   1.236   2.152  11.575
  388    HG   SER  50           HG       SER  50  -0.597   2.999  12.285
  389    H    SER  51           H        SER  51   3.949   3.056  10.529
  390    HA   SER  51           HA       SER  51   3.932   5.329  12.243
  391   1HB   SER  51          1HB       SER  51   5.659   2.900  12.231
  392   2HB   SER  51          2HB       SER  51   6.034   4.305  13.205
  393    HG   SER  51           HG       SER  51   4.759   2.547  14.205
  394    H    LYS  52           H        LYS  52   5.257   4.145   9.471
  395    HA   LYS  52           HA       LYS  52   7.761   5.524   9.466
  396   1HB   LYS  52          1HB       LYS  52   6.450   3.640   7.670
  397   2HB   LYS  52          2HB       LYS  52   8.143   4.161   7.628
  398   1HG   LYS  52          1HG       LYS  52   8.343   3.499  10.003
  399   2HG   LYS  52          2HG       LYS  52   6.708   2.809   9.863
  400   1HD   LYS  52          1HD       LYS  52   7.314   1.256   8.454
  401   2HD   LYS  52          2HD       LYS  52   8.626   2.276   7.816
  402   1HE   LYS  52          1HE       LYS  52   9.326   0.157   9.054
  403   2HE   LYS  52          2HE       LYS  52  10.092   1.677   9.545
  404   1HZ   LYS  52          1HZ       LYS  52   7.933   0.208  10.976
  405   2HZ   LYS  52          2HZ       LYS  52   8.346   1.807  11.335
  406   3HZ   LYS  52          3HZ       LYS  52   9.495   0.585  11.535
  407    H    VAL  53           H        VAL  53   4.774   5.520   7.950
  408    HA   VAL  53           HA       VAL  53   4.848   7.114   5.812
  409    HB   VAL  53           HB       VAL  53   2.831   6.564   7.952
  410   1HG1  VAL  53          1HG1      VAL  53   1.119   7.474   6.289
  411   2HG1  VAL  53          2HG1      VAL  53   2.468   8.314   5.510
  412   3HG1  VAL  53          3HG1      VAL  53   2.046   8.689   7.184
  413   1HG2  VAL  53          1HG2      VAL  53   3.119   5.780   5.077
  414   2HG2  VAL  53          2HG2      VAL  53   1.779   5.323   6.128
  415   3HG2  VAL  53          3HG2      VAL  53   3.415   4.776   6.496
  416    H    GLY  54           H        GLY  54   6.271   8.622   6.029
  417   1HA   GLY  54          1HA       GLY  54   5.275  11.133   7.110
  418   2HA   GLY  54          2HA       GLY  54   6.759  10.573   7.869
  419    H    GLN  55           H        GLN  55   8.695  10.728   6.749
  420    HA   GLN  55           HA       GLN  55   8.628  12.793   4.707
  421   1HB   GLN  55          1HB       GLN  55  10.167  13.025   6.575
  422   2HB   GLN  55          2HB       GLN  55  10.927  11.492   6.173
  423   1HG   GLN  55          1HG       GLN  55  11.344  12.668   3.865
  424   2HG   GLN  55          2HG       GLN  55  11.150  14.133   4.828
  425   1HE2  GLN  55          1HE2      GLN  55  13.296  14.730   4.568
  426   2HE2  GLN  55          2HE2      GLN  55  14.593  13.890   5.360
  427    H    HIS  56           H        HIS  56  10.127   9.587   5.037
  428    HA   HIS  56           HA       HIS  56  10.941   9.640   2.249
  429   1HB   HIS  56          1HB       HIS  56  12.099   7.545   2.770
  430   2HB   HIS  56          2HB       HIS  56  12.509   8.806   3.923
  431    HD1  HIS  56           HD1      HIS  56  10.660   5.585   3.608
  432    HD2  HIS  56           HD2      HIS  56  11.765   8.275   6.566
  433    HE1  HIS  56           HE1      HIS  56  10.027   4.481   5.782
  434    HE2  HIS  56           HE2      HIS  56  10.636   6.166   7.570
  435    H    LEU  57           H        LEU  57   8.706   7.964   4.263
  436    HA   LEU  57           HA       LEU  57   7.423   6.749   1.917
  437   1HB   LEU  57          1HB       LEU  57   8.271   5.016   3.384
  438   2HB   LEU  57          2HB       LEU  57   7.685   5.825   4.801
  439    HG   LEU  57           HG       LEU  57   6.533   3.680   3.347
  440   1HD1  LEU  57          1HD1      LEU  57   5.001   3.637   5.210
  441   2HD1  LEU  57          2HD1      LEU  57   5.571   5.230   5.711
  442   3HD1  LEU  57          3HD1      LEU  57   6.677   3.856   5.713
  443   1HD2  LEU  57          1HD2      LEU  57   5.288   5.285   1.977
  444   2HD2  LEU  57          2HD2      LEU  57   4.684   6.066   3.437
  445   3HD2  LEU  57          3HD2      LEU  57   4.221   4.405   3.069
  446    H    GLN  58           H        GLN  58   5.942   8.379   1.546
  447    HA   GLN  58           HA       GLN  58   4.113   9.007   3.685
  448   1HB   GLN  58          1HB       GLN  58   4.038   9.957   0.820
  449   2HB   GLN  58          2HB       GLN  58   3.187  10.638   2.194
  450   1HG   GLN  58          1HG       GLN  58   4.838  12.135   2.033
  451   2HG   GLN  58          2HG       GLN  58   5.670  10.990   3.057
  452   1HE2  GLN  58          1HE2      GLN  58   7.344   9.798   2.197
  453   2HE2  GLN  58          2HE2      GLN  58   8.066  10.164   0.671
  454    H    LEU  59           H        LEU  59   2.658   7.548   3.897
  455    HA   LEU  59           HA       LEU  59   1.491   6.137   1.639
  456   1HB   LEU  59          1HB       LEU  59   2.104   4.987   3.904
  457   2HB   LEU  59          2HB       LEU  59   0.762   5.867   4.581
  458    HG   LEU  59           HG       LEU  59   0.686   3.595   2.610
  459   1HD1  LEU  59          1HD1      LEU  59   0.818   2.758   4.718
  460   2HD1  LEU  59          2HD1      LEU  59  -0.938   2.929   4.541
  461   3HD1  LEU  59          3HD1      LEU  59  -0.017   4.149   5.440
  462   1HD2  LEU  59          1HD2      LEU  59  -1.578   5.415   3.408
  463   2HD2  LEU  59          2HD2      LEU  59  -1.739   3.889   2.534
  464   3HD2  LEU  59          3HD2      LEU  59  -0.880   5.248   1.793
  465    H    HIS  60           H        HIS  60   0.436   7.762   0.662
  466    HA   HIS  60           HA       HIS  60  -1.191   9.593   2.086
  467   1HB   HIS  60          1HB       HIS  60  -0.430   9.330  -0.795
  468   2HB   HIS  60          2HB       HIS  60  -1.695  10.409  -0.275
  469    HD1  HIS  60           HD1      HIS  60   0.491  11.776  -1.641
  470    HD2  HIS  60           HD2      HIS  60   0.656  10.958   2.432
  471    HE1  HIS  60           HE1      HIS  60   2.148  13.412  -0.686
  472    HE2  HIS  60           HE2      HIS  60   2.128  12.991   1.801
  473    H    ASP  61           H        ASP  61  -3.178  10.005   1.299
  474    HA   ASP  61           HA       ASP  61  -4.682   7.813   0.249
  475   1HB   ASP  61          1HB       ASP  61  -6.475   8.232   1.808
  476   2HB   ASP  61          2HB       ASP  61  -5.039   7.679   2.626
  477    H    SER  62           H        SER  62  -5.537   8.438  -1.365
  478    HA   SER  62           HA       SER  62  -6.456  11.176  -1.783
  479   1HB   SER  62          1HB       SER  62  -6.574   9.097  -3.914
  480   2HB   SER  62          2HB       SER  62  -6.340  10.834  -4.073
  481    HG   SER  62           HG       SER  62  -4.444   8.950  -3.097
  482    H    TYR  63           H        TYR  63  -8.582  11.516  -2.512
  483    HA   TYR  63           HA       TYR  63 -10.425   9.360  -2.014
  484   1HB   TYR  63          1HB       TYR  63 -10.379  10.093   0.115
  485   2HB   TYR  63          2HB       TYR  63 -10.076  11.767  -0.301
  486    HD1  TYR  63           HD1      TYR  63 -11.837  13.297  -0.130
  487    HD2  TYR  63           HD2      TYR  63 -12.733   9.149  -0.418
  488    HE1  TYR  63           HE1      TYR  63 -14.221  13.790   0.214
  489    HE2  TYR  63           HE2      TYR  63 -15.115   9.632  -0.066
  490    HH   TYR  63           HH       TYR  63 -16.542  11.312   0.836
  491    H    ASP  64           H        ASP  64 -11.045   9.375  -4.034
  492    HA   ASP  64           HA       ASP  64 -12.568  11.710  -4.865
  493   1HB   ASP  64          1HB       ASP  64 -12.461  10.415  -7.104
  494   2HB   ASP  64          2HB       ASP  64 -11.155  11.440  -6.585
  495    H    ARG  65           H        ARG  65 -14.464  11.463  -4.150
  496    HA   ARG  65           HA       ARG  65 -15.710   8.900  -3.825
  497   1HB   ARG  65          1HB       ARG  65 -15.998  11.408  -2.652
  498   2HB   ARG  65          2HB       ARG  65 -17.511  11.141  -3.519
  499   1HG   ARG  65          1HG       ARG  65 -16.238   9.265  -1.561
  500   2HG   ARG  65          2HG       ARG  65 -17.639  10.299  -1.252
  501   1HD   ARG  65          1HD       ARG  65 -17.801   8.572  -3.631
  502   2HD   ARG  65          2HD       ARG  65 -17.812   7.715  -2.077
  503    HE   ARG  65           HE       ARG  65 -19.727   9.283  -1.506
  504   1HH1  ARG  65          1HH1      ARG  65 -19.007   8.444  -4.844
  505   2HH1  ARG  65          2HH1      ARG  65 -20.668   8.545  -5.353
  506   1HH2  ARG  65          1HH2      ARG  65 -21.903   9.395  -2.188
  507   2HH2  ARG  65          2HH2      ARG  65 -22.299   9.088  -3.851
  508    H    ALA  66           H        ALA  66 -15.865  11.517  -6.040
  509    HA   ALA  66           HA       ALA  66 -18.146  10.821  -7.501
  510   1HB   ALA  66          1HB       ALA  66 -17.219  12.173  -9.299
  511   2HB   ALA  66          2HB       ALA  66 -15.636  12.150  -8.521
  512   3HB   ALA  66          3HB       ALA  66 -16.987  12.979  -7.747
  513    H    SER  67           H        SER  67 -15.058   9.433  -7.249
  514    HA   SER  67           HA       SER  67 -15.559   7.676  -9.538
  515   1HB   SER  67          1HB       SER  67 -12.924   8.223  -8.156
  516   2HB   SER  67          2HB       SER  67 -13.162   7.265  -9.617
  517    HG   SER  67           HG       SER  67 -14.036   9.238 -10.562
  518    H    LYS  68           H        LYS  68 -15.487   7.968  -6.195
  519    HA   LYS  68           HA       LYS  68 -16.037   6.497  -4.533
  520   1HB   LYS  68          1HB       LYS  68 -17.603   5.661  -6.299
  521   2HB   LYS  68          2HB       LYS  68 -16.362   4.531  -6.802
  522   1HG   LYS  68          1HG       LYS  68 -17.689   3.201  -5.515
  523   2HG   LYS  68          2HG       LYS  68 -16.485   3.727  -4.344
  524   1HD   LYS  68          1HD       LYS  68 -19.050   5.247  -4.665
  525   2HD   LYS  68          2HD       LYS  68 -19.003   3.765  -3.701
  526   1HE   LYS  68          1HE       LYS  68 -17.047   4.843  -2.456
  527   2HE   LYS  68          2HE       LYS  68 -17.529   6.346  -3.247
  528   1HZ   LYS  68          1HZ       LYS  68 -19.717   6.141  -2.234
  529   2HZ   LYS  68          2HZ       LYS  68 -18.510   6.146  -1.045
  530   3HZ   LYS  68          3HZ       LYS  68 -19.260   4.687  -1.490
  531    H    VAL  69           H        VAL  69 -13.318   6.913  -5.443
  532    HA   VAL  69           HA       VAL  69 -12.137   4.378  -4.602
  533    HB   VAL  69           HB       VAL  69 -10.678   6.270  -6.405
  534   1HG1  VAL  69          1HG1      VAL  69  -9.376   4.617  -5.213
  535   2HG1  VAL  69          2HG1      VAL  69  -9.363   4.303  -6.948
  536   3HG1  VAL  69          3HG1      VAL  69 -10.374   3.327  -5.880
  537   1HG2  VAL  69          1HG2      VAL  69 -12.412   3.977  -7.322
  538   2HG2  VAL  69          2HG2      VAL  69 -11.290   4.880  -8.340
  539   3HG2  VAL  69          3HG2      VAL  69 -12.693   5.687  -7.639
  540    H    TYR  70           H        TYR  70 -10.863   4.543  -2.965
  541    HA   TYR  70           HA       TYR  70  -9.601   7.090  -2.313
  542   1HB   TYR  70          1HB       TYR  70  -9.540   4.624  -0.606
  543   2HB   TYR  70          2HB       TYR  70  -9.155   6.260  -0.136
  544    HD1  TYR  70           HD1      TYR  70 -10.980   4.418   1.369
  545    HD2  TYR  70           HD2      TYR  70 -11.770   7.302  -1.652
  546    HE1  TYR  70           HE1      TYR  70 -13.253   4.708   2.247
  547    HE2  TYR  70           HE2      TYR  70 -14.041   7.596  -0.786
  548    HH   TYR  70           HH       TYR  70 -15.013   6.498   2.245
  549    H    LEU  71           H        LEU  71  -7.717   7.212  -3.193
  550    HA   LEU  71           HA       LEU  71  -6.183   4.830  -3.802
  551   1HB   LEU  71          1HB       LEU  71  -6.203   6.224  -5.720
  552   2HB   LEU  71          2HB       LEU  71  -5.862   7.666  -4.767
  553    HG   LEU  71           HG       LEU  71  -3.638   6.657  -4.172
  554   1HD1  LEU  71          1HD1      LEU  71  -4.265   4.320  -4.653
  555   2HD1  LEU  71          2HD1      LEU  71  -2.770   4.822  -5.442
  556   3HD1  LEU  71          3HD1      LEU  71  -4.260   4.706  -6.376
  557   1HD2  LEU  71          1HD2      LEU  71  -4.082   7.076  -7.111
  558   2HD2  LEU  71          2HD2      LEU  71  -2.545   7.184  -6.243
  559   3HD2  LEU  71          3HD2      LEU  71  -3.833   8.347  -5.915
  560    H    PHE  72           H        PHE  72  -5.131   4.246  -2.136
  561    HA   PHE  72           HA       PHE  72  -3.649   6.116  -0.532
  562   1HB   PHE  72          1HB       PHE  72  -3.889   3.147  -0.537
  563   2HB   PHE  72          2HB       PHE  72  -2.882   4.010   0.607
  564    HD1  PHE  72           HD1      PHE  72  -6.280   3.126  -0.374
  565    HD2  PHE  72           HD2      PHE  72  -3.898   5.309   2.393
  566    HE1  PHE  72           HE1      PHE  72  -8.229   3.363   1.111
  567    HE2  PHE  72           HE2      PHE  72  -5.838   5.553   3.880
  568    HZ   PHE  72           HZ       PHE  72  -8.003   4.579   3.249
  569    H    GLU  73           H        GLU  73  -1.901   6.796  -1.266
  570    HA   GLU  73           HA       GLU  73  -0.351   5.264  -3.237
  571   1HB   GLU  73          1HB       GLU  73   0.577   7.899  -3.319
  572   2HB   GLU  73          2HB       GLU  73  -0.319   7.055  -4.557
  573   1HG   GLU  73          1HG       GLU  73  -2.361   8.006  -3.857
  574   2HG   GLU  73          2HG       GLU  73  -1.673   8.523  -2.315
  575    H    LEU  74           H        LEU  74   1.408   4.503  -2.473
  576    HA   LEU  74           HA       LEU  74   2.775   5.686  -0.267
  577   1HB   LEU  74          1HB       LEU  74   3.830   3.623  -2.175
  578   2HB   LEU  74          2HB       LEU  74   4.487   4.014  -0.604
  579    HG   LEU  74           HG       LEU  74   2.341   2.216  -1.362
  580   1HD1  LEU  74          1HD1      LEU  74   3.051   1.250   0.856
  581   2HD1  LEU  74          2HD1      LEU  74   4.291   2.517   0.851
  582   3HD1  LEU  74          3HD1      LEU  74   4.251   1.314  -0.436
  583   1HD2  LEU  74          1HD2      LEU  74   1.969   3.974   1.058
  584   2HD2  LEU  74          2HD2      LEU  74   1.052   2.504   0.719
  585   3HD2  LEU  74          3HD2      LEU  74   0.910   3.900  -0.356
  586    H    HIS  75           H        HIS  75   4.147   7.125  -0.452
  587    HA   HIS  75           HA       HIS  75   5.685   7.369  -2.947
  588   1HB   HIS  75          1HB       HIS  75   5.149   9.542  -0.883
  589   2HB   HIS  75          2HB       HIS  75   6.209   9.708  -2.275
  590    HD1  HIS  75           HD1      HIS  75   5.176  10.884  -4.173
  591    HD2  HIS  75           HD2      HIS  75   2.331   8.963  -1.813
  592    HE1  HIS  75           HE1      HIS  75   2.942  11.486  -5.166
  593    HE2  HIS  75           HE2      HIS  75   1.225  10.388  -3.669
  594    H    ILE  76           H        ILE  76   7.184   5.903  -2.381
  595    HA   ILE  76           HA       ILE  76   8.477   6.433   0.204
  596    HB   ILE  76           HB       ILE  76   8.194   3.787  -1.153
  597   1HG1  ILE  76          1HG1      ILE  76   6.794   4.979   1.241
  598   2HG1  ILE  76          2HG1      ILE  76   6.045   4.307  -0.240
  599   1HG2  ILE  76          1HG2      ILE  76  10.292   3.966   0.095
  600   2HG2  ILE  76          2HG2      ILE  76   9.173   2.847   0.882
  601   3HG2  ILE  76          3HG2      ILE  76   9.379   4.476   1.522
  602   1HD1  ILE  76          1HD1      ILE  76   6.853   2.075   0.404
  603   2HD1  ILE  76          2HD1      ILE  76   5.768   2.783   1.597
  604   3HD1  ILE  76          3HD1      ILE  76   7.505   2.755   1.896
  605    H    THR  77           H        THR  77  10.080   7.517  -0.360
  606    HA   THR  77           HA       THR  77  11.819   6.696  -2.475
  607    HB   THR  77           HB       THR  77  12.730   8.935  -2.455
  608    HG1  THR  77           HG1      THR  77  12.225   9.289  -0.136
  609   1HG2  THR  77          1HG2      THR  77  10.819  10.145  -3.319
  610   2HG2  THR  77          2HG2      THR  77   9.718   9.046  -2.490
  611   3HG2  THR  77          3HG2      THR  77  10.719   8.453  -3.816
  612    H    ASP  78           H        ASP  78  13.777   6.555  -2.118
  613    HA   ASP  78           HA       ASP  78  15.760   5.984  -1.189
  614   1HB   ASP  78          1HB       ASP  78  15.584   8.212  -0.202
  615   2HB   ASP  78          2HB       ASP  78  14.812   7.488   1.186
  616    H    ALA  79           H        ALA  79  15.064   4.058  -1.252
  617    HA   ALA  79           HA       ALA  79  13.882   2.648   0.942
  618   1HB   ALA  79          1HB       ALA  79  14.131   0.651  -0.447
  619   2HB   ALA  79          2HB       ALA  79  15.063   1.587  -1.617
  620   3HB   ALA  79          3HB       ALA  79  13.365   1.970  -1.336
  621    H    GLN  80           H        GLN  80  15.135   2.475   2.687
  622    HA   GLN  80           HA       GLN  80  17.819   1.933   2.936
  623   1HB   GLN  80          1HB       GLN  80  16.635   2.285   4.936
  624   2HB   GLN  80          2HB       GLN  80  15.381   1.131   4.509
  625   1HG   GLN  80          1HG       GLN  80  16.439  -0.128   6.026
  626   2HG   GLN  80          2HG       GLN  80  17.450  -0.530   4.637
  627   1HE2  GLN  80          1HE2      GLN  80  18.632   2.230   4.733
  628   2HE2  GLN  80          2HE2      GLN  80  19.792   2.164   6.016
  629    HA   PRO  81           HA       PRO  81  18.429  -1.936   0.835
  630   1HB   PRO  81          1HB       PRO  81  20.619  -2.834   2.200
  631   2HB   PRO  81          2HB       PRO  81  20.684  -1.556   0.978
  632   1HG   PRO  81          1HG       PRO  81  20.546  -1.305   3.968
  633   2HG   PRO  81          2HG       PRO  81  21.600  -0.450   2.822
  634   1HD   PRO  81          1HD       PRO  81  19.408   0.713   3.802
  635   2HD   PRO  81          2HD       PRO  81  19.895   0.959   2.113
  636    H    ALA  82           H        ALA  82  17.437  -1.680   4.013
  637    HA   ALA  82           HA       ALA  82  17.185  -4.591   4.282
  638   1HB   ALA  82          1HB       ALA  82  18.418  -3.579   6.106
  639   2HB   ALA  82          2HB       ALA  82  16.865  -4.181   6.689
  640   3HB   ALA  82          3HB       ALA  82  17.096  -2.455   6.408
  641    H    PHE  83           H        PHE  83  15.440  -2.369   2.875
  642    HA   PHE  83           HA       PHE  83  12.958  -2.787   4.335
  643   1HB   PHE  83          1HB       PHE  83  13.873  -0.982   2.179
  644   2HB   PHE  83          2HB       PHE  83  12.191  -1.462   2.152
  645    HD1  PHE  83           HD1      PHE  83  11.879  -1.651   5.191
  646    HD2  PHE  83           HD2      PHE  83  13.533   1.345   2.651
  647    HE1  PHE  83           HE1      PHE  83  11.344   0.067   6.870
  648    HE2  PHE  83           HE2      PHE  83  13.000   3.061   4.328
  649    HZ   PHE  83           HZ       PHE  83  11.952   2.466   6.414
  650    H    THR  84           H        THR  84  14.655  -3.972   1.563
  651    HA   THR  84           HA       THR  84  13.549  -4.792  -0.420
  652    HB   THR  84           HB       THR  84  14.171  -6.921   1.588
  653    HG1  THR  84           HG1      THR  84  16.233  -6.583   1.051
  654   1HG2  THR  84          1HG2      THR  84  12.957  -7.847  -0.322
  655   2HG2  THR  84          2HG2      THR  84  14.654  -8.324  -0.412
  656   3HG2  THR  84          3HG2      THR  84  14.043  -7.015  -1.435
  657    H    GLY  85           H        GLY  85  11.586  -4.129  -0.541
  658   1HA   GLY  85          1HA       GLY  85   9.615  -4.181   1.232
  659   2HA   GLY  85          2HA       GLY  85   9.373  -3.962  -0.481
  660    H    GLY  86           H        GLY  86   8.704  -5.627   2.079
  661   1HA   GLY  86          1HA       GLY  86   7.126  -7.379   0.346
  662   2HA   GLY  86          2HA       GLY  86   7.517  -7.790   2.013
  663    H    TYR  87           H        TYR  87   6.118  -5.274   0.096
  664    HA   TYR  87           HA       TYR  87   4.579  -4.135   2.216
  665   1HB   TYR  87          1HB       TYR  87   4.372  -3.813  -0.795
  666   2HB   TYR  87          2HB       TYR  87   3.523  -2.828   0.392
  667    HD1  TYR  87           HD1      TYR  87   6.921  -3.774  -0.768
  668    HD2  TYR  87           HD2      TYR  87   4.527  -0.953   1.319
  669    HE1  TYR  87           HE1      TYR  87   8.842  -2.246  -0.646
  670    HE2  TYR  87           HE2      TYR  87   6.434   0.583   1.441
  671    HH   TYR  87           HH       TYR  87   9.251   0.174  -0.382
  672    H    ARG  88           H        ARG  88   2.594  -4.851   2.909
  673    HA   ARG  88           HA       ARG  88   1.126  -6.647   1.101
  674   1HB   ARG  88          1HB       ARG  88   1.488  -6.772   4.093
  675   2HB   ARG  88          2HB       ARG  88   0.138  -7.566   3.294
  676   1HG   ARG  88          1HG       ARG  88   1.683  -8.918   1.993
  677   2HG   ARG  88          2HG       ARG  88   3.051  -8.098   2.755
  678   1HD   ARG  88          1HD       ARG  88   2.416 -10.345   3.731
  679   2HD   ARG  88          2HD       ARG  88   2.547  -9.007   4.872
  680    HE   ARG  88           HE       ARG  88  -0.105  -9.082   4.126
  681   1HH1  ARG  88          1HH1      ARG  88   2.142 -11.337   5.575
  682   2HH1  ARG  88          2HH1      ARG  88   0.931 -12.110   6.559
  683   1HH2  ARG  88          1HH2      ARG  88  -1.716 -10.071   5.418
  684   2HH2  ARG  88          2HH2      ARG  88  -1.265 -11.388   6.469
  685    H    CYS  89           H        CYS  89  -0.408  -5.330   0.297
  686    HA   CYS  89           HA       CYS  89  -1.802  -3.511   2.098
  687   1HB   CYS  89          1HB       CYS  89  -1.098  -3.149  -0.453
  688   2HB   CYS  89          2HB       CYS  89  -2.687  -3.858  -0.708
  689    HG   CYS  89           HG       CYS  89  -1.880  -0.911   0.775
  690    H    GLU  90           H        GLU  90  -3.580  -4.075   3.029
  691    HA   GLU  90           HA       GLU  90  -5.068  -6.408   2.067
  692   1HB   GLU  90          1HB       GLU  90  -3.197  -6.852   3.828
  693   2HB   GLU  90          2HB       GLU  90  -4.308  -6.101   4.952
  694   1HG   GLU  90          1HG       GLU  90  -5.933  -7.812   4.598
  695   2HG   GLU  90          2HG       GLU  90  -4.983  -8.506   3.283
  696    H    VAL  91           H        VAL  91  -7.026  -5.530   1.738
  697    HA   VAL  91           HA       VAL  91  -7.983  -3.537   3.665
  698    HB   VAL  91           HB       VAL  91  -7.989  -2.665   1.437
  699   1HG1  VAL  91          1HG1      VAL  91  -9.687  -5.031   0.681
  700   2HG1  VAL  91          2HG1      VAL  91  -8.031  -4.715   0.163
  701   3HG1  VAL  91          3HG1      VAL  91  -9.338  -3.654  -0.364
  702   1HG2  VAL  91          1HG2      VAL  91 -10.795  -3.322   2.325
  703   2HG2  VAL  91          2HG2      VAL  91 -10.364  -2.071   1.159
  704   3HG2  VAL  91          3HG2      VAL  91  -9.825  -1.938   2.831
  705    H    SER  92           H        SER  92  -9.892  -3.665   4.638
  706    HA   SER  92           HA       SER  92 -11.457  -6.118   4.342
  707   1HB   SER  92          1HB       SER  92  -9.724  -6.445   6.162
  708   2HB   SER  92          2HB       SER  92 -10.510  -5.135   7.043
  709    HG   SER  92           HG       SER  92 -11.789  -7.524   6.183
  710    H    THR  93           H        THR  93 -13.359  -5.371   3.870
  711    HA   THR  93           HA       THR  93 -14.448  -3.082   5.365
  712    HB   THR  93           HB       THR  93 -15.110  -3.551   2.500
  713    HG1  THR  93           HG1      THR  93 -12.726  -3.366   2.957
  714   1HG2  THR  93          1HG2      THR  93 -14.932  -1.082   4.214
  715   2HG2  THR  93          2HG2      THR  93 -16.418  -1.921   3.760
  716   3HG2  THR  93          3HG2      THR  93 -15.439  -1.124   2.528
  717    H    LYS  94           H        LYS  94 -16.937  -3.050   4.896
  718    HA   LYS  94           HA       LYS  94 -18.499  -4.481   6.177
  719   1HB   LYS  94          1HB       LYS  94 -19.999  -5.024   4.026
  720   2HB   LYS  94          2HB       LYS  94 -19.864  -3.440   4.748
  721   1HG   LYS  94          1HG       LYS  94 -19.710  -3.178   2.409
  722   2HG   LYS  94          2HG       LYS  94 -18.107  -2.898   3.067
  723   1HD   LYS  94          1HD       LYS  94 -17.966  -4.156   1.028
  724   2HD   LYS  94          2HD       LYS  94 -17.482  -5.175   2.381
  725   1HE   LYS  94          1HE       LYS  94 -18.940  -6.316   0.730
  726   2HE   LYS  94          2HE       LYS  94 -19.575  -6.310   2.377
  727   1HZ   LYS  94          1HZ       LYS  94 -21.262  -4.877   1.823
  728   2HZ   LYS  94          2HZ       LYS  94 -21.088  -5.720   0.363
  729   3HZ   LYS  94          3HZ       LYS  94 -20.412  -4.183   0.535
  730    H    ASP  95           H        ASP  95 -17.530  -6.053   3.221
  731    HA   ASP  95           HA       ASP  95 -17.476  -8.633   4.403
  732   1HB   ASP  95          1HB       ASP  95 -19.891  -7.696   3.433
  733   2HB   ASP  95          2HB       ASP  95 -19.260  -8.663   2.113
  734    H    LYS  96           H        LYS  96 -16.298  -6.422   2.278
  735    HA   LYS  96           HA       LYS  96 -15.577  -8.371   0.271
  736   1HB   LYS  96          1HB       LYS  96 -16.117  -5.554  -0.012
  737   2HB   LYS  96          2HB       LYS  96 -14.449  -5.862  -0.427
  738   1HG   LYS  96          1HG       LYS  96 -16.757  -7.405  -1.555
  739   2HG   LYS  96          2HG       LYS  96 -16.048  -5.983  -2.325
  740   1HD   LYS  96          1HD       LYS  96 -14.200  -7.110  -2.994
  741   2HD   LYS  96          2HD       LYS  96 -14.143  -8.089  -1.527
  742   1HE   LYS  96          1HE       LYS  96 -14.599  -9.512  -3.407
  743   2HE   LYS  96          2HE       LYS  96 -16.033  -9.414  -2.382
  744   1HZ   LYS  96          1HZ       LYS  96 -16.863  -7.689  -3.945
  745   2HZ   LYS  96          2HZ       LYS  96 -16.749  -9.242  -4.598
  746   3HZ   LYS  96          3HZ       LYS  96 -15.583  -8.076  -4.983
  747    H    PHE  97           H        PHE  97 -13.657  -9.064   0.108
  748    HA   PHE  97           HA       PHE  97 -11.559  -7.983   1.851
  749   1HB   PHE  97          1HB       PHE  97 -12.743  -9.931   2.863
  750   2HB   PHE  97          2HB       PHE  97 -12.182 -10.914   1.519
  751    HD1  PHE  97           HD1      PHE  97 -10.987  -8.822   4.336
  752    HD2  PHE  97           HD2      PHE  97 -10.077 -11.924   1.573
  753    HE1  PHE  97           HE1      PHE  97  -8.893  -9.277   5.547
  754    HE2  PHE  97           HE2      PHE  97  -7.977 -12.384   2.773
  755    HZ   PHE  97           HZ       PHE  97  -7.372 -11.067   4.739
  756    H    ASP  98           H        ASP  98  -9.489  -8.120   1.107
  757    HA   ASP  98           HA       ASP  98  -8.573  -9.991  -0.790
  758   1HB   ASP  98          1HB       ASP  98  -9.959  -8.431  -2.297
  759   2HB   ASP  98          2HB       ASP  98  -8.715  -7.222  -1.990
  760    H    CYS  99           H        CYS  99  -6.306  -9.472  -1.512
  761    HA   CYS  99           HA       CYS  99  -4.930  -7.433  -0.010
  762   1HB   CYS  99          1HB       CYS  99  -3.344  -9.146   0.990
  763   2HB   CYS  99          2HB       CYS  99  -4.932  -9.031   1.730
  764    HG   CYS  99           HG       CYS  99  -4.819 -11.311  -0.694
  765    H    SER 100           H        SER 100  -2.869  -7.020  -0.763
  766    HA   SER 100           HA       SER 100  -2.170  -8.426  -3.265
  767   1HB   SER 100          1HB       SER 100  -1.553  -6.267  -4.243
  768   2HB   SER 100          2HB       SER 100  -3.213  -6.209  -3.677
  769    HG   SER 100           HG       SER 100  -1.019  -5.310  -2.132
  770    H    ASN 101           H        ASN 101  -0.110  -9.108  -3.409
  771    HA   ASN 101           HA       ASN 101   1.779  -8.175  -1.373
  772   1HB   ASN 101          1HB       ASN 101   3.116 -10.246  -2.106
  773   2HB   ASN 101          2HB       ASN 101   1.654 -10.503  -1.169
  774   1HD2  ASN 101          1HD2      ASN 101   1.786  -9.757  -4.624
  775   2HD2  ASN 101          2HD2      ASN 101   1.162 -11.289  -5.144
  776    H    PHE 102           H        PHE 102   3.343  -6.833  -1.920
  777    HA   PHE 102           HA       PHE 102   4.388  -6.885  -4.641
  778   1HB   PHE 102          1HB       PHE 102   4.199  -4.316  -4.686
  779   2HB   PHE 102          2HB       PHE 102   2.775  -5.266  -5.064
  780    HD1  PHE 102           HD1      PHE 102   3.727  -2.398  -3.544
  781    HD2  PHE 102           HD2      PHE 102   1.479  -5.886  -2.686
  782    HE1  PHE 102           HE1      PHE 102   2.492  -1.173  -1.828
  783    HE2  PHE 102           HE2      PHE 102   0.227  -4.666  -0.980
  784    HZ   PHE 102           HZ       PHE 102   0.664  -2.256  -0.616
  785    H    ASN 103           H        ASN 103   6.481  -6.596  -4.690
  786    HA   ASN 103           HA       ASN 103   7.793  -6.257  -2.116
  787   1HB   ASN 103          1HB       ASN 103   8.769  -7.599  -4.642
  788   2HB   ASN 103          2HB       ASN 103   9.505  -7.656  -3.074
  789   1HD2  ASN 103          1HD2      ASN 103   6.896  -8.758  -5.005
  790   2HD2  ASN 103          2HD2      ASN 103   6.459 -10.066  -3.967
  791    H    LEU 104           H        LEU 104   9.663  -5.158  -1.994
  792    HA   LEU 104           HA       LEU 104  10.436  -3.504  -4.326
  793   1HB   LEU 104          1HB       LEU 104   9.817  -1.740  -3.071
  794   2HB   LEU 104          2HB       LEU 104   9.959  -2.607  -1.541
  795    HG   LEU 104           HG       LEU 104  12.520  -2.228  -2.624
  796   1HD1  LEU 104          1HD1      LEU 104  10.883   0.273  -2.642
  797   2HD1  LEU 104          2HD1      LEU 104  11.595  -0.528  -4.043
  798   3HD1  LEU 104          3HD1      LEU 104  12.637   0.196  -2.815
  799   1HD2  LEU 104          1HD2      LEU 104  11.062  -1.199  -0.232
  800   2HD2  LEU 104          2HD2      LEU 104  12.672  -0.595  -0.620
  801   3HD2  LEU 104          3HD2      LEU 104  12.437  -2.312  -0.307
  802    H    THR 105           H        THR 105  12.233  -4.434  -5.087
  803    HA   THR 105           HA       THR 105  14.046  -5.690  -3.210
  804    HB   THR 105           HB       THR 105  14.520  -5.480  -6.174
  805    HG1  THR 105           HG1      THR 105  12.689  -7.081  -4.751
  806   1HG2  THR 105          1HG2      THR 105  16.369  -6.309  -4.811
  807   2HG2  THR 105          2HG2      THR 105  15.692  -7.619  -5.780
  808   3HG2  THR 105          3HG2      THR 105  15.303  -7.501  -4.064
  809    H    VAL 106           H        VAL 106  15.059  -4.103  -2.129
  810    HA   VAL 106           HA       VAL 106  16.140  -1.830  -3.462
  811    HB   VAL 106           HB       VAL 106  15.222  -1.455  -1.228
  812   1HG1  VAL 106          1HG1      VAL 106  17.232  -3.453  -0.307
  813   2HG1  VAL 106          2HG1      VAL 106  15.467  -3.544  -0.200
  814   3HG1  VAL 106          3HG1      VAL 106  16.356  -2.352   0.756
  815   1HG2  VAL 106          1HG2      VAL 106  17.137  -0.296  -0.222
  816   2HG2  VAL 106          2HG2      VAL 106  17.000  -0.001  -1.957
  817   3HG2  VAL 106          3HG2      VAL 106  18.205  -1.140  -1.343
  818    H    HIS 107           H        HIS 107  17.817  -1.896  -4.407
  819    HA   HIS 107           HA       HIS 107  19.769  -4.026  -4.100
  820   1HB   HIS 107          1HB       HIS 107  19.417  -1.983  -6.305
  821   2HB   HIS 107          2HB       HIS 107  20.637  -3.248  -6.293
  822    HD1  HIS 107           HD1      HIS 107  19.584  -5.774  -6.235
  823    HD2  HIS 107           HD2      HIS 107  17.125  -2.702  -7.568
  824    HE1  HIS 107           HE1      HIS 107  17.699  -6.894  -7.448
  825    HE2  HIS 107           HE2      HIS 107  16.414  -5.011  -8.508
  826    H    GLU 108           H        GLU 108  20.991  -3.384  -2.437
  827    HA   GLU 108           HA       GLU 108  22.303  -0.853  -2.351
  828   1HB   GLU 108          1HB       GLU 108  21.969  -2.281  -0.329
  829   2HB   GLU 108          2HB       GLU 108  23.154  -3.408  -0.975
  830   1HG   GLU 108          1HG       GLU 108  24.904  -1.817  -0.786
  831   2HG   GLU 108          2HG       GLU 108  23.765  -0.515  -0.448
  832    H    ALA 109           H        ALA 109  23.654  -4.106  -2.922
  833    HA   ALA 109           HA       ALA 109  25.076  -3.241  -5.240
  834   1HB   ALA 109          1HB       ALA 109  27.345  -3.580  -4.394
  835   2HB   ALA 109          2HB       ALA 109  26.706  -3.835  -2.770
  836   3HB   ALA 109          3HB       ALA 109  26.538  -2.261  -3.547
  837    H    MET 110           H        MET 110  25.526  -5.630  -2.633
  838    HA   MET 110           HA       MET 110  24.829  -7.784  -4.432
  839   1HB   MET 110          1HB       MET 110  26.963  -8.994  -4.052
  840   2HB   MET 110          2HB       MET 110  27.169  -7.516  -4.982
  841   1HG   MET 110          1HG       MET 110  27.927  -6.373  -2.928
  842   2HG   MET 110          2HG       MET 110  27.803  -7.904  -2.064
  843   1HE   MET 110          1HE       MET 110  28.834  -9.884  -4.527
  844   2HE   MET 110          2HE       MET 110  29.131 -10.073  -2.800
  845   3HE   MET 110          3HE       MET 110  30.484 -10.081  -3.932
  Start of MODEL   13
    1    H    ASP   1           H        ASP   1 -18.729 -12.498   0.035
    2    HA   ASP   1           HA       ASP   1 -17.306  -9.897   0.027
    3   1HB   ASP   1          1HB       ASP   1 -16.731 -12.498  -1.234
    4   2HB   ASP   1          2HB       ASP   1 -16.658 -11.101  -2.296
    5    H    ASP   2           H        ASP   2 -18.348  -8.329  -0.983
    6    HA   ASP   2           HA       ASP   2 -20.810  -9.067  -2.395
    7   1HB   ASP   2          1HB       ASP   2 -19.979  -6.879  -0.562
    8   2HB   ASP   2          2HB       ASP   2 -21.258  -6.585  -1.714
    9    HA   PRO   3           HA       PRO   3 -19.554  -6.771  -6.031
   10   1HB   PRO   3          1HB       PRO   3 -21.776  -5.326  -6.651
   11   2HB   PRO   3          2HB       PRO   3 -21.641  -7.063  -6.938
   12   1HG   PRO   3          1HG       PRO   3 -22.985  -5.615  -4.686
   13   2HG   PRO   3          2HG       PRO   3 -23.539  -7.032  -5.600
   14   1HD   PRO   3          1HD       PRO   3 -22.420  -7.240  -3.146
   15   2HD   PRO   3          2HD       PRO   3 -22.226  -8.487  -4.393
   16    H    ILE   4           H        ILE   4 -18.011  -5.539  -4.922
   17    HA   ILE   4           HA       ILE   4 -18.725  -2.704  -4.547
   18    HB   ILE   4           HB       ILE   4 -17.108  -4.518  -2.806
   19   1HG1  ILE   4          1HG1      ILE   4 -18.127  -2.974  -1.058
   20   2HG1  ILE   4          2HG1      ILE   4 -19.067  -2.268  -2.366
   21   1HG2  ILE   4          1HG2      ILE   4 -16.548  -1.553  -3.015
   22   2HG2  ILE   4          2HG2      ILE   4 -15.444  -2.860  -3.450
   23   3HG2  ILE   4          3HG2      ILE   4 -15.925  -2.637  -1.770
   24   1HD1  ILE   4          1HD1      ILE   4 -20.364  -3.915  -1.187
   25   2HD1  ILE   4          2HD1      ILE   4 -19.119  -5.131  -1.470
   26   3HD1  ILE   4          3HD1      ILE   4 -20.033  -4.471  -2.827
   27    H    GLY   5           H        GLY   5 -15.950  -4.875  -4.876
   28   1HA   GLY   5          1HA       GLY   5 -14.313  -4.833  -6.583
   29   2HA   GLY   5          2HA       GLY   5 -14.973  -3.292  -7.116
   30    H    LEU   6           H        LEU   6 -14.248  -4.258  -3.913
   31    HA   LEU   6           HA       LEU   6 -13.199  -1.973  -2.913
   32   1HB   LEU   6          1HB       LEU   6 -13.773  -4.397  -1.977
   33   2HB   LEU   6          2HB       LEU   6 -12.034  -4.562  -2.046
   34    HG   LEU   6           HG       LEU   6 -11.795  -2.694  -0.526
   35   1HD1  LEU   6          1HD1      LEU   6 -14.767  -2.656  -0.264
   36   2HD1  LEU   6          2HD1      LEU   6 -13.857  -1.490  -1.225
   37   3HD1  LEU   6          3HD1      LEU   6 -13.602  -1.589   0.517
   38   1HD2  LEU   6          1HD2      LEU   6 -13.729  -4.747   0.447
   39   2HD2  LEU   6          2HD2      LEU   6 -12.642  -3.766   1.450
   40   3HD2  LEU   6          3HD2      LEU   6 -11.977  -4.948   0.319
   41    H    PHE   7           H        PHE   7 -11.411  -4.680  -4.323
   42    HA   PHE   7           HA       PHE   7  -9.000  -3.088  -4.365
   43   1HB   PHE   7          1HB       PHE   7  -9.599  -5.857  -4.261
   44   2HB   PHE   7          2HB       PHE   7  -8.705  -5.573  -5.753
   45    HD1  PHE   7           HD1      PHE   7  -8.234  -3.570  -2.692
   46    HD2  PHE   7           HD2      PHE   7  -6.746  -6.753  -5.087
   47    HE1  PHE   7           HE1      PHE   7  -6.139  -3.544  -1.416
   48    HE2  PHE   7           HE2      PHE   7  -4.644  -6.727  -3.815
   49    HZ   PHE   7           HZ       PHE   7  -4.341  -5.121  -1.980
   50    H    VAL   8           H        VAL   8  -9.766  -1.508  -5.726
   51    HA   VAL   8           HA       VAL   8 -10.776  -1.945  -8.338
   52    HB   VAL   8           HB       VAL   8  -9.335   0.511  -7.313
   53   1HG1  VAL   8          1HG1      VAL   8 -11.397   0.177  -9.491
   54   2HG1  VAL   8          2HG1      VAL   8  -9.680   0.503  -9.722
   55   3HG1  VAL   8          3HG1      VAL   8 -10.711   1.705  -8.946
   56   1HG2  VAL   8          1HG2      VAL   8 -11.502   1.348  -6.600
   57   2HG2  VAL   8          2HG2      VAL   8 -11.132  -0.169  -5.775
   58   3HG2  VAL   8          3HG2      VAL   8 -12.275  -0.149  -7.118
   59    H    MET   9           H        MET   9  -7.624  -0.986  -7.104
   60    HA   MET   9           HA       MET   9  -6.340  -2.550  -9.177
   61   1HB   MET   9          1HB       MET   9  -6.445  -0.241 -10.101
   62   2HB   MET   9          2HB       MET   9  -5.542   0.313  -8.701
   63   1HG   MET   9          1HG       MET   9  -3.722  -1.259  -9.351
   64   2HG   MET   9          2HG       MET   9  -4.602  -1.563 -10.847
   65   1HE   MET   9          1HE       MET   9  -2.450   2.320  -9.652
   66   2HE   MET   9          2HE       MET   9  -2.228   0.741  -8.900
   67   3HE   MET   9          3HE       MET   9  -3.737   1.623  -8.663
   68    H    ARG  10           H        ARG  10  -4.707  -3.610  -8.338
   69    HA   ARG  10           HA       ARG  10  -3.945  -2.990  -5.600
   70   1HB   ARG  10          1HB       ARG  10  -2.917  -5.261  -5.626
   71   2HB   ARG  10          2HB       ARG  10  -4.657  -5.249  -5.883
   72   1HG   ARG  10          1HG       ARG  10  -4.264  -5.503  -8.303
   73   2HG   ARG  10          2HG       ARG  10  -2.527  -5.605  -7.983
   74   1HD   ARG  10          1HD       ARG  10  -2.869  -7.584  -6.629
   75   2HD   ARG  10          2HD       ARG  10  -4.615  -7.457  -6.836
   76    HE   ARG  10           HE       ARG  10  -3.664  -7.602  -9.385
   77   1HH1  ARG  10          1HH1      ARG  10  -3.379  -9.582  -6.512
   78   2HH1  ARG  10          2HH1      ARG  10  -3.137 -11.061  -7.388
   79   1HH2  ARG  10          1HH2      ARG  10  -3.375  -9.535 -10.552
   80   2HH2  ARG  10          2HH2      ARG  10  -3.120 -11.035  -9.706
   81    HA   PRO  11           HA       PRO  11  -0.140  -1.396  -6.927
   82   1HB   PRO  11          1HB       PRO  11   1.184  -1.964  -4.456
   83   2HB   PRO  11          2HB       PRO  11   0.415  -0.456  -4.952
   84   1HG   PRO  11          1HG       PRO  11  -0.480  -2.120  -2.924
   85   2HG   PRO  11          2HG       PRO  11  -1.470  -0.902  -3.755
   86   1HD   PRO  11          1HD       PRO  11  -1.326  -3.852  -4.163
   87   2HD   PRO  11          2HD       PRO  11  -2.729  -2.772  -4.261
   88    H    GLN  12           H        GLN  12   2.176  -1.885  -7.167
   89    HA   GLN  12           HA       GLN  12   2.604  -4.767  -7.495
   90   1HB   GLN  12          1HB       GLN  12   3.204  -2.499  -9.379
   91   2HB   GLN  12          2HB       GLN  12   3.629  -4.183  -9.657
   92   1HG   GLN  12          1HG       GLN  12   0.817  -3.226  -9.229
   93   2HG   GLN  12          2HG       GLN  12   1.549  -3.394 -10.823
   94   1HE2  GLN  12          1HE2      GLN  12   0.535  -5.176  -7.921
   95   2HE2  GLN  12          2HE2      GLN  12   0.375  -6.700  -8.734
   96    H    ASP  13           H        ASP  13   5.059  -5.156  -8.020
   97    HA   ASP  13           HA       ASP  13   6.433  -4.227  -5.786
   98   1HB   ASP  13          1HB       ASP  13   8.169  -5.729  -6.756
   99   2HB   ASP  13          2HB       ASP  13   6.634  -6.493  -6.474
  100    H    GLY  14           H        GLY  14   8.909  -4.499  -7.171
  101   1HA   GLY  14          1HA       GLY  14   9.682  -2.655  -8.941
  102   2HA   GLY  14          2HA       GLY  14   9.349  -1.675  -7.528
  103    H    GLU  15           H        GLU  15  11.715  -2.582  -9.076
  104    HA   GLU  15           HA       GLU  15  13.409  -3.309  -6.793
  105   1HB   GLU  15          1HB       GLU  15  13.847  -3.816  -9.738
  106   2HB   GLU  15          2HB       GLU  15  15.064  -4.088  -8.499
  107   1HG   GLU  15          1HG       GLU  15  13.345  -5.643  -7.417
  108   2HG   GLU  15          2HG       GLU  15  12.496  -5.564  -8.962
  109    H    VAL  16           H        VAL  16  14.541  -1.595  -6.066
  110    HA   VAL  16           HA       VAL  16  15.315   0.467  -7.890
  111    HB   VAL  16           HB       VAL  16  14.442   2.150  -6.554
  112   1HG1  VAL  16          1HG1      VAL  16  12.051   1.735  -6.371
  113   2HG1  VAL  16          2HG1      VAL  16  12.355   0.006  -6.535
  114   3HG1  VAL  16          3HG1      VAL  16  12.722   1.096  -7.871
  115   1HG2  VAL  16          1HG2      VAL  16  13.862   0.136  -4.393
  116   2HG2  VAL  16          2HG2      VAL  16  13.427   1.843  -4.331
  117   3HG2  VAL  16          3HG2      VAL  16  15.127   1.370  -4.363
  118    H    THR  17           H        THR  17  16.878   1.800  -6.769
  119    HA   THR  17           HA       THR  17  18.779   0.113  -5.361
  120    HB   THR  17           HB       THR  17  19.535   2.869  -6.105
  121    HG1  THR  17           HG1      THR  17  19.891   1.839  -8.352
  122   1HG2  THR  17          1HG2      THR  17  20.822   0.166  -6.492
  123   2HG2  THR  17          2HG2      THR  17  21.180   1.321  -5.209
  124   3HG2  THR  17          3HG2      THR  17  21.573   1.712  -6.884
  125    H    VAL  18           H        VAL  18  19.885   0.914  -3.471
  126    HA   VAL  18           HA       VAL  18  18.348   2.249  -1.572
  127    HB   VAL  18           HB       VAL  18  21.314   2.263  -1.503
  128   1HG1  VAL  18          1HG1      VAL  18  20.980   2.146   0.922
  129   2HG1  VAL  18          2HG1      VAL  18  19.237   2.140   0.658
  130   3HG1  VAL  18          3HG1      VAL  18  20.194   3.548   0.196
  131   1HG2  VAL  18          1HG2      VAL  18  19.553  -0.032  -0.669
  132   2HG2  VAL  18          2HG2      VAL  18  21.291   0.081  -0.388
  133   3HG2  VAL  18          3HG2      VAL  18  20.670  -0.032  -2.037
  134    H    GLY  19           H        GLY  19  17.721   4.040  -2.010
  135   1HA   GLY  19          1HA       GLY  19  18.164   6.357  -1.348
  136   2HA   GLY  19          2HA       GLY  19  19.643   6.252  -2.288
  137    H    GLY  20           H        GLY  20  17.063   4.763  -3.971
  138   1HA   GLY  20          1HA       GLY  20  16.676   7.180  -5.534
  139   2HA   GLY  20          2HA       GLY  20  16.202   5.561  -5.978
  140    H    SER  21           H        SER  21  14.273   5.365  -6.037
  141    HA   SER  21           HA       SER  21  12.606   6.014  -3.861
  142   1HB   SER  21          1HB       SER  21  10.979   7.063  -5.377
  143   2HB   SER  21          2HB       SER  21  12.418   7.995  -5.102
  144    HG   SER  21           HG       SER  21  12.146   6.285  -7.326
  145    H    ILE  22           H        ILE  22  10.566   5.168  -4.118
  146    HA   ILE  22           HA       ILE  22   9.974   3.219  -6.107
  147    HB   ILE  22           HB       ILE  22  11.065   1.874  -4.547
  148   1HG1  ILE  22          1HG1      ILE  22   9.203   0.340  -3.875
  149   2HG1  ILE  22          2HG1      ILE  22   8.089   1.573  -4.446
  150   1HG2  ILE  22          1HG2      ILE  22   9.163   2.656  -2.391
  151   2HG2  ILE  22          2HG2      ILE  22  10.760   3.376  -2.575
  152   3HG2  ILE  22          3HG2      ILE  22  10.603   1.649  -2.255
  153   1HD1  ILE  22          1HD1      ILE  22  10.157   0.156  -6.113
  154   2HD1  ILE  22          2HD1      ILE  22   9.017   1.375  -6.689
  155   3HD1  ILE  22          3HD1      ILE  22   8.424  -0.181  -6.100
  156    H    THR  23           H        THR  23   7.870   2.891  -6.206
  157    HA   THR  23           HA       THR  23   6.129   4.718  -4.747
  158    HB   THR  23           HB       THR  23   6.023   4.730  -7.745
  159    HG1  THR  23           HG1      THR  23   7.252   6.783  -6.202
  160   1HG2  THR  23          1HG2      THR  23   4.977   6.598  -5.606
  161   2HG2  THR  23          2HG2      THR  23   4.015   5.487  -6.582
  162   3HG2  THR  23          3HG2      THR  23   4.826   6.859  -7.342
  163    H    PHE  24           H        PHE  24   4.315   3.903  -4.324
  164    HA   PHE  24           HA       PHE  24   3.244   1.720  -5.960
  165   1HB   PHE  24          1HB       PHE  24   3.078   1.983  -2.958
  166   2HB   PHE  24          2HB       PHE  24   2.382   0.710  -3.937
  167    HD1  PHE  24           HD1      PHE  24   4.365  -0.211  -5.683
  168    HD2  PHE  24           HD2      PHE  24   4.851   1.239  -1.723
  169    HE1  PHE  24           HE1      PHE  24   6.441  -1.513  -5.467
  170    HE2  PHE  24           HE2      PHE  24   6.931  -0.053  -1.498
  171    HZ   PHE  24           HZ       PHE  24   7.726  -1.433  -3.368
  172    H    SER  25           H        SER  25   1.141   1.802  -6.346
  173    HA   SER  25           HA       SER  25  -0.525   3.798  -5.057
  174   1HB   SER  25          1HB       SER  25  -1.135   3.050  -7.849
  175   2HB   SER  25          2HB       SER  25  -1.378   4.575  -7.022
  176    HG   SER  25           HG       SER  25   1.133   4.466  -7.066
  177    H    ALA  26           H        ALA  26  -2.122   2.950  -4.157
  178    HA   ALA  26           HA       ALA  26  -3.207   0.329  -4.959
  179   1HB   ALA  26          1HB       ALA  26  -3.831   0.163  -2.471
  180   2HB   ALA  26          2HB       ALA  26  -2.691   1.492  -2.227
  181   3HB   ALA  26          3HB       ALA  26  -2.129  -0.031  -2.883
  182    H    ARG  27           H        ARG  27  -5.256   0.478  -5.701
  183    HA   ARG  27           HA       ARG  27  -6.820   2.860  -4.941
  184   1HB   ARG  27          1HB       ARG  27  -7.123   1.022  -7.325
  185   2HB   ARG  27          2HB       ARG  27  -8.133   2.421  -6.987
  186   1HG   ARG  27          1HG       ARG  27  -6.242   3.900  -7.269
  187   2HG   ARG  27          2HG       ARG  27  -5.163   2.523  -7.493
  188   1HD   ARG  27          1HD       ARG  27  -6.427   1.878  -9.505
  189   2HD   ARG  27          2HD       ARG  27  -7.466   3.288  -9.288
  190    HE   ARG  27           HE       ARG  27  -4.577   3.652  -9.621
  191   1HH1  ARG  27          1HH1      ARG  27  -7.844   4.097 -10.837
  192   2HH1  ARG  27          2HH1      ARG  27  -7.353   5.228 -12.061
  193   1HH2  ARG  27          1HH2      ARG  27  -3.937   5.108 -11.252
  194   2HH2  ARG  27          2HH2      ARG  27  -5.145   5.807 -12.299
  195    H    VAL  28           H        VAL  28  -8.527   2.592  -3.617
  196    HA   VAL  28           HA       VAL  28  -9.792  -0.034  -3.506
  197    HB   VAL  28           HB       VAL  28  -9.544   1.772  -1.112
  198   1HG1  VAL  28          1HG1      VAL  28 -11.427   0.156  -1.167
  199   2HG1  VAL  28          2HG1      VAL  28 -10.267  -0.187   0.122
  200   3HG1  VAL  28          3HG1      VAL  28 -10.256  -1.154  -1.352
  201   1HG2  VAL  28          1HG2      VAL  28  -7.821  -0.585  -1.856
  202   2HG2  VAL  28          2HG2      VAL  28  -7.799   0.244  -0.304
  203   3HG2  VAL  28          3HG2      VAL  28  -7.312   1.101  -1.766
  204    H    ALA  29           H        ALA  29 -11.758   0.026  -3.884
  205    HA   ALA  29           HA       ALA  29 -13.317   2.179  -4.588
  206   1HB   ALA  29          1HB       ALA  29 -14.238  -0.510  -3.596
  207   2HB   ALA  29          2HB       ALA  29 -13.776  -0.132  -5.255
  208   3HB   ALA  29          3HB       ALA  29 -15.189   0.639  -4.537
  209    H    GLY  30           H        GLY  30 -13.781   3.764  -3.338
  210   1HA   GLY  30          1HA       GLY  30 -14.255   3.865  -0.602
  211   2HA   GLY  30          2HA       GLY  30 -15.005   4.941  -1.780
  212    H    ALA  31           H        ALA  31 -16.472   3.249  -3.244
  213    HA   ALA  31           HA       ALA  31 -18.417   2.105  -3.432
  214   1HB   ALA  31          1HB       ALA  31 -17.200   0.495  -1.225
  215   2HB   ALA  31          2HB       ALA  31 -16.666   0.454  -2.906
  216   3HB   ALA  31          3HB       ALA  31 -18.299  -0.072  -2.490
  217    H    SER  32           H        SER  32 -19.601   0.432  -1.438
  218    HA   SER  32           HA       SER  32 -20.822   2.338   0.426
  219   1HB   SER  32          1HB       SER  32 -22.390   1.958  -1.421
  220   2HB   SER  32          2HB       SER  32 -22.222   0.214  -1.233
  221    HG   SER  32           HG       SER  32 -23.815   0.371   0.111
  222    H    LEU  33           H        LEU  33 -20.943   1.571   2.489
  223    HA   LEU  33           HA       LEU  33 -20.676  -1.196   3.101
  224   1HB   LEU  33          1HB       LEU  33 -18.613  -0.692   4.530
  225   2HB   LEU  33          2HB       LEU  33 -18.406  -1.045   2.840
  226    HG   LEU  33           HG       LEU  33 -17.051   0.868   4.056
  227   1HD1  LEU  33          1HD1      LEU  33 -18.224   1.178   1.295
  228   2HD1  LEU  33          2HD1      LEU  33 -16.823   0.195   1.727
  229   3HD1  LEU  33          3HD1      LEU  33 -16.756   1.949   1.898
  230   1HD2  LEU  33          1HD2      LEU  33 -19.188   2.624   2.952
  231   2HD2  LEU  33          2HD2      LEU  33 -17.918   2.981   4.117
  232   3HD2  LEU  33          3HD2      LEU  33 -19.319   2.030   4.607
  233    H    LEU  34           H        LEU  34 -20.194  -1.414   5.529
  234    HA   LEU  34           HA       LEU  34 -22.103   0.084   7.024
  235   1HB   LEU  34          1HB       LEU  34 -21.449  -2.320   7.409
  236   2HB   LEU  34          2HB       LEU  34 -19.923  -1.732   8.046
  237    HG   LEU  34           HG       LEU  34 -21.345  -0.386   9.694
  238   1HD1  LEU  34          1HD1      LEU  34 -23.535  -1.322  10.204
  239   2HD1  LEU  34          2HD1      LEU  34 -23.397  -2.412   8.826
  240   3HD1  LEU  34          3HD1      LEU  34 -23.484  -0.672   8.564
  241   1HD2  LEU  34          1HD2      LEU  34 -19.966  -2.312  10.295
  242   2HD2  LEU  34          2HD2      LEU  34 -21.286  -3.396   9.860
  243   3HD2  LEU  34          3HD2      LEU  34 -21.469  -2.287  11.218
  244    H    LYS  35           H        LYS  35 -18.596  -0.087   6.814
  245    HA   LYS  35           HA       LYS  35 -18.385   2.679   7.566
  246   1HB   LYS  35          1HB       LYS  35 -16.480   2.104   9.187
  247   2HB   LYS  35          2HB       LYS  35 -18.121   1.858   9.755
  248   1HG   LYS  35          1HG       LYS  35 -16.928  -0.006  10.496
  249   2HG   LYS  35          2HG       LYS  35 -17.837  -0.575   9.097
  250   1HD   LYS  35          1HD       LYS  35 -15.602  -1.465   9.003
  251   2HD   LYS  35          2HD       LYS  35 -15.799  -0.280   7.713
  252   1HE   LYS  35          1HE       LYS  35 -13.644   0.016   8.751
  253   2HE   LYS  35          2HE       LYS  35 -14.668   1.397   9.129
  254   1HZ   LYS  35          1HZ       LYS  35 -14.990   0.639  11.313
  255   2HZ   LYS  35          2HZ       LYS  35 -13.330   0.448  11.019
  256   3HZ   LYS  35          3HZ       LYS  35 -14.360  -0.899  10.974
  257    HA   PRO  36           HA       PRO  36 -15.520   3.049   4.342
  258   1HB   PRO  36          1HB       PRO  36 -13.614   4.162   6.359
  259   2HB   PRO  36          2HB       PRO  36 -14.085   4.804   4.780
  260   1HG   PRO  36          1HG       PRO  36 -15.094   5.847   7.005
  261   2HG   PRO  36          2HG       PRO  36 -16.106   5.629   5.566
  262   1HD   PRO  36          1HD       PRO  36 -16.052   4.064   8.103
  263   2HD   PRO  36          2HD       PRO  36 -17.419   4.421   7.029
  264    HA   PRO  37           HA       PRO  37 -13.198  -0.698   4.489
  265   1HB   PRO  37          1HB       PRO  37 -11.329   0.517   2.604
  266   2HB   PRO  37          2HB       PRO  37 -12.306  -0.932   2.433
  267   1HG   PRO  37          1HG       PRO  37 -12.917   1.368   1.103
  268   2HG   PRO  37          2HG       PRO  37 -14.128   0.189   1.614
  269   1HD   PRO  37          1HD       PRO  37 -13.499   2.848   2.735
  270   2HD   PRO  37          2HD       PRO  37 -15.027   1.942   2.740
  271    H    VAL  38           H        VAL  38 -11.591  -1.425   5.613
  272    HA   VAL  38           HA       VAL  38  -9.647   0.444   6.702
  273    HB   VAL  38           HB       VAL  38  -9.858  -2.350   7.632
  274   1HG1  VAL  38          1HG1      VAL  38  -8.023  -1.058   8.444
  275   2HG1  VAL  38          2HG1      VAL  38  -9.143  -1.343   9.777
  276   3HG1  VAL  38          3HG1      VAL  38  -9.107   0.227   8.974
  277   1HG2  VAL  38          1HG2      VAL  38 -11.657  -0.163   8.654
  278   2HG2  VAL  38          2HG2      VAL  38 -11.514  -1.785   9.337
  279   3HG2  VAL  38          3HG2      VAL  38 -12.175  -1.564   7.717
  280    H    VAL  39           H        VAL  39  -8.170   0.451   5.329
  281    HA   VAL  39           HA       VAL  39  -6.963  -2.026   4.434
  282    HB   VAL  39           HB       VAL  39  -6.184   0.609   3.291
  283   1HG1  VAL  39          1HG1      VAL  39  -6.265  -2.184   2.197
  284   2HG1  VAL  39          2HG1      VAL  39  -4.844  -1.273   2.703
  285   3HG1  VAL  39          3HG1      VAL  39  -5.758  -0.766   1.282
  286   1HG2  VAL  39          1HG2      VAL  39  -7.890   0.552   1.603
  287   2HG2  VAL  39          2HG2      VAL  39  -8.662   0.539   3.187
  288   3HG2  VAL  39          3HG2      VAL  39  -8.540  -0.952   2.250
  289    H    LYS  40           H        LYS  40  -5.360  -2.427   5.698
  290    HA   LYS  40           HA       LYS  40  -3.639  -0.324   6.617
  291   1HB   LYS  40          1HB       LYS  40  -2.720  -2.009   8.180
  292   2HB   LYS  40          2HB       LYS  40  -4.391  -1.610   8.469
  293   1HG   LYS  40          1HG       LYS  40  -4.478  -3.869   8.682
  294   2HG   LYS  40          2HG       LYS  40  -4.794  -3.705   6.956
  295   1HD   LYS  40          1HD       LYS  40  -3.145  -5.238   6.765
  296   2HD   LYS  40          2HD       LYS  40  -2.092  -3.834   6.934
  297   1HE   LYS  40          1HE       LYS  40  -2.988  -5.665   9.162
  298   2HE   LYS  40          2HE       LYS  40  -1.403  -5.672   8.398
  299   1HZ   LYS  40          1HZ       LYS  40  -1.348  -4.513  10.496
  300   2HZ   LYS  40          2HZ       LYS  40  -2.563  -3.450   9.997
  301   3HZ   LYS  40          3HZ       LYS  40  -1.041  -3.412   9.243
  302    H    TRP  41           H        TRP  41  -1.852  -0.138   5.890
  303    HA   TRP  41           HA       TRP  41  -0.731  -1.990   3.975
  304   1HB   TRP  41          1HB       TRP  41   0.089   0.747   4.902
  305   2HB   TRP  41          2HB       TRP  41   1.075  -0.237   3.832
  306    HD1  TRP  41           HD1      TRP  41  -2.477   1.295   3.902
  307    HE1  TRP  41           HE1      TRP  41  -3.050   1.959   1.466
  308    HE3  TRP  41           HE3      TRP  41   1.630  -0.593   1.519
  309    HZ2  TRP  41           HZ2      TRP  41  -1.961   1.644  -1.098
  310    HZ3  TRP  41           HZ3      TRP  41   1.770  -0.391  -0.929
  311    HH2  TRP  41           HH2      TRP  41   0.001   0.726  -2.205
  312    H    PHE  42           H        PHE  42   1.395  -2.604   4.093
  313    HA   PHE  42           HA       PHE  42   2.608  -2.833   6.739
  314   1HB   PHE  42          1HB       PHE  42   1.088  -4.873   5.999
  315   2HB   PHE  42          2HB       PHE  42   2.438  -5.204   4.925
  316    HD1  PHE  42           HD1      PHE  42   4.331  -6.333   5.671
  317    HD2  PHE  42           HD2      PHE  42   1.530  -4.807   8.486
  318    HE1  PHE  42           HE1      PHE  42   5.511  -7.508   7.488
  319    HE2  PHE  42           HE2      PHE  42   2.702  -5.976  10.302
  320    HZ   PHE  42           HZ       PHE  42   4.620  -7.467   9.761
  321    H    LYS  43           H        LYS  43   4.832  -2.461   6.463
  322    HA   LYS  43           HA       LYS  43   5.483  -2.185   3.606
  323   1HB   LYS  43          1HB       LYS  43   5.746  -0.089   4.497
  324   2HB   LYS  43          2HB       LYS  43   6.447  -0.669   6.004
  325   1HG   LYS  43          1HG       LYS  43   8.501  -1.215   4.891
  326   2HG   LYS  43          2HG       LYS  43   7.767  -0.901   3.318
  327   1HD   LYS  43          1HD       LYS  43   7.426   1.450   4.087
  328   2HD   LYS  43          2HD       LYS  43   8.446   1.039   5.480
  329   1HE   LYS  43          1HE       LYS  43  10.243   0.474   4.131
  330   2HE   LYS  43          2HE       LYS  43   9.268   0.488   2.667
  331   1HZ   LYS  43          1HZ       LYS  43   8.960   2.904   2.991
  332   2HZ   LYS  43          2HZ       LYS  43  10.566   2.463   2.703
  333   3HZ   LYS  43          3HZ       LYS  43  10.068   2.849   4.272
  334    H    GLY  44           H        GLY  44   6.867  -3.812   2.926
  335   1HA   GLY  44          1HA       GLY  44   7.730  -5.470   5.131
  336   2HA   GLY  44          2HA       GLY  44   7.776  -5.929   3.443
  337    H    LYS  45           H        LYS  45   9.363  -3.916   5.847
  338    HA   LYS  45           HA       LYS  45  11.734  -5.486   5.173
  339   1HB   LYS  45          1HB       LYS  45  11.663  -2.968   6.069
  340   2HB   LYS  45          2HB       LYS  45  11.401  -3.742   7.611
  341   1HG   LYS  45          1HG       LYS  45  13.503  -4.721   7.631
  342   2HG   LYS  45          2HG       LYS  45  13.715  -4.513   5.890
  343   1HD   LYS  45          1HD       LYS  45  15.109  -2.965   7.264
  344   2HD   LYS  45          2HD       LYS  45  14.024  -2.143   6.141
  345   1HE   LYS  45          1HE       LYS  45  12.555  -1.523   7.872
  346   2HE   LYS  45          2HE       LYS  45  13.309  -2.626   9.018
  347   1HZ   LYS  45          1HZ       LYS  45  14.542  -0.169   7.892
  348   2HZ   LYS  45          2HZ       LYS  45  15.302  -1.241   8.960
  349   3HZ   LYS  45          3HZ       LYS  45  13.943  -0.361   9.466
  350    H    TRP  46           H        TRP  46   8.912  -5.059   6.945
  351    HA   TRP  46           HA       TRP  46   8.246  -7.263   8.222
  352   1HB   TRP  46          1HB       TRP  46   9.114  -6.646  10.601
  353   2HB   TRP  46          2HB       TRP  46  10.082  -7.636   9.531
  354    HD1  TRP  46           HD1      TRP  46   9.816  -3.850   9.407
  355    HE1  TRP  46           HE1      TRP  46  12.144  -2.836   9.685
  356    HE3  TRP  46           HE3      TRP  46  12.350  -8.102  10.575
  357    HZ2  TRP  46           HZ2      TRP  46  14.734  -3.723  10.442
  358    HZ3  TRP  46           HZ3      TRP  46  14.750  -7.941  11.094
  359    HH2  TRP  46           HH2      TRP  46  15.917  -5.797  11.027
  360    H    VAL  47           H        VAL  47   8.120  -3.897   7.972
  361    HA   VAL  47           HA       VAL  47   6.898  -3.300  10.398
  362    HB   VAL  47           HB       VAL  47   7.591  -1.243  10.037
  363   1HG1  VAL  47          1HG1      VAL  47   9.591  -2.580   9.457
  364   2HG1  VAL  47          2HG1      VAL  47   9.590  -0.929   8.838
  365   3HG1  VAL  47          3HG1      VAL  47   9.201  -2.268   7.759
  366   1HG2  VAL  47          1HG2      VAL  47   7.521   0.066   8.049
  367   2HG2  VAL  47          2HG2      VAL  47   5.970  -0.713   8.354
  368   3HG2  VAL  47          3HG2      VAL  47   7.062  -1.362   7.127
  369    H    ASP  48           H        ASP  48   5.252  -1.807  10.352
  370    HA   ASP  48           HA       ASP  48   3.081  -2.206   8.445
  371   1HB   ASP  48          1HB       ASP  48   2.584  -2.948  10.748
  372   2HB   ASP  48          2HB       ASP  48   2.944  -1.308  11.299
  373    H    LEU  49           H        LEU  49   2.340  -0.406   7.489
  374    HA   LEU  49           HA       LEU  49   3.958   1.939   7.679
  375   1HB   LEU  49          1HB       LEU  49   1.696   1.061   5.940
  376   2HB   LEU  49          2HB       LEU  49   2.146   2.751   5.978
  377    HG   LEU  49           HG       LEU  49   4.547   1.530   5.492
  378   1HD1  LEU  49          1HD1      LEU  49   3.399  -0.615   5.025
  379   2HD1  LEU  49          2HD1      LEU  49   4.203   0.094   3.620
  380   3HD1  LEU  49          3HD1      LEU  49   2.447   0.215   3.783
  381   1HD2  LEU  49          1HD2      LEU  49   4.223   2.395   3.268
  382   2HD2  LEU  49          2HD2      LEU  49   3.662   3.525   4.502
  383   3HD2  LEU  49          3HD2      LEU  49   2.499   2.546   3.591
  384    H    SER  50           H        SER  50   0.902   1.118   9.080
  385    HA   SER  50           HA       SER  50  -0.315   3.603   8.645
  386   1HB   SER  50          1HB       SER  50  -1.474   1.399   9.181
  387   2HB   SER  50          2HB       SER  50  -1.016   1.678  10.860
  388    HG   SER  50           HG       SER  50  -2.067   3.897  10.252
  389    H    SER  51           H        SER  51   2.005   2.464  10.869
  390    HA   SER  51           HA       SER  51   1.457   4.683  12.580
  391   1HB   SER  51          1HB       SER  51   1.824   2.261  13.414
  392   2HB   SER  51          2HB       SER  51   3.527   2.657  13.247
  393    HG   SER  51           HG       SER  51   1.972   4.525  14.588
  394    H    LYS  52           H        LYS  52   3.460   3.782  10.163
  395    HA   LYS  52           HA       LYS  52   5.895   4.932  11.169
  396   1HB   LYS  52          1HB       LYS  52   5.184   3.065   9.054
  397   2HB   LYS  52          2HB       LYS  52   6.820   3.666   9.369
  398   1HG   LYS  52          1HG       LYS  52   6.538   3.055  11.737
  399   2HG   LYS  52          2HG       LYS  52   4.980   2.329  11.294
  400   1HD   LYS  52          1HD       LYS  52   5.932   0.815   9.934
  401   2HD   LYS  52          2HD       LYS  52   7.443   1.740   9.891
  402   1HE   LYS  52          1HE       LYS  52   7.456  -0.433  11.198
  403   2HE   LYS  52          2HE       LYS  52   8.070   0.999  12.039
  404   1HZ   LYS  52          1HZ       LYS  52   5.979   1.212  13.195
  405   2HZ   LYS  52          2HZ       LYS  52   6.559  -0.363  13.416
  406   3HZ   LYS  52          3HZ       LYS  52   5.301  -0.074  12.324
  407    H    VAL  53           H        VAL  53   5.048   4.638   7.875
  408    HA   VAL  53           HA       VAL  53   5.055   6.146   6.143
  409    HB   VAL  53           HB       VAL  53   2.695   6.329   7.932
  410   1HG1  VAL  53          1HG1      VAL  53   2.464   8.407   6.738
  411   2HG1  VAL  53          2HG1      VAL  53   1.445   7.214   5.907
  412   3HG1  VAL  53          3HG1      VAL  53   3.021   7.659   5.236
  413   1HG2  VAL  53          1HG2      VAL  53   3.192   4.264   6.861
  414   2HG2  VAL  53          2HG2      VAL  53   3.290   5.060   5.292
  415   3HG2  VAL  53          3HG2      VAL  53   1.747   4.969   6.138
  416    H    GLY  54           H        GLY  54   6.538   7.607   5.961
  417   1HA   GLY  54          1HA       GLY  54   6.070  10.213   7.232
  418   2HA   GLY  54          2HA       GLY  54   7.582   9.411   7.618
  419    H    GLN  55           H        GLN  55   8.883  10.956   6.741
  420    HA   GLN  55           HA       GLN  55   8.320  12.365   4.381
  421   1HB   GLN  55          1HB       GLN  55   9.762  13.139   6.260
  422   2HB   GLN  55          2HB       GLN  55  11.001  12.019   5.722
  423   1HG   GLN  55          1HG       GLN  55   9.941  14.012   3.789
  424   2HG   GLN  55          2HG       GLN  55  11.045  14.557   5.048
  425   1HE2  GLN  55          1HE2      GLN  55  12.517  12.038   5.090
  426   2HE2  GLN  55          2HE2      GLN  55  13.482  12.023   3.649
  427    H    HIS  56           H        HIS  56   9.971   9.341   4.868
  428    HA   HIS  56           HA       HIS  56  11.008   9.402   2.140
  429   1HB   HIS  56          1HB       HIS  56  12.013   7.170   2.754
  430   2HB   HIS  56          2HB       HIS  56  12.579   8.547   3.672
  431    HD1  HIS  56           HD1      HIS  56  10.068   5.733   4.093
  432    HD2  HIS  56           HD2      HIS  56  12.587   8.158   6.329
  433    HE1  HIS  56           HE1      HIS  56   9.851   4.915   6.462
  434    HE2  HIS  56           HE2      HIS  56  11.574   6.253   7.745
  435    H    LEU  57           H        LEU  57   8.694   7.562   4.029
  436    HA   LEU  57           HA       LEU  57   7.397   6.995   1.521
  437   1HB   LEU  57          1HB       LEU  57   7.900   4.891   1.806
  438   2HB   LEU  57          2HB       LEU  57   8.307   5.113   3.426
  439    HG   LEU  57           HG       LEU  57   6.180   4.442   4.227
  440   1HD1  LEU  57          1HD1      LEU  57   5.155   4.842   1.395
  441   2HD1  LEU  57          2HD1      LEU  57   4.714   5.794   2.812
  442   3HD1  LEU  57          3HD1      LEU  57   4.242   4.101   2.704
  443   1HD2  LEU  57          1HD2      LEU  57   5.751   2.353   3.191
  444   2HD2  LEU  57          2HD2      LEU  57   7.484   2.637   3.356
  445   3HD2  LEU  57          3HD2      LEU  57   6.708   2.816   1.789
  446    H    GLN  58           H        GLN  58   5.893   8.436   1.600
  447    HA   GLN  58           HA       GLN  58   4.165   8.649   3.876
  448   1HB   GLN  58          1HB       GLN  58   3.791   9.965   1.184
  449   2HB   GLN  58          2HB       GLN  58   3.143  10.470   2.735
  450   1HG   GLN  58          1HG       GLN  58   4.774  12.014   2.372
  451   2HG   GLN  58          2HG       GLN  58   5.634  10.846   3.346
  452   1HE2  GLN  58          1HE2      GLN  58   7.307   9.740   2.484
  453   2HE2  GLN  58          2HE2      GLN  58   7.964  10.053   0.907
  454    H    LEU  59           H        LEU  59   2.776   7.167   3.981
  455    HA   LEU  59           HA       LEU  59   1.526   5.934   1.685
  456   1HB   LEU  59          1HB       LEU  59   2.224   4.661   3.830
  457   2HB   LEU  59          2HB       LEU  59   0.917   5.475   4.632
  458    HG   LEU  59           HG       LEU  59   0.798   3.274   2.602
  459   1HD1  LEU  59          1HD1      LEU  59  -0.878   2.667   4.514
  460   2HD1  LEU  59          2HD1      LEU  59   0.073   3.869   5.411
  461   3HD1  LEU  59          3HD1      LEU  59   0.869   2.444   4.700
  462   1HD2  LEU  59          1HD2      LEU  59  -1.610   3.597   2.450
  463   2HD2  LEU  59          2HD2      LEU  59  -0.729   4.965   1.757
  464   3HD2  LEU  59          3HD2      LEU  59  -1.472   5.107   3.354
  465    H    HIS  60           H        HIS  60   0.429   7.608   0.870
  466    HA   HIS  60           HA       HIS  60  -1.388   9.098   2.468
  467   1HB   HIS  60          1HB       HIS  60  -0.539   9.331  -0.393
  468   2HB   HIS  60          2HB       HIS  60  -1.829  10.277   0.297
  469    HD1  HIS  60           HD1      HIS  60   0.881  11.365  -0.900
  470    HD2  HIS  60           HD2      HIS  60  -0.101  10.973   3.118
  471    HE1  HIS  60           HE1      HIS  60   2.317  13.044   0.320
  472    HE2  HIS  60           HE2      HIS  60   1.486  12.968   2.702
  473    H    ASP  61           H        ASP  61  -3.366   9.396   1.706
  474    HA   ASP  61           HA       ASP  61  -4.576   7.402   0.045
  475   1HB   ASP  61          1HB       ASP  61  -6.593   7.548   1.494
  476   2HB   ASP  61          2HB       ASP  61  -5.265   6.600   2.109
  477    H    SER  62           H        SER  62  -5.193   8.367  -1.503
  478    HA   SER  62           HA       SER  62  -6.059  11.117  -1.468
  479   1HB   SER  62          1HB       SER  62  -6.050   9.351  -3.882
  480   2HB   SER  62          2HB       SER  62  -5.960  11.104  -3.820
  481    HG   SER  62           HG       SER  62  -3.918  10.027  -4.235
  482    H    TYR  63           H        TYR  63  -8.089  11.730  -2.345
  483    HA   TYR  63           HA       TYR  63 -10.083   9.720  -1.720
  484   1HB   TYR  63          1HB       TYR  63  -9.692  11.005   0.244
  485   2HB   TYR  63          2HB       TYR  63  -9.931  12.514  -0.611
  486    HD1  TYR  63           HD1      TYR  63 -12.018  13.522  -0.506
  487    HD2  TYR  63           HD2      TYR  63 -11.711   9.352   0.276
  488    HE1  TYR  63           HE1      TYR  63 -14.414  13.453   0.035
  489    HE2  TYR  63           HE2      TYR  63 -14.106   9.274   0.836
  490    HH   TYR  63           HH       TYR  63 -16.246  11.725   0.040
  491    H    ASP  64           H        ASP  64 -10.737   9.441  -3.648
  492    HA   ASP  64           HA       ASP  64 -11.901  11.745  -5.062
  493   1HB   ASP  64          1HB       ASP  64 -10.298   9.533  -5.938
  494   2HB   ASP  64          2HB       ASP  64 -11.834   9.567  -6.763
  495    H    ARG  65           H        ARG  65 -13.819  11.713  -4.162
  496    HA   ARG  65           HA       ARG  65 -15.275   9.255  -3.777
  497   1HB   ARG  65          1HB       ARG  65 -15.317  11.833  -2.620
  498   2HB   ARG  65          2HB       ARG  65 -16.916  11.544  -3.310
  499   1HG   ARG  65          1HG       ARG  65 -15.438   9.751  -1.406
  500   2HG   ARG  65          2HG       ARG  65 -16.857  10.744  -1.037
  501   1HD   ARG  65          1HD       ARG  65 -17.096   8.946  -3.353
  502   2HD   ARG  65          2HD       ARG  65 -16.999   8.135  -1.774
  503    HE   ARG  65           HE       ARG  65 -18.898   9.743  -1.153
  504   1HH1  ARG  65          1HH1      ARG  65 -18.410   8.671  -4.458
  505   2HH1  ARG  65          2HH1      ARG  65 -20.103   8.619  -4.828
  506   1HH2  ARG  65          1HH2      ARG  65 -21.116   9.702  -1.643
  507   2HH2  ARG  65          2HH2      ARG  65 -21.640   9.201  -3.219
  508    H    ALA  66           H        ALA  66 -15.183  11.884  -5.940
  509    HA   ALA  66           HA       ALA  66 -17.521  11.313  -7.428
  510   1HB   ALA  66          1HB       ALA  66 -16.372  13.473  -7.582
  511   2HB   ALA  66          2HB       ALA  66 -16.534  12.715  -9.165
  512   3HB   ALA  66          3HB       ALA  66 -14.985  12.679  -8.325
  513    H    SER  67           H        SER  67 -14.494   9.845  -7.134
  514    HA   SER  67           HA       SER  67 -14.948   8.192  -9.507
  515   1HB   SER  67          1HB       SER  67 -12.403   8.517  -7.905
  516   2HB   SER  67          2HB       SER  67 -12.584   7.594  -9.394
  517    HG   SER  67           HG       SER  67 -11.983  10.161  -9.136
  518    H    LYS  68           H        LYS  68 -15.041   8.368  -6.152
  519    HA   LYS  68           HA       LYS  68 -15.695   6.903  -4.537
  520   1HB   LYS  68          1HB       LYS  68 -17.345   6.259  -6.323
  521   2HB   LYS  68          2HB       LYS  68 -16.211   5.024  -6.833
  522   1HG   LYS  68          1HG       LYS  68 -17.671   3.822  -5.548
  523   2HG   LYS  68          2HG       LYS  68 -16.393   4.195  -4.397
  524   1HD   LYS  68          1HD       LYS  68 -18.676   6.086  -4.590
  525   2HD   LYS  68          2HD       LYS  68 -18.971   4.519  -3.834
  526   1HE   LYS  68          1HE       LYS  68 -16.936   5.015  -2.371
  527   2HE   LYS  68          2HE       LYS  68 -17.053   6.676  -2.985
  528   1HZ   LYS  68          1HZ       LYS  68 -19.362   6.733  -2.147
  529   2HZ   LYS  68          2HZ       LYS  68 -18.239   6.499  -0.911
  530   3HZ   LYS  68          3HZ       LYS  68 -19.153   5.191  -1.478
  531    H    VAL  69           H        VAL  69 -12.968   7.109  -5.345
  532    HA   VAL  69           HA       VAL  69 -11.995   4.464  -4.570
  533    HB   VAL  69           HB       VAL  69 -10.391   6.233  -6.385
  534   1HG1  VAL  69          1HG1      VAL  69 -10.326   3.282  -5.807
  535   2HG1  VAL  69          2HG1      VAL  69  -9.210   4.501  -5.187
  536   3HG1  VAL  69          3HG1      VAL  69  -9.247   4.131  -6.913
  537   1HG2  VAL  69          1HG2      VAL  69 -12.232   4.023  -7.313
  538   2HG2  VAL  69          2HG2      VAL  69 -11.115   4.943  -8.324
  539   3HG2  VAL  69          3HG2      VAL  69 -12.496   5.746  -7.578
  540    H    TYR  70           H        TYR  70 -10.656   4.548  -2.953
  541    HA   TYR  70           HA       TYR  70  -9.322   7.036  -2.254
  542   1HB   TYR  70          1HB       TYR  70  -9.099   4.478  -0.714
  543   2HB   TYR  70          2HB       TYR  70  -8.799   6.110  -0.153
  544    HD1  TYR  70           HD1      TYR  70 -10.944   3.471   0.260
  545    HD2  TYR  70           HD2      TYR  70 -11.037   7.654  -0.504
  546    HE1  TYR  70           HE1      TYR  70 -13.220   3.586   1.182
  547    HE2  TYR  70           HE2      TYR  70 -13.306   7.779   0.418
  548    HH   TYR  70           HH       TYR  70 -15.208   6.356   0.860
  549    H    LEU  71           H        LEU  71  -7.440   7.229  -3.131
  550    HA   LEU  71           HA       LEU  71  -5.973   4.867  -3.973
  551   1HB   LEU  71          1HB       LEU  71  -6.001   6.440  -5.755
  552   2HB   LEU  71          2HB       LEU  71  -5.594   7.771  -4.682
  553    HG   LEU  71           HG       LEU  71  -3.361   6.785  -4.309
  554   1HD1  LEU  71          1HD1      LEU  71  -3.856   4.454  -4.641
  555   2HD1  LEU  71          2HD1      LEU  71  -2.571   4.960  -5.737
  556   3HD1  LEU  71          3HD1      LEU  71  -4.214   4.742  -6.346
  557   1HD2  LEU  71          1HD2      LEU  71  -3.999   7.175  -7.221
  558   2HD2  LEU  71          2HD2      LEU  71  -2.398   7.253  -6.480
  559   3HD2  LEU  71          3HD2      LEU  71  -3.626   8.447  -6.058
  560    H    PHE  72           H        PHE  72  -5.045   4.129  -2.304
  561    HA   PHE  72           HA       PHE  72  -3.512   5.751  -0.521
  562   1HB   PHE  72          1HB       PHE  72  -3.754   2.810  -0.934
  563   2HB   PHE  72          2HB       PHE  72  -2.733   3.506   0.309
  564    HD1  PHE  72           HD1      PHE  72  -6.164   2.867  -0.788
  565    HD2  PHE  72           HD2      PHE  72  -3.702   4.432   2.312
  566    HE1  PHE  72           HE1      PHE  72  -8.092   2.872   0.737
  567    HE2  PHE  72           HE2      PHE  72  -5.629   4.444   3.840
  568    HZ   PHE  72           HZ       PHE  72  -7.828   3.664   3.056
  569    H    GLU  73           H        GLU  73  -1.768   6.517  -1.171
  570    HA   GLU  73           HA       GLU  73  -0.225   5.194  -3.268
  571   1HB   GLU  73          1HB       GLU  73   0.537   7.578  -3.876
  572   2HB   GLU  73          2HB       GLU  73  -1.033   7.010  -4.422
  573   1HG   GLU  73          1HG       GLU  73  -2.144   8.553  -3.236
  574   2HG   GLU  73          2HG       GLU  73  -1.102   8.362  -1.829
  575    H    LEU  74           H        LEU  74   1.610   4.644  -2.714
  576    HA   LEU  74           HA       LEU  74   2.848   5.708  -0.337
  577   1HB   LEU  74          1HB       LEU  74   3.802   3.610  -2.258
  578   2HB   LEU  74          2HB       LEU  74   4.636   4.043  -0.785
  579    HG   LEU  74           HG       LEU  74   2.557   2.141  -1.218
  580   1HD1  LEU  74          1HD1      LEU  74   4.431   1.561   0.045
  581   2HD1  LEU  74          2HD1      LEU  74   3.088   1.611   1.193
  582   3HD1  LEU  74          3HD1      LEU  74   4.238   2.952   1.113
  583   1HD2  LEU  74          1HD2      LEU  74   1.879   4.203   0.865
  584   2HD2  LEU  74          2HD2      LEU  74   1.071   2.650   0.654
  585   3HD2  LEU  74          3HD2      LEU  74   0.967   3.879  -0.611
  586    H    HIS  75           H        HIS  75   4.185   7.206  -0.460
  587    HA   HIS  75           HA       HIS  75   5.658   7.589  -2.983
  588   1HB   HIS  75          1HB       HIS  75   4.923   9.627  -0.842
  589   2HB   HIS  75          2HB       HIS  75   6.174   9.923  -2.044
  590    HD1  HIS  75           HD1      HIS  75   4.979  11.828  -3.250
  591    HD2  HIS  75           HD2      HIS  75   2.706   8.350  -3.035
  592    HE1  HIS  75           HE1      HIS  75   2.998  12.217  -4.744
  593    HE2  HIS  75           HE2      HIS  75   1.529  10.203  -4.403
  594    H    ILE  76           H        ILE  76   7.231   6.189  -2.579
  595    HA   ILE  76           HA       ILE  76   8.572   6.489   0.009
  596    HB   ILE  76           HB       ILE  76   8.503   4.064  -1.681
  597   1HG1  ILE  76          1HG1      ILE  76   6.875   4.503   0.796
  598   2HG1  ILE  76          2HG1      ILE  76   6.216   4.605  -0.866
  599   1HG2  ILE  76          1HG2      ILE  76   9.385   4.501   1.151
  600   2HG2  ILE  76          2HG2      ILE  76  10.425   4.150  -0.227
  601   3HG2  ILE  76          3HG2      ILE  76   9.299   2.926   0.360
  602   1HD1  ILE  76          1HD1      ILE  76   7.642   2.182   0.185
  603   2HD1  ILE  76          2HD1      ILE  76   6.709   2.341  -1.306
  604   3HD1  ILE  76          3HD1      ILE  76   5.899   2.407   0.258
  605    H    THR  77           H        THR  77  10.168   7.693  -0.499
  606    HA   THR  77           HA       THR  77  11.932   6.945  -2.619
  607    HB   THR  77           HB       THR  77  12.574   9.216  -2.852
  608    HG1  THR  77           HG1      THR  77  10.808  10.471  -1.241
  609   1HG2  THR  77          1HG2      THR  77  10.561  10.111  -3.713
  610   2HG2  THR  77          2HG2      THR  77   9.603   9.231  -2.521
  611   3HG2  THR  77          3HG2      THR  77  10.411   8.349  -3.824
  612    H    ASP  78           H        ASP  78  13.834   6.709  -2.169
  613    HA   ASP  78           HA       ASP  78  15.840   6.470  -1.049
  614   1HB   ASP  78          1HB       ASP  78  15.596   8.663  -0.160
  615   2HB   ASP  78          2HB       ASP  78  14.395   8.112   0.987
  616    H    ALA  79           H        ALA  79  14.635   4.490  -1.278
  617    HA   ALA  79           HA       ALA  79  13.695   3.080   1.005
  618   1HB   ALA  79          1HB       ALA  79  13.011   2.383  -1.223
  619   2HB   ALA  79          2HB       ALA  79  13.888   1.071  -0.426
  620   3HB   ALA  79          3HB       ALA  79  14.686   2.052  -1.654
  621    H    GLN  80           H        GLN  80  14.978   2.684   2.651
  622    HA   GLN  80           HA       GLN  80  17.772   2.545   2.574
  623   1HB   GLN  80          1HB       GLN  80  17.599   2.287   4.826
  624   2HB   GLN  80          2HB       GLN  80  15.909   2.687   4.542
  625   1HG   GLN  80          1HG       GLN  80  15.200   0.635   5.068
  626   2HG   GLN  80          2HG       GLN  80  16.555  -0.157   4.265
  627   1HE2  GLN  80          1HE2      GLN  80  18.563  -0.266   5.364
  628   2HE2  GLN  80          2HE2      GLN  80  18.616  -0.248   7.097
  629    HA   PRO  81           HA       PRO  81  18.570  -1.269   0.742
  630   1HB   PRO  81          1HB       PRO  81  20.841  -2.111   1.938
  631   2HB   PRO  81          2HB       PRO  81  20.789  -0.666   0.924
  632   1HG   PRO  81          1HG       PRO  81  20.706  -0.880   3.913
  633   2HG   PRO  81          2HG       PRO  81  21.659   0.220   2.897
  634   1HD   PRO  81          1HD       PRO  81  19.349   0.975   4.094
  635   2HD   PRO  81          2HD       PRO  81  19.875   1.633   2.532
  636    H    ALA  82           H        ALA  82  17.225  -1.382   3.666
  637    HA   ALA  82           HA       ALA  82  17.485  -4.301   3.847
  638   1HB   ALA  82          1HB       ALA  82  18.412  -3.145   5.818
  639   2HB   ALA  82          2HB       ALA  82  17.031  -4.161   6.224
  640   3HB   ALA  82          3HB       ALA  82  16.836  -2.412   6.108
  641    H    PHE  83           H        PHE  83  15.508  -1.930   2.796
  642    HA   PHE  83           HA       PHE  83  12.992  -2.761   4.032
  643   1HB   PHE  83          1HB       PHE  83  13.964  -0.670   2.109
  644   2HB   PHE  83          2HB       PHE  83  12.300  -1.168   1.958
  645    HD1  PHE  83           HD1      PHE  83  12.249  -1.640   5.135
  646    HD2  PHE  83           HD2      PHE  83  13.176   1.640   2.587
  647    HE1  PHE  83           HE1      PHE  83  11.713  -0.061   6.962
  648    HE2  PHE  83           HE2      PHE  83  12.613   3.208   4.392
  649    HZ   PHE  83           HZ       PHE  83  11.717   2.447   6.443
  650    H    THR  84           H        THR  84  14.985  -3.983   1.675
  651    HA   THR  84           HA       THR  84  13.495  -4.875  -0.391
  652    HB   THR  84           HB       THR  84  15.553  -6.508   1.085
  653    HG1  THR  84           HG1      THR  84  17.023  -5.579  -0.173
  654   1HG2  THR  84          1HG2      THR  84  13.905  -7.757  -0.325
  655   2HG2  THR  84          2HG2      THR  84  15.591  -7.929  -0.838
  656   3HG2  THR  84          3HG2      THR  84  14.506  -6.849  -1.716
  657    H    GLY  85           H        GLY  85  11.568  -5.293   0.062
  658   1HA   GLY  85          1HA       GLY  85  11.110  -8.015   0.970
  659   2HA   GLY  85          2HA       GLY  85  10.441  -6.808   2.052
  660    H    GLY  86           H        GLY  86   8.540  -6.324   1.760
  661   1HA   GLY  86          1HA       GLY  86   7.196  -6.209  -0.722
  662   2HA   GLY  86          2HA       GLY  86   6.839  -7.695   0.140
  663    H    TYR  87           H        TYR  87   5.773  -4.804  -0.481
  664    HA   TYR  87           HA       TYR  87   4.747  -4.091   2.140
  665   1HB   TYR  87          1HB       TYR  87   4.237  -2.873  -0.582
  666   2HB   TYR  87          2HB       TYR  87   3.723  -2.199   0.957
  667    HD1  TYR  87           HD1      TYR  87   6.903  -3.500  -0.480
  668    HD2  TYR  87           HD2      TYR  87   4.971  -0.341   1.609
  669    HE1  TYR  87           HE1      TYR  87   9.035  -2.306  -0.310
  670    HE2  TYR  87           HE2      TYR  87   7.105   0.857   1.787
  671    HH   TYR  87           HH       TYR  87   9.484   0.380   1.738
  672    H    ARG  88           H        ARG  88   2.824  -4.794   2.855
  673    HA   ARG  88           HA       ARG  88   1.130  -6.257   0.946
  674   1HB   ARG  88          1HB       ARG  88   1.487  -6.458   3.944
  675   2HB   ARG  88          2HB       ARG  88   0.108  -7.178   3.125
  676   1HG   ARG  88          1HG       ARG  88   1.443  -8.733   2.005
  677   2HG   ARG  88          2HG       ARG  88   2.922  -7.821   2.314
  678   1HD   ARG  88          1HD       ARG  88   2.524  -9.926   3.705
  679   2HD   ARG  88          2HD       ARG  88   2.990  -8.462   4.562
  680    HE   ARG  88           HE       ARG  88   0.345  -8.324   4.769
  681   1HH1  ARG  88          1HH1      ARG  88   2.484 -11.076   5.208
  682   2HH1  ARG  88          2HH1      ARG  88   1.482 -11.812   6.428
  683   1HH2  ARG  88          1HH2      ARG  88  -0.949  -9.261   6.374
  684   2HH2  ARG  88          2HH2      ARG  88  -0.473 -10.772   7.100
  685    H    CYS  89           H        CYS  89  -0.852  -5.412   0.485
  686    HA   CYS  89           HA       CYS  89  -1.908  -3.445   2.422
  687   1HB   CYS  89          1HB       CYS  89  -3.050  -3.803  -0.319
  688   2HB   CYS  89          2HB       CYS  89  -3.162  -2.416   0.747
  689    HG   CYS  89           HG       CYS  89  -0.027  -2.705   0.201
  690    H    GLU  90           H        GLU  90  -3.490  -4.120   3.623
  691    HA   GLU  90           HA       GLU  90  -5.069  -6.420   2.694
  692   1HB   GLU  90          1HB       GLU  90  -4.104  -5.729   5.465
  693   2HB   GLU  90          2HB       GLU  90  -5.294  -6.982   5.146
  694   1HG   GLU  90          1HG       GLU  90  -3.701  -8.275   3.933
  695   2HG   GLU  90          2HG       GLU  90  -2.533  -6.956   3.964
  696    H    VAL  91           H        VAL  91  -6.959  -5.524   2.049
  697    HA   VAL  91           HA       VAL  91  -8.136  -3.475   3.774
  698    HB   VAL  91           HB       VAL  91  -8.078  -2.797   1.477
  699   1HG1  VAL  91          1HG1      VAL  91  -9.670  -5.280   0.873
  700   2HG1  VAL  91          2HG1      VAL  91  -8.011  -4.947   0.372
  701   3HG1  VAL  91          3HG1      VAL  91  -9.338  -3.980  -0.274
  702   1HG2  VAL  91          1HG2      VAL  91  -9.962  -1.961   2.690
  703   2HG2  VAL  91          2HG2      VAL  91 -10.855  -3.461   2.435
  704   3HG2  VAL  91          3HG2      VAL  91 -10.512  -2.395   1.073
  705    H    SER  92           H        SER  92  -9.869  -3.713   4.833
  706    HA   SER  92           HA       SER  92 -11.420  -6.189   4.592
  707   1HB   SER  92          1HB       SER  92  -9.794  -6.574   6.393
  708   2HB   SER  92          2HB       SER  92 -10.285  -5.077   7.177
  709    HG   SER  92           HG       SER  92 -11.770  -7.474   6.869
  710    H    THR  93           H        THR  93 -13.338  -5.438   4.038
  711    HA   THR  93           HA       THR  93 -14.467  -3.204   5.589
  712    HB   THR  93           HB       THR  93 -15.158  -3.494   2.725
  713    HG1  THR  93           HG1      THR  93 -12.712  -3.410   3.241
  714   1HG2  THR  93          1HG2      THR  93 -15.372  -1.070   2.870
  715   2HG2  THR  93          2HG2      THR  93 -14.762  -1.113   4.522
  716   3HG2  THR  93          3HG2      THR  93 -16.314  -1.862   4.133
  717    H    LYS  94           H        LYS  94 -16.799  -3.226   5.597
  718    HA   LYS  94           HA       LYS  94 -18.748  -4.460   5.996
  719   1HB   LYS  94          1HB       LYS  94 -19.649  -4.901   3.526
  720   2HB   LYS  94          2HB       LYS  94 -19.530  -3.291   4.215
  721   1HG   LYS  94          1HG       LYS  94 -17.856  -2.667   2.824
  722   2HG   LYS  94          2HG       LYS  94 -17.124  -4.264   2.795
  723   1HD   LYS  94          1HD       LYS  94 -19.644  -3.483   1.334
  724   2HD   LYS  94          2HD       LYS  94 -18.038  -3.567   0.613
  725   1HE   LYS  94          1HE       LYS  94 -18.919  -5.599   0.014
  726   2HE   LYS  94          2HE       LYS  94 -18.046  -6.004   1.489
  727   1HZ   LYS  94          1HZ       LYS  94 -20.075  -6.039   2.703
  728   2HZ   LYS  94          2HZ       LYS  94 -20.305  -6.987   1.311
  729   3HZ   LYS  94          3HZ       LYS  94 -20.957  -5.418   1.399
  730    H    ASP  95           H        ASP  95 -17.749  -6.118   3.091
  731    HA   ASP  95           HA       ASP  95 -17.381  -8.618   4.391
  732   1HB   ASP  95          1HB       ASP  95 -19.861  -8.216   3.876
  733   2HB   ASP  95          2HB       ASP  95 -19.407  -8.455   2.204
  734    H    LYS  96           H        LYS  96 -16.322  -6.426   2.356
  735    HA   LYS  96           HA       LYS  96 -15.650  -8.163   0.149
  736   1HB   LYS  96          1HB       LYS  96 -16.284  -5.625  -0.267
  737   2HB   LYS  96          2HB       LYS  96 -14.718  -5.327   0.410
  738   1HG   LYS  96          1HG       LYS  96 -14.446  -5.351  -1.867
  739   2HG   LYS  96          2HG       LYS  96 -13.810  -6.872  -1.263
  740   1HD   LYS  96          1HD       LYS  96 -15.813  -8.020  -1.999
  741   2HD   LYS  96          2HD       LYS  96 -16.493  -6.487  -2.559
  742   1HE   LYS  96          1HE       LYS  96 -14.539  -6.246  -4.085
  743   2HE   LYS  96          2HE       LYS  96 -14.014  -7.855  -3.599
  744   1HZ   LYS  96          1HZ       LYS  96 -16.587  -7.221  -4.936
  745   2HZ   LYS  96          2HZ       LYS  96 -16.051  -8.765  -4.496
  746   3HZ   LYS  96          3HZ       LYS  96 -15.221  -7.890  -5.690
  747    H    PHE  97           H        PHE  97 -13.725  -8.928  -0.014
  748    HA   PHE  97           HA       PHE  97 -11.679  -8.082   1.918
  749   1HB   PHE  97          1HB       PHE  97 -13.025 -10.240   2.436
  750   2HB   PHE  97          2HB       PHE  97 -11.987 -10.967   1.225
  751    HD1  PHE  97           HD1      PHE  97 -12.167  -9.617   4.593
  752    HD2  PHE  97           HD2      PHE  97  -9.575 -11.121   1.571
  753    HE1  PHE  97           HE1      PHE  97 -10.378  -9.902   6.263
  754    HE2  PHE  97           HE2      PHE  97  -7.789 -11.410   3.233
  755    HZ   PHE  97           HZ       PHE  97  -8.192 -10.800   5.592
  756    H    ASP  98           H        ASP  98  -9.610  -8.162   1.283
  757    HA   ASP  98           HA       ASP  98  -8.599  -9.840  -0.733
  758   1HB   ASP  98          1HB       ASP  98  -9.893  -7.823  -1.980
  759   2HB   ASP  98          2HB       ASP  98  -8.320  -7.065  -1.749
  760    H    CYS  99           H        CYS  99  -6.317  -9.371  -1.217
  761    HA   CYS  99           HA       CYS  99  -5.006  -7.403   0.429
  762   1HB   CYS  99          1HB       CYS  99  -3.443  -9.157   1.409
  763   2HB   CYS  99          2HB       CYS  99  -5.050  -9.047   2.109
  764    HG   CYS  99           HG       CYS  99  -5.962 -11.290   0.493
  765    H    SER 100           H        SER 100  -3.053  -6.833  -0.338
  766    HA   SER 100           HA       SER 100  -2.416  -7.985  -2.983
  767   1HB   SER 100          1HB       SER 100  -1.656  -5.810  -3.653
  768   2HB   SER 100          2HB       SER 100  -3.183  -5.572  -2.812
  769    HG   SER 100           HG       SER 100  -1.751  -4.094  -1.988
  770    H    ASN 101           H        ASN 101  -0.259  -8.400  -3.535
  771    HA   ASN 101           HA       ASN 101   1.685  -7.997  -1.393
  772   1HB   ASN 101          1HB       ASN 101   2.633 -10.198  -1.616
  773   2HB   ASN 101          2HB       ASN 101   0.919 -10.356  -1.289
  774   1HD2  ASN 101          1HD2      ASN 101   0.145  -9.787  -4.087
  775   2HD2  ASN 101          2HD2      ASN 101   0.563 -11.215  -4.973
  776    H    PHE 102           H        PHE 102   3.228  -6.755  -2.138
  777    HA   PHE 102           HA       PHE 102   4.355  -7.285  -4.768
  778   1HB   PHE 102          1HB       PHE 102   4.352  -4.845  -5.286
  779   2HB   PHE 102          2HB       PHE 102   2.763  -5.596  -5.300
  780    HD1  PHE 102           HD1      PHE 102   4.907  -3.150  -3.756
  781    HD2  PHE 102           HD2      PHE 102   1.162  -5.139  -3.466
  782    HE1  PHE 102           HE1      PHE 102   4.117  -1.434  -2.200
  783    HE2  PHE 102           HE2      PHE 102   0.374  -3.418  -1.907
  784    HZ   PHE 102           HZ       PHE 102   1.855  -1.569  -1.268
  785    H    ASN 103           H        ASN 103   6.483  -6.759  -4.900
  786    HA   ASN 103           HA       ASN 103   7.780  -6.580  -2.360
  787   1HB   ASN 103          1HB       ASN 103   8.927  -7.357  -5.022
  788   2HB   ASN 103          2HB       ASN 103   9.631  -7.616  -3.449
  789   1HD2  ASN 103          1HD2      ASN 103   9.002  -9.506  -5.555
  790   2HD2  ASN 103          2HD2      ASN 103   7.975 -10.687  -4.827
  791    H    LEU 104           H        LEU 104   9.541  -5.310  -2.036
  792    HA   LEU 104           HA       LEU 104  10.351  -3.515  -4.208
  793   1HB   LEU 104          1HB       LEU 104   9.715  -1.834  -2.804
  794   2HB   LEU 104          2HB       LEU 104   9.939  -2.769  -1.337
  795    HG   LEU 104           HG       LEU 104  12.425  -2.481  -2.296
  796   1HD1  LEU 104          1HD1      LEU 104  12.744  -0.198  -3.015
  797   2HD1  LEU 104          2HD1      LEU 104  10.997   0.045  -2.971
  798   3HD1  LEU 104          3HD1      LEU 104  11.700  -1.090  -4.123
  799   1HD2  LEU 104          1HD2      LEU 104  11.782  -2.076   0.007
  800   2HD2  LEU 104          2HD2      LEU 104  11.022  -0.558  -0.484
  801   3HD2  LEU 104          3HD2      LEU 104  12.770  -0.753  -0.619
  802    H    THR 105           H        THR 105  12.212  -4.246  -4.927
  803    HA   THR 105           HA       THR 105  14.015  -5.493  -2.974
  804    HB   THR 105           HB       THR 105  14.501  -5.357  -5.935
  805    HG1  THR 105           HG1      THR 105  12.648  -6.869  -4.514
  806   1HG2  THR 105          1HG2      THR 105  16.359  -6.060  -4.498
  807   2HG2  THR 105          2HG2      THR 105  15.799  -7.391  -5.509
  808   3HG2  THR 105          3HG2      THR 105  15.345  -7.324  -3.804
  809    H    VAL 106           H        VAL 106  14.863  -3.744  -1.944
  810    HA   VAL 106           HA       VAL 106  15.921  -1.542  -3.415
  811    HB   VAL 106           HB       VAL 106  15.087  -1.018  -1.226
  812   1HG1  VAL 106          1HG1      VAL 106  17.057  -2.983  -0.158
  813   2HG1  VAL 106          2HG1      VAL 106  15.291  -3.082  -0.100
  814   3HG1  VAL 106          3HG1      VAL 106  16.138  -1.828   0.811
  815   1HG2  VAL 106          1HG2      VAL 106  17.057   0.084  -0.245
  816   2HG2  VAL 106          2HG2      VAL 106  16.878   0.347  -1.981
  817   3HG2  VAL 106          3HG2      VAL 106  18.066  -0.812  -1.381
  818    H    HIS 107           H        HIS 107  17.574  -1.666  -4.420
  819    HA   HIS 107           HA       HIS 107  19.394  -3.856  -4.286
  820   1HB   HIS 107          1HB       HIS 107  19.303  -1.457  -6.123
  821   2HB   HIS 107          2HB       HIS 107  20.489  -2.746  -6.252
  822    HD1  HIS 107           HD1      HIS 107  18.858  -2.311  -8.677
  823    HD2  HIS 107           HD2      HIS 107  17.567  -4.785  -5.584
  824    HE1  HIS 107           HE1      HIS 107  17.181  -3.874  -9.707
  825    HE2  HIS 107           HE2      HIS 107  16.512  -5.454  -7.861
  826    H    GLU 108           H        GLU 108  20.454  -3.657  -2.494
  827    HA   GLU 108           HA       GLU 108  22.083  -1.408  -1.843
  828   1HB   GLU 108          1HB       GLU 108  21.295  -3.113  -0.186
  829   2HB   GLU 108          2HB       GLU 108  22.366  -4.287  -0.934
  830   1HG   GLU 108          1HG       GLU 108  24.295  -2.919  -0.319
  831   2HG   GLU 108          2HG       GLU 108  23.212  -1.743   0.426
  832    H    ALA 109           H        ALA 109  22.462  -4.416  -3.605
  833    HA   ALA 109           HA       ALA 109  23.921  -5.118  -5.185
  834   1HB   ALA 109          1HB       ALA 109  24.786  -2.230  -5.268
  835   2HB   ALA 109          2HB       ALA 109  23.479  -2.949  -6.209
  836   3HB   ALA 109          3HB       ALA 109  25.144  -3.458  -6.483
  837    H    MET 110           H        MET 110  24.666  -5.199  -2.393
  838    HA   MET 110           HA       MET 110  27.593  -5.271  -2.692
  839   1HB   MET 110          1HB       MET 110  25.973  -4.817  -0.172
  840   2HB   MET 110          2HB       MET 110  27.720  -5.022  -0.219
  841   1HG   MET 110          1HG       MET 110  26.168  -2.794  -1.523
  842   2HG   MET 110          2HG       MET 110  27.079  -2.676  -0.017
  843   1HE   MET 110          1HE       MET 110  30.759  -3.199  -1.275
  844   2HE   MET 110          2HE       MET 110  29.647  -4.447  -0.715
  845   3HE   MET 110          3HE       MET 110  29.727  -2.898   0.122
  Start of MODEL   14
    1    H    ASP   1           H        ASP   1 -19.187 -11.429   1.096
    2    HA   ASP   1           HA       ASP   1 -17.818  -9.612   0.538
    3   1HB   ASP   1          1HB       ASP   1 -16.821 -11.237  -1.821
    4   2HB   ASP   1          2HB       ASP   1 -16.367  -9.594  -1.399
    5    H    ASP   2           H        ASP   2 -19.359  -8.359   0.030
    6    HA   ASP   2           HA       ASP   2 -21.372  -8.872  -1.930
    7   1HB   ASP   2          1HB       ASP   2 -21.849  -7.760   0.140
    8   2HB   ASP   2          2HB       ASP   2 -20.586  -6.577  -0.149
    9    HA   PRO   3           HA       PRO   3 -19.491  -6.983  -5.538
   10   1HB   PRO   3          1HB       PRO   3 -21.521  -5.399  -6.513
   11   2HB   PRO   3          2HB       PRO   3 -21.366  -7.136  -6.794
   12   1HG   PRO   3          1HG       PRO   3 -23.045  -5.679  -4.797
   13   2HG   PRO   3          2HG       PRO   3 -23.448  -7.105  -5.774
   14   1HD   PRO   3          1HD       PRO   3 -22.783  -7.322  -3.179
   15   2HD   PRO   3          2HD       PRO   3 -22.301  -8.550  -4.363
   16    H    ILE   4           H        ILE   4 -18.176  -5.803  -3.944
   17    HA   ILE   4           HA       ILE   4 -18.577  -2.896  -3.959
   18    HB   ILE   4           HB       ILE   4 -16.760  -4.783  -2.482
   19   1HG1  ILE   4          1HG1      ILE   4 -17.537  -3.371  -0.535
   20   2HG1  ILE   4          2HG1      ILE   4 -18.595  -2.522  -1.657
   21   1HG2  ILE   4          1HG2      ILE   4 -15.262  -3.041  -3.326
   22   2HG2  ILE   4          2HG2      ILE   4 -15.466  -2.903  -1.581
   23   3HG2  ILE   4          3HG2      ILE   4 -16.312  -1.791  -2.658
   24   1HD1  ILE   4          1HD1      ILE   4 -19.745  -4.596  -2.145
   25   2HD1  ILE   4          2HD1      ILE   4 -19.785  -4.215  -0.422
   26   3HD1  ILE   4          3HD1      ILE   4 -18.674  -5.448  -1.029
   27    H    GLY   5           H        GLY   5 -15.956  -5.203  -4.486
   28   1HA   GLY   5          1HA       GLY   5 -14.451  -5.303  -6.313
   29   2HA   GLY   5          2HA       GLY   5 -15.141  -3.797  -6.915
   30    H    LEU   6           H        LEU   6 -13.980  -4.738  -3.819
   31    HA   LEU   6           HA       LEU   6 -13.135  -2.316  -2.915
   32   1HB   LEU   6          1HB       LEU   6 -13.480  -4.686  -1.855
   33   2HB   LEU   6          2HB       LEU   6 -11.762  -4.849  -2.134
   34    HG   LEU   6           HG       LEU   6 -11.270  -3.071  -0.642
   35   1HD1  LEU   6          1HD1      LEU   6 -13.226  -1.641  -1.299
   36   2HD1  LEU   6          2HD1      LEU   6 -12.870  -1.681   0.426
   37   3HD1  LEU   6          3HD1      LEU   6 -14.208  -2.631  -0.218
   38   1HD2  LEU   6          1HD2      LEU   6 -13.396  -4.851   0.485
   39   2HD2  LEU   6          2HD2      LEU   6 -12.200  -3.953   1.419
   40   3HD2  LEU   6          3HD2      LEU   6 -11.682  -5.237   0.325
   41    H    PHE   7           H        PHE   7 -11.230  -4.832  -4.495
   42    HA   PHE   7           HA       PHE   7  -8.939  -3.097  -4.623
   43   1HB   PHE   7          1HB       PHE   7  -9.386  -5.893  -4.680
   44   2HB   PHE   7          2HB       PHE   7  -8.582  -5.444  -6.184
   45    HD1  PHE   7           HD1      PHE   7  -7.928  -3.316  -3.348
   46    HD2  PHE   7           HD2      PHE   7  -6.698  -6.858  -5.363
   47    HE1  PHE   7           HE1      PHE   7  -5.773  -3.231  -2.172
   48    HE2  PHE   7           HE2      PHE   7  -4.537  -6.771  -4.199
   49    HZ   PHE   7           HZ       PHE   7  -4.069  -4.965  -2.608
   50    H    VAL   8           H        VAL   8  -9.851  -1.488  -5.844
   51    HA   VAL   8           HA       VAL   8 -10.790  -1.848  -8.510
   52    HB   VAL   8           HB       VAL   8  -9.581   0.662  -7.332
   53   1HG1  VAL   8          1HG1      VAL   8  -9.977   0.731  -9.748
   54   2HG1  VAL   8          2HG1      VAL   8 -11.066   1.820  -8.888
   55   3HG1  VAL   8          3HG1      VAL   8 -11.659   0.271  -9.486
   56   1HG2  VAL   8          1HG2      VAL   8 -11.263  -0.205  -5.794
   57   2HG2  VAL   8          2HG2      VAL   8 -12.421  -0.330  -7.121
   58   3HG2  VAL   8          3HG2      VAL   8 -11.848   1.254  -6.602
   59    H    MET   9           H        MET   9  -7.746  -0.930  -7.035
   60    HA   MET   9           HA       MET   9  -6.304  -2.216  -9.190
   61   1HB   MET   9          1HB       MET   9  -6.351   0.120  -9.955
   62   2HB   MET   9          2HB       MET   9  -5.731   0.634  -8.394
   63   1HG   MET   9          1HG       MET   9  -3.699  -0.774  -8.844
   64   2HG   MET   9          2HG       MET   9  -4.298  -0.963 -10.492
   65   1HE   MET   9          1HE       MET   9  -1.469   0.251  -9.453
   66   2HE   MET   9          2HE       MET   9  -1.237   1.610 -10.553
   67   3HE   MET   9          3HE       MET   9  -1.795   0.056 -11.177
   68    H    ARG  10           H        ARG  10  -4.476  -3.158  -8.438
   69    HA   ARG  10           HA       ARG  10  -4.026  -2.910  -5.560
   70   1HB   ARG  10          1HB       ARG  10  -2.893  -5.123  -5.795
   71   2HB   ARG  10          2HB       ARG  10  -4.606  -5.140  -6.166
   72   1HG   ARG  10          1HG       ARG  10  -3.985  -4.998  -8.592
   73   2HG   ARG  10          2HG       ARG  10  -2.307  -5.248  -8.103
   74   1HD   ARG  10          1HD       ARG  10  -3.174  -7.379  -8.703
   75   2HD   ARG  10          2HD       ARG  10  -3.059  -7.344  -6.943
   76    HE   ARG  10           HE       ARG  10  -5.606  -6.591  -7.352
   77   1HH1  ARG  10          1HH1      ARG  10  -3.721  -9.288  -8.575
   78   2HH1  ARG  10          2HH1      ARG  10  -5.106 -10.328  -8.751
   79   1HH2  ARG  10          1HH2      ARG  10  -7.431  -8.005  -7.557
   80   2HH2  ARG  10          2HH2      ARG  10  -7.182  -9.604  -8.184
   81    HA   PRO  11           HA       PRO  11  -0.180  -0.957  -6.381
   82   1HB   PRO  11          1HB       PRO  11   0.995  -1.497  -3.933
   83   2HB   PRO  11          2HB       PRO  11  -0.082  -0.151  -4.275
   84   1HG   PRO  11          1HG       PRO  11  -0.588  -2.605  -2.811
   85   2HG   PRO  11          2HG       PRO  11  -1.435  -1.065  -2.728
   86   1HD   PRO  11          1HD       PRO  11  -2.339  -3.402  -3.978
   87   2HD   PRO  11          2HD       PRO  11  -3.019  -1.777  -4.166
   88    H    GLN  12           H        GLN  12   2.077  -1.402  -6.620
   89    HA   GLN  12           HA       GLN  12   2.484  -4.226  -7.306
   90   1HB   GLN  12          1HB       GLN  12   2.821  -1.687  -8.717
   91   2HB   GLN  12          2HB       GLN  12   4.154  -2.821  -8.927
   92   1HG   GLN  12          1HG       GLN  12   2.514  -3.074 -10.659
   93   2HG   GLN  12          2HG       GLN  12   2.616  -4.524  -9.670
   94   1HE2  GLN  12          1HE2      GLN  12   0.875  -4.874  -8.066
   95   2HE2  GLN  12          2HE2      GLN  12  -0.687  -4.219  -8.420
   96    H    ASP  13           H        ASP  13   4.846  -4.839  -7.612
   97    HA   ASP  13           HA       ASP  13   6.384  -4.366  -5.394
   98   1HB   ASP  13          1HB       ASP  13   7.225  -5.442  -8.091
   99   2HB   ASP  13          2HB       ASP  13   7.894  -5.827  -6.525
  100    H    GLY  14           H        GLY  14   8.781  -4.357  -6.942
  101   1HA   GLY  14          1HA       GLY  14   9.436  -2.474  -8.666
  102   2HA   GLY  14          2HA       GLY  14   9.207  -1.512  -7.229
  103    H    GLU  15           H        GLU  15  11.446  -2.487  -8.980
  104    HA   GLU  15           HA       GLU  15  13.282  -3.291  -6.839
  105   1HB   GLU  15          1HB       GLU  15  13.498  -3.715  -9.822
  106   2HB   GLU  15          2HB       GLU  15  14.821  -3.991  -8.701
  107   1HG   GLU  15          1HG       GLU  15  13.136  -5.560  -7.502
  108   2HG   GLU  15          2HG       GLU  15  12.293  -5.526  -9.053
  109    H    VAL  16           H        VAL  16  14.668  -1.759  -6.199
  110    HA   VAL  16           HA       VAL  16  15.144   0.486  -7.897
  111    HB   VAL  16           HB       VAL  16  14.413   2.018  -6.312
  112   1HG1  VAL  16          1HG1      VAL  16  12.381  -0.175  -6.284
  113   2HG1  VAL  16          2HG1      VAL  16  12.551   1.093  -7.498
  114   3HG1  VAL  16          3HG1      VAL  16  12.066   1.505  -5.852
  115   1HG2  VAL  16          1HG2      VAL  16  14.189  -0.215  -4.308
  116   2HG2  VAL  16          2HG2      VAL  16  13.602   1.422  -4.026
  117   3HG2  VAL  16          3HG2      VAL  16  15.326   1.140  -4.275
  118    H    THR  17           H        THR  17  16.852   1.697  -6.979
  119    HA   THR  17           HA       THR  17  18.823   0.055  -5.603
  120    HB   THR  17           HB       THR  17  19.554   2.784  -6.470
  121    HG1  THR  17           HG1      THR  17  19.750   1.497  -8.701
  122   1HG2  THR  17          1HG2      THR  17  20.798   0.082  -6.985
  123   2HG2  THR  17          2HG2      THR  17  21.198   1.153  -5.641
  124   3HG2  THR  17          3HG2      THR  17  21.544   1.651  -7.297
  125    H    VAL  18           H        VAL  18  19.906   0.966  -3.739
  126    HA   VAL  18           HA       VAL  18  18.340   2.509  -1.991
  127    HB   VAL  18           HB       VAL  18  21.293   2.345  -1.747
  128   1HG1  VAL  18          1HG1      VAL  18  20.836   2.440   0.646
  129   2HG1  VAL  18          2HG1      VAL  18  19.106   2.455   0.302
  130   3HG1  VAL  18          3HG1      VAL  18  20.124   3.802  -0.218
  131   1HG2  VAL  18          1HG2      VAL  18  19.391   0.189  -0.852
  132   2HG2  VAL  18          2HG2      VAL  18  21.118   0.248  -0.502
  133   3HG2  VAL  18          3HG2      VAL  18  20.562   0.044  -2.164
  134    H    GLY  19           H        GLY  19  17.894   4.329  -2.634
  135   1HA   GLY  19          1HA       GLY  19  18.983   6.634  -2.179
  136   2HA   GLY  19          2HA       GLY  19  19.949   6.209  -3.580
  137    H    GLY  20           H        GLY  20  17.088   4.890  -4.450
  138   1HA   GLY  20          1HA       GLY  20  16.202   7.410  -5.628
  139   2HA   GLY  20          2HA       GLY  20  15.784   5.815  -6.180
  140    H    SER  21           H        SER  21  13.931   5.428  -5.915
  141    HA   SER  21           HA       SER  21  12.573   5.781  -3.457
  142   1HB   SER  21          1HB       SER  21  10.643   6.717  -4.742
  143   2HB   SER  21          2HB       SER  21  11.993   7.797  -4.523
  144    HG   SER  21           HG       SER  21  10.859   7.280  -6.756
  145    H    ILE  22           H        ILE  22  10.445   4.893  -3.695
  146    HA   ILE  22           HA       ILE  22   9.935   2.969  -5.730
  147    HB   ILE  22           HB       ILE  22  10.986   1.629  -4.080
  148   1HG1  ILE  22          1HG1      ILE  22   9.130   0.038  -3.676
  149   2HG1  ILE  22          2HG1      ILE  22   8.017   1.276  -4.230
  150   1HG2  ILE  22          1HG2      ILE  22  10.608   2.951  -2.077
  151   2HG2  ILE  22          2HG2      ILE  22  10.089   1.282  -1.848
  152   3HG2  ILE  22          3HG2      ILE  22   8.894   2.544  -2.143
  153   1HD1  ILE  22          1HD1      ILE  22   9.134   1.281  -6.412
  154   2HD1  ILE  22          2HD1      ILE  22   8.468  -0.297  -5.987
  155   3HD1  ILE  22          3HD1      ILE  22  10.202  -0.003  -5.848
  156    H    THR  23           H        THR  23   7.882   2.665  -5.942
  157    HA   THR  23           HA       THR  23   6.045   4.420  -4.531
  158    HB   THR  23           HB       THR  23   6.267   4.587  -7.524
  159    HG1  THR  23           HG1      THR  23   7.784   5.742  -5.607
  160   1HG2  THR  23          1HG2      THR  23   4.057   5.119  -6.609
  161   2HG2  THR  23          2HG2      THR  23   4.847   6.560  -7.249
  162   3HG2  THR  23          3HG2      THR  23   4.796   6.286  -5.506
  163    H    PHE  24           H        PHE  24   4.262   3.525  -4.206
  164    HA   PHE  24           HA       PHE  24   3.174   1.584  -6.136
  165   1HB   PHE  24          1HB       PHE  24   2.444   1.417  -3.249
  166   2HB   PHE  24          2HB       PHE  24   2.456   0.179  -4.473
  167    HD1  PHE  24           HD1      PHE  24   4.913  -0.346  -5.398
  168    HD2  PHE  24           HD2      PHE  24   3.969   1.230  -1.572
  169    HE1  PHE  24           HE1      PHE  24   7.028  -1.238  -4.512
  170    HE2  PHE  24           HE2      PHE  24   6.077   0.354  -0.681
  171    HZ   PHE  24           HZ       PHE  24   7.610  -0.888  -2.147
  172    H    SER  25           H        SER  25   0.925   1.659  -6.275
  173    HA   SER  25           HA       SER  25  -0.513   3.753  -4.874
  174   1HB   SER  25          1HB       SER  25  -1.557   3.274  -7.526
  175   2HB   SER  25          2HB       SER  25  -1.146   4.790  -6.743
  176    HG   SER  25           HG       SER  25   0.109   3.910  -8.737
  177    H    ALA  26           H        ALA  26  -2.116   2.938  -3.871
  178    HA   ALA  26           HA       ALA  26  -3.309   0.376  -4.725
  179   1HB   ALA  26          1HB       ALA  26  -3.872  -0.048  -2.398
  180   2HB   ALA  26          2HB       ALA  26  -3.219   1.521  -1.926
  181   3HB   ALA  26          3HB       ALA  26  -2.143   0.279  -2.537
  182    H    ARG  27           H        ARG  27  -5.286   0.593  -5.545
  183    HA   ARG  27           HA       ARG  27  -6.833   2.987  -4.816
  184   1HB   ARG  27          1HB       ARG  27  -7.043   1.214  -7.259
  185   2HB   ARG  27          2HB       ARG  27  -8.034   2.633  -6.943
  186   1HG   ARG  27          1HG       ARG  27  -6.046   4.047  -6.999
  187   2HG   ARG  27          2HG       ARG  27  -5.046   2.624  -7.303
  188   1HD   ARG  27          1HD       ARG  27  -6.337   2.211  -9.377
  189   2HD   ARG  27          2HD       ARG  27  -7.227   3.706  -9.086
  190    HE   ARG  27           HE       ARG  27  -4.489   4.296  -9.087
  191   1HH1  ARG  27          1HH1      ARG  27  -6.988   3.282 -11.331
  192   2HH1  ARG  27          2HH1      ARG  27  -6.195   3.978 -12.711
  193   1HH2  ARG  27          1HH2      ARG  27  -3.451   5.199 -10.896
  194   2HH2  ARG  27          2HH2      ARG  27  -4.174   5.062 -12.474
  195    H    VAL  28           H        VAL  28  -8.490   2.658  -3.442
  196    HA   VAL  28           HA       VAL  28  -9.682  -0.006  -3.385
  197    HB   VAL  28           HB       VAL  28  -9.576   1.813  -0.995
  198   1HG1  VAL  28          1HG1      VAL  28  -9.943  -1.174  -1.196
  199   2HG1  VAL  28          2HG1      VAL  28 -11.277  -0.022  -1.131
  200   3HG1  VAL  28          3HG1      VAL  28 -10.160  -0.160   0.233
  201   1HG2  VAL  28          1HG2      VAL  28  -7.705   0.387  -0.187
  202   2HG2  VAL  28          2HG2      VAL  28  -7.286   1.395  -1.570
  203   3HG2  VAL  28          3HG2      VAL  28  -7.607  -0.325  -1.796
  204    H    ALA  29           H        ALA  29 -11.615  -0.058  -3.794
  205    HA   ALA  29           HA       ALA  29 -13.298   1.958  -4.575
  206   1HB   ALA  29          1HB       ALA  29 -13.587  -0.406  -5.165
  207   2HB   ALA  29          2HB       ALA  29 -15.070   0.298  -4.521
  208   3HB   ALA  29          3HB       ALA  29 -14.079  -0.748  -3.506
  209    H    GLY  30           H        GLY  30 -13.813   3.581  -3.339
  210   1HA   GLY  30          1HA       GLY  30 -14.309   3.704  -0.610
  211   2HA   GLY  30          2HA       GLY  30 -15.042   4.777  -1.798
  212    H    ALA  31           H        ALA  31 -16.662   3.204  -3.194
  213    HA   ALA  31           HA       ALA  31 -18.528   1.955  -3.346
  214   1HB   ALA  31          1HB       ALA  31 -17.701   0.573  -0.822
  215   2HB   ALA  31          2HB       ALA  31 -16.911   0.291  -2.370
  216   3HB   ALA  31          3HB       ALA  31 -18.625  -0.080  -2.180
  217    H    SER  32           H        SER  32 -20.426   1.019  -1.995
  218    HA   SER  32           HA       SER  32 -21.431   3.138  -0.229
  219   1HB   SER  32          1HB       SER  32 -23.015   0.938  -1.584
  220   2HB   SER  32          2HB       SER  32 -23.642   2.413  -0.840
  221    HG   SER  32           HG       SER  32 -23.370   3.350  -2.697
  222    H    LEU  33           H        LEU  33 -19.568   1.042   0.493
  223    HA   LEU  33           HA       LEU  33 -20.663  -1.072   1.899
  224   1HB   LEU  33          1HB       LEU  33 -18.514  -1.253   3.046
  225   2HB   LEU  33          2HB       LEU  33 -18.335  -1.021   1.326
  226    HG   LEU  33           HG       LEU  33 -17.158   0.433   3.504
  227   1HD1  LEU  33          1HD1      LEU  33 -16.157  -0.586   1.430
  228   2HD1  LEU  33          2HD1      LEU  33 -15.610   1.042   1.823
  229   3HD1  LEU  33          3HD1      LEU  33 -16.789   0.796   0.538
  230   1HD2  LEU  33          1HD2      LEU  33 -18.177   2.356   1.453
  231   2HD2  LEU  33          2HD2      LEU  33 -17.533   2.660   3.063
  232   3HD2  LEU  33          3HD2      LEU  33 -19.157   1.999   2.875
  233    H    LEU  34           H        LEU  34 -20.108  -1.312   4.383
  234    HA   LEU  34           HA       LEU  34 -22.097   0.309   5.657
  235   1HB   LEU  34          1HB       LEU  34 -21.678  -2.121   6.122
  236   2HB   LEU  34          2HB       LEU  34 -20.209  -1.639   6.955
  237    HG   LEU  34           HG       LEU  34 -21.704  -0.172   8.401
  238   1HD1  LEU  34          1HD1      LEU  34 -24.033  -0.886   8.607
  239   2HD1  LEU  34          2HD1      LEU  34 -23.822  -1.951   7.218
  240   3HD1  LEU  34          3HD1      LEU  34 -23.687  -0.205   7.017
  241   1HD2  LEU  34          1HD2      LEU  34 -20.652  -2.186   9.225
  242   2HD2  LEU  34          2HD2      LEU  34 -21.946  -3.170   8.538
  243   3HD2  LEU  34          3HD2      LEU  34 -22.290  -2.056   9.862
  244    H    LYS  35           H        LYS  35 -18.640  -0.039   5.823
  245    HA   LYS  35           HA       LYS  35 -18.389   2.670   6.790
  246   1HB   LYS  35          1HB       LYS  35 -16.519   1.697   8.388
  247   2HB   LYS  35          2HB       LYS  35 -18.190   1.793   8.917
  248   1HG   LYS  35          1HG       LYS  35 -17.662  -0.331   9.569
  249   2HG   LYS  35          2HG       LYS  35 -18.329  -0.642   7.969
  250   1HD   LYS  35          1HD       LYS  35 -16.370  -1.931   8.075
  251   2HD   LYS  35          2HD       LYS  35 -15.924  -0.510   7.125
  252   1HE   LYS  35          1HE       LYS  35 -14.189  -1.010   8.743
  253   2HE   LYS  35          2HE       LYS  35 -14.968   0.520   9.136
  254   1HZ   LYS  35          1HZ       LYS  35 -14.551  -0.950  11.074
  255   2HZ   LYS  35          2HZ       LYS  35 -15.661  -2.063  10.436
  256   3HZ   LYS  35          3HZ       LYS  35 -16.180  -0.515  10.890
  257    HA   PRO  36           HA       PRO  36 -15.571   2.989   3.461
  258   1HB   PRO  36          1HB       PRO  36 -13.907   4.434   5.495
  259   2HB   PRO  36          2HB       PRO  36 -14.298   4.895   3.831
  260   1HG   PRO  36          1HG       PRO  36 -15.577   6.012   5.863
  261   2HG   PRO  36          2HG       PRO  36 -16.451   5.566   4.385
  262   1HD   PRO  36          1HD       PRO  36 -16.463   4.269   7.062
  263   2HD   PRO  36          2HD       PRO  36 -17.751   4.358   5.846
  264    HA   PRO  37           HA       PRO  37 -13.084  -0.530   3.917
  265   1HB   PRO  37          1HB       PRO  37 -10.958   0.354   2.261
  266   2HB   PRO  37          2HB       PRO  37 -12.255  -0.775   1.871
  267   1HG   PRO  37          1HG       PRO  37 -11.939   1.951   0.995
  268   2HG   PRO  37          2HG       PRO  37 -13.167   0.766   0.522
  269   1HD   PRO  37          1HD       PRO  37 -13.531   3.060   2.122
  270   2HD   PRO  37          2HD       PRO  37 -14.706   1.762   1.799
  271    H    VAL  38           H        VAL  38 -11.640  -1.214   5.250
  272    HA   VAL  38           HA       VAL  38  -9.733   0.644   6.432
  273    HB   VAL  38           HB       VAL  38 -10.067  -2.125   7.409
  274   1HG1  VAL  38          1HG1      VAL  38  -9.456   0.456   8.806
  275   2HG1  VAL  38          2HG1      VAL  38  -8.290  -0.762   8.296
  276   3HG1  VAL  38          3HG1      VAL  38  -9.460  -1.142   9.556
  277   1HG2  VAL  38          1HG2      VAL  38 -11.855  -1.517   8.942
  278   2HG2  VAL  38          2HG2      VAL  38 -12.366  -1.337   7.263
  279   3HG2  VAL  38          3HG2      VAL  38 -11.939   0.085   8.212
  280    H    VAL  39           H        VAL  39  -8.120   0.571   5.274
  281    HA   VAL  39           HA       VAL  39  -7.083  -1.911   4.191
  282    HB   VAL  39           HB       VAL  39  -6.024   0.723   3.332
  283   1HG1  VAL  39          1HG1      VAL  39  -6.477  -1.875   1.900
  284   2HG1  VAL  39          2HG1      VAL  39  -4.945  -1.280   2.548
  285   3HG1  VAL  39          3HG1      VAL  39  -5.722  -0.446   1.197
  286   1HG2  VAL  39          1HG2      VAL  39  -8.532  -0.419   2.124
  287   2HG2  VAL  39          2HG2      VAL  39  -7.708   1.074   1.663
  288   3HG2  VAL  39          3HG2      VAL  39  -8.499   0.949   3.235
  289    H    LYS  40           H        LYS  40  -5.635  -2.601   5.432
  290    HA   LYS  40           HA       LYS  40  -3.777  -0.855   6.760
  291   1HB   LYS  40          1HB       LYS  40  -3.062  -2.974   7.932
  292   2HB   LYS  40          2HB       LYS  40  -4.652  -2.375   8.316
  293   1HG   LYS  40          1HG       LYS  40  -5.200  -4.549   8.033
  294   2HG   LYS  40          2HG       LYS  40  -5.289  -4.056   6.346
  295   1HD   LYS  40          1HD       LYS  40  -3.955  -5.885   6.079
  296   2HD   LYS  40          2HD       LYS  40  -2.688  -4.709   6.444
  297   1HE   LYS  40          1HE       LYS  40  -2.412  -5.484   8.603
  298   2HE   LYS  40          2HE       LYS  40  -4.028  -6.179   8.677
  299   1HZ   LYS  40          1HZ       LYS  40  -1.682  -7.258   7.210
  300   2HZ   LYS  40          2HZ       LYS  40  -3.256  -7.872   7.048
  301   3HZ   LYS  40          3HZ       LYS  40  -2.466  -7.944   8.545
  302    H    TRP  41           H        TRP  41  -2.099  -0.497   5.974
  303    HA   TRP  41           HA       TRP  41  -0.872  -2.080   3.923
  304   1HB   TRP  41          1HB       TRP  41  -0.183   0.500   5.278
  305   2HB   TRP  41          2HB       TRP  41   0.872  -0.267   4.090
  306    HD1  TRP  41           HD1      TRP  41  -2.494   1.506   4.411
  307    HE1  TRP  41           HE1      TRP  41  -3.156   2.296   2.008
  308    HE3  TRP  41           HE3      TRP  41   1.022  -0.988   1.712
  309    HZ2  TRP  41           HZ2      TRP  41  -2.351   1.783  -0.636
  310    HZ3  TRP  41           HZ3      TRP  41   1.002  -0.831  -0.736
  311    HH2  TRP  41           HH2      TRP  41  -0.666   0.534  -1.877
  312    H    PHE  42           H        PHE  42   1.006  -3.002   3.981
  313    HA   PHE  42           HA       PHE  42   2.460  -3.228   6.509
  314   1HB   PHE  42          1HB       PHE  42   1.150  -5.357   5.898
  315   2HB   PHE  42          2HB       PHE  42   2.194  -5.473   4.489
  316    HD1  PHE  42           HD1      PHE  42   4.456  -6.213   4.679
  317    HD2  PHE  42           HD2      PHE  42   2.048  -5.676   8.142
  318    HE1  PHE  42           HE1      PHE  42   6.101  -7.474   6.010
  319    HE2  PHE  42           HE2      PHE  42   3.685  -6.933   9.480
  320    HZ   PHE  42           HZ       PHE  42   5.716  -7.832   8.414
  321    H    LYS  43           H        LYS  43   4.669  -3.102   6.145
  322    HA   LYS  43           HA       LYS  43   5.278  -2.045   3.467
  323   1HB   LYS  43          1HB       LYS  43   5.468  -0.354   5.232
  324   2HB   LYS  43          2HB       LYS  43   6.453  -1.435   6.216
  325   1HG   LYS  43          1HG       LYS  43   8.303  -1.178   4.760
  326   2HG   LYS  43          2HG       LYS  43   7.308  -0.370   3.544
  327   1HD   LYS  43          1HD       LYS  43   6.919   1.477   5.111
  328   2HD   LYS  43          2HD       LYS  43   7.941   0.674   6.307
  329   1HE   LYS  43          1HE       LYS  43   9.209   2.375   5.157
  330   2HE   LYS  43          2HE       LYS  43   9.823   0.776   4.738
  331   1HZ   LYS  43          1HZ       LYS  43   8.692   0.871   2.645
  332   2HZ   LYS  43          2HZ       LYS  43   9.612   2.278   2.813
  333   3HZ   LYS  43          3HZ       LYS  43   7.941   2.335   3.053
  334    H    GLY  44           H        GLY  44   7.586  -2.527   2.824
  335   1HA   GLY  44          1HA       GLY  44   8.630  -4.647   2.129
  336   2HA   GLY  44          2HA       GLY  44   9.697  -3.640   3.065
  337    H    LYS  45           H        LYS  45  10.928  -5.553   3.449
  338    HA   LYS  45           HA       LYS  45  10.000  -8.065   3.762
  339   1HB   LYS  45          1HB       LYS  45  12.228  -8.527   4.879
  340   2HB   LYS  45          2HB       LYS  45  12.243  -7.732   3.316
  341   1HG   LYS  45          1HG       LYS  45  12.647  -5.629   4.309
  342   2HG   LYS  45          2HG       LYS  45  12.565  -6.334   5.924
  343   1HD   LYS  45          1HD       LYS  45  14.567  -7.056   3.779
  344   2HD   LYS  45          2HD       LYS  45  14.898  -6.078   5.210
  345   1HE   LYS  45          1HE       LYS  45  14.587  -7.909   6.657
  346   2HE   LYS  45          2HE       LYS  45  13.816  -8.869   5.398
  347   1HZ   LYS  45          1HZ       LYS  45  16.134  -9.529   5.919
  348   2HZ   LYS  45          2HZ       LYS  45  16.668  -8.034   5.323
  349   3HZ   LYS  45          3HZ       LYS  45  15.892  -9.131   4.295
  350    H    TRP  46           H        TRP  46   9.490  -5.818   6.332
  351    HA   TRP  46           HA       TRP  46   8.225  -7.870   7.900
  352   1HB   TRP  46          1HB       TRP  46   9.576  -7.017   9.940
  353   2HB   TRP  46          2HB       TRP  46  10.217  -8.323   8.952
  354    HD1  TRP  46           HD1      TRP  46  12.115  -7.635   7.194
  355    HE1  TRP  46           HE1      TRP  46  13.823  -5.756   7.152
  356    HE3  TRP  46           HE3      TRP  46  10.100  -4.718  10.853
  357    HZ2  TRP  46           HZ2      TRP  46  14.324  -3.335   8.591
  358    HZ3  TRP  46           HZ3      TRP  46  11.260  -2.641  11.480
  359    HH2  TRP  46           HH2      TRP  46  13.323  -1.967  10.367
  360    H    VAL  47           H        VAL  47   8.149  -4.810   6.885
  361    HA   VAL  47           HA       VAL  47   7.996  -3.496   9.377
  362    HB   VAL  47           HB       VAL  47   7.884  -1.675   7.209
  363   1HG1  VAL  47          1HG1      VAL  47   9.933  -0.843   8.204
  364   2HG1  VAL  47          2HG1      VAL  47  10.127  -2.358   9.084
  365   3HG1  VAL  47          3HG1      VAL  47   8.778  -1.282   9.465
  366   1HG2  VAL  47          1HG2      VAL  47  10.127  -2.150   6.203
  367   2HG2  VAL  47          2HG2      VAL  47   8.848  -3.261   5.717
  368   3HG2  VAL  47          3HG2      VAL  47  10.034  -3.756   6.927
  369    H    ASP  48           H        ASP  48   6.653  -1.752   9.440
  370    HA   ASP  48           HA       ASP  48   3.977  -2.065   8.417
  371   1HB   ASP  48          1HB       ASP  48   3.514  -0.567  10.423
  372   2HB   ASP  48          2HB       ASP  48   3.920  -2.230  10.801
  373    H    LEU  49           H        LEU  49   3.051  -0.068   7.681
  374    HA   LEU  49           HA       LEU  49   4.939   2.087   7.220
  375   1HB   LEU  49          1HB       LEU  49   2.105   1.735   6.270
  376   2HB   LEU  49          2HB       LEU  49   3.108   3.131   5.930
  377    HG   LEU  49           HG       LEU  49   4.715   1.343   4.868
  378   1HD1  LEU  49          1HD1      LEU  49   3.165  -0.549   5.561
  379   2HD1  LEU  49          2HD1      LEU  49   3.658  -0.483   3.869
  380   3HD1  LEU  49          3HD1      LEU  49   2.047   0.072   4.333
  381   1HD2  LEU  49          1HD2      LEU  49   3.527   3.237   3.817
  382   2HD2  LEU  49          2HD2      LEU  49   2.162   2.134   3.531
  383   3HD2  LEU  49          3HD2      LEU  49   3.730   1.821   2.777
  384    H    SER  50           H        SER  50   2.305   1.407   9.309
  385    HA   SER  50           HA       SER  50   1.137   3.929   9.395
  386   1HB   SER  50          1HB       SER  50   0.088   1.760  10.183
  387   2HB   SER  50          2HB       SER  50   1.105   1.881  11.619
  388    HG   SER  50           HG       SER  50   0.059   4.166  11.614
  389    H    SER  51           H        SER  51   4.030   2.676  10.695
  390    HA   SER  51           HA       SER  51   4.040   4.693  12.693
  391   1HB   SER  51          1HB       SER  51   5.839   2.355  12.236
  392   2HB   SER  51          2HB       SER  51   6.096   3.546  13.495
  393    HG   SER  51           HG       SER  51   4.470   1.430  13.491
  394    H    LYS  52           H        LYS  52   5.338   3.981   9.709
  395    HA   LYS  52           HA       LYS  52   7.717   5.599  10.070
  396   1HB   LYS  52          1HB       LYS  52   7.477   4.224   7.541
  397   2HB   LYS  52          2HB       LYS  52   8.751   4.141   8.737
  398   1HG   LYS  52          1HG       LYS  52   6.217   2.544   8.693
  399   2HG   LYS  52          2HG       LYS  52   7.816   1.974   8.267
  400   1HD   LYS  52          1HD       LYS  52   7.363   3.074  11.001
  401   2HD   LYS  52          2HD       LYS  52   6.775   1.452  10.619
  402   1HE   LYS  52          1HE       LYS  52   8.911   1.119  11.526
  403   2HE   LYS  52          2HE       LYS  52   9.141   0.981   9.785
  404   1HZ   LYS  52          1HZ       LYS  52  10.871   2.300  10.866
  405   2HZ   LYS  52          2HZ       LYS  52   9.707   3.412  11.395
  406   3HZ   LYS  52          3HZ       LYS  52  10.006   3.219   9.740
  407    H    VAL  53           H        VAL  53   4.915   5.280   8.118
  408    HA   VAL  53           HA       VAL  53   4.986   6.891   6.069
  409    HB   VAL  53           HB       VAL  53   2.807   6.745   8.164
  410   1HG1  VAL  53          1HG1      VAL  53   1.318   7.417   6.172
  411   2HG1  VAL  53          2HG1      VAL  53   2.796   8.097   5.473
  412   3HG1  VAL  53          3HG1      VAL  53   2.188   8.708   7.014
  413   1HG2  VAL  53          1HG2      VAL  53   1.758   5.253   6.563
  414   2HG2  VAL  53          2HG2      VAL  53   3.348   4.673   7.066
  415   3HG2  VAL  53          3HG2      VAL  53   3.147   5.441   5.491
  416    H    GLY  54           H        GLY  54   6.399   8.366   6.150
  417   1HA   GLY  54          1HA       GLY  54   5.597  10.928   7.281
  418   2HA   GLY  54          2HA       GLY  54   7.174  10.324   7.772
  419    H    GLN  55           H        GLN  55   8.873  10.932   6.520
  420    HA   GLN  55           HA       GLN  55   8.204  12.330   4.043
  421   1HB   GLN  55          1HB       GLN  55  10.473  12.501   5.956
  422   2HB   GLN  55          2HB       GLN  55  10.757  12.968   4.285
  423   1HG   GLN  55          1HG       GLN  55  10.194  14.935   5.459
  424   2HG   GLN  55          2HG       GLN  55   8.786  14.500   4.483
  425   1HE2  GLN  55          1HE2      GLN  55   6.908  13.971   5.462
  426   2HE2  GLN  55          2HE2      GLN  55   6.642  14.096   7.170
  427    H    HIS  56           H        HIS  56   9.923   9.458   5.039
  428    HA   HIS  56           HA       HIS  56  11.055   9.188   2.350
  429   1HB   HIS  56          1HB       HIS  56  12.310   7.316   3.178
  430   2HB   HIS  56          2HB       HIS  56  12.398   8.576   4.397
  431    HD1  HIS  56           HD1      HIS  56  10.974   5.191   3.776
  432    HD2  HIS  56           HD2      HIS  56  11.194   7.984   6.835
  433    HE1  HIS  56           HE1      HIS  56  10.059   4.028   5.812
  434    HE2  HIS  56           HE2      HIS  56  10.491   5.657   7.707
  435    H    LEU  57           H        LEU  57   8.728   7.674   4.420
  436    HA   LEU  57           HA       LEU  57   7.439   6.538   2.055
  437   1HB   LEU  57          1HB       LEU  57   8.193   4.671   3.331
  438   2HB   LEU  57          2HB       LEU  57   7.814   5.411   4.843
  439    HG   LEU  57           HG       LEU  57   6.438   3.389   3.528
  440   1HD1  LEU  57          1HD1      LEU  57   5.690   5.176   5.805
  441   2HD1  LEU  57          2HD1      LEU  57   6.526   3.626   5.860
  442   3HD1  LEU  57          3HD1      LEU  57   4.829   3.700   5.383
  443   1HD2  LEU  57          1HD2      LEU  57   4.786   5.912   3.384
  444   2HD2  LEU  57          2HD2      LEU  57   4.164   4.272   3.226
  445   3HD2  LEU  57          3HD2      LEU  57   5.285   4.904   2.027
  446    H    GLN  58           H        GLN  58   6.000   8.115   1.742
  447    HA   GLN  58           HA       GLN  58   4.257   8.656   3.989
  448   1HB   GLN  58          1HB       GLN  58   3.260  10.264   2.058
  449   2HB   GLN  58          2HB       GLN  58   4.461  10.774   3.223
  450   1HG   GLN  58          1HG       GLN  58   5.269   9.680   0.557
  451   2HG   GLN  58          2HG       GLN  58   4.801  11.361   0.758
  452   1HE2  GLN  58          1HE2      GLN  58   7.361   9.136   1.002
  453   2HE2  GLN  58          2HE2      GLN  58   8.464  10.159   1.862
  454    H    LEU  59           H        LEU  59   2.772   7.329   4.069
  455    HA   LEU  59           HA       LEU  59   1.644   5.971   1.778
  456   1HB   LEU  59          1HB       LEU  59   2.271   4.774   3.989
  457   2HB   LEU  59          2HB       LEU  59   0.974   5.663   4.738
  458    HG   LEU  59           HG       LEU  59   0.821   3.369   2.810
  459   1HD1  LEU  59          1HD1      LEU  59  -0.849   2.812   4.734
  460   2HD1  LEU  59          2HD1      LEU  59   0.073   4.062   5.600
  461   3HD1  LEU  59          3HD1      LEU  59   0.896   2.628   4.950
  462   1HD2  LEU  59          1HD2      LEU  59  -0.699   5.022   1.891
  463   2HD2  LEU  59          2HD2      LEU  59  -1.428   5.266   3.484
  464   3HD2  LEU  59          3HD2      LEU  59  -1.596   3.710   2.668
  465    H    HIS  60           H        HIS  60   0.545   7.540   0.827
  466    HA   HIS  60           HA       HIS  60  -0.962   9.430   2.316
  467   1HB   HIS  60          1HB       HIS  60   0.658  10.249   0.662
  468   2HB   HIS  60          2HB       HIS  60  -0.215   9.401  -0.595
  469    HD1  HIS  60           HD1      HIS  60  -1.160  12.004   2.050
  470    HD2  HIS  60           HD2      HIS  60  -1.735  11.131  -1.979
  471    HE1  HIS  60           HE1      HIS  60  -2.544  13.895   1.133
  472    HE2  HIS  60           HE2      HIS  60  -2.737  13.425  -1.340
  473    H    ASP  61           H        ASP  61  -2.805  10.072   1.478
  474    HA   ASP  61           HA       ASP  61  -4.581   7.978   0.555
  475   1HB   ASP  61          1HB       ASP  61  -5.827  10.098   2.057
  476   2HB   ASP  61          2HB       ASP  61  -6.041   8.378   2.152
  477    H    SER  62           H        SER  62  -5.283   8.459  -1.137
  478    HA   SER  62           HA       SER  62  -6.209  11.134  -1.803
  479   1HB   SER  62          1HB       SER  62  -5.771   8.862  -3.719
  480   2HB   SER  62          2HB       SER  62  -6.238  10.497  -4.127
  481    HG   SER  62           HG       SER  62  -3.821   9.692  -4.104
  482    H    TYR  63           H        TYR  63  -8.338  11.267  -2.549
  483    HA   TYR  63           HA       TYR  63 -10.028   9.119  -1.634
  484   1HB   TYR  63          1HB       TYR  63  -9.158  10.652   0.289
  485   2HB   TYR  63          2HB       TYR  63 -10.300  11.796  -0.373
  486    HD1  TYR  63           HD1      TYR  63 -12.752  10.674  -0.789
  487    HD2  TYR  63           HD2      TYR  63  -9.862   9.437   2.082
  488    HE1  TYR  63           HE1      TYR  63 -14.541   9.710   0.601
  489    HE2  TYR  63           HE2      TYR  63 -11.636   8.462   3.469
  490    HH   TYR  63           HH       TYR  63 -14.059   8.761   3.819
  491    H    ASP  64           H        ASP  64 -11.092   9.036  -3.446
  492    HA   ASP  64           HA       ASP  64 -12.402  11.456  -4.413
  493   1HB   ASP  64          1HB       ASP  64 -10.726  10.221  -5.930
  494   2HB   ASP  64          2HB       ASP  64 -11.993   9.022  -6.107
  495    H    ARG  65           H        ARG  65 -14.432  11.447  -4.546
  496    HA   ARG  65           HA       ARG  65 -15.903   9.013  -3.795
  497   1HB   ARG  65          1HB       ARG  65 -16.148  11.781  -2.718
  498   2HB   ARG  65          2HB       ARG  65 -17.587  10.763  -2.785
  499   1HG   ARG  65          1HG       ARG  65 -15.000  10.164  -1.369
  500   2HG   ARG  65          2HG       ARG  65 -16.583  10.477  -0.641
  501   1HD   ARG  65          1HD       ARG  65 -16.139   8.245  -2.595
  502   2HD   ARG  65          2HD       ARG  65 -15.843   8.024  -0.859
  503    HE   ARG  65           HE       ARG  65 -18.451   9.083  -1.592
  504   1HH1  ARG  65          1HH1      ARG  65 -16.588   6.258  -0.672
  505   2HH1  ARG  65          2HH1      ARG  65 -17.994   5.297  -0.325
  506   1HH2  ARG  65          1HH2      ARG  65 -20.279   7.852  -1.077
  507   2HH2  ARG  65          2HH2      ARG  65 -20.098   6.209  -0.531
  508    H    ALA  66           H        ALA  66 -15.270  10.496  -6.278
  509    HA   ALA  66           HA       ALA  66 -17.966  10.364  -7.401
  510   1HB   ALA  66          1HB       ALA  66 -17.090  12.621  -7.651
  511   2HB   ALA  66          2HB       ALA  66 -17.179  11.832  -9.224
  512   3HB   ALA  66          3HB       ALA  66 -15.627  11.983  -8.404
  513    H    SER  67           H        SER  67 -14.624   9.556  -7.616
  514    HA   SER  67           HA       SER  67 -15.086   7.671  -9.780
  515   1HB   SER  67          1HB       SER  67 -13.000   9.086  -9.709
  516   2HB   SER  67          2HB       SER  67 -12.523   8.206  -8.260
  517    HG   SER  67           HG       SER  67 -12.841   6.266  -9.701
  518    H    LYS  68           H        LYS  68 -15.102   7.874  -6.409
  519    HA   LYS  68           HA       LYS  68 -15.665   6.353  -4.807
  520   1HB   LYS  68          1HB       LYS  68 -17.162   5.409  -6.602
  521   2HB   LYS  68          2HB       LYS  68 -15.834   4.354  -7.058
  522   1HG   LYS  68          1HG       LYS  68 -15.882   3.531  -4.659
  523   2HG   LYS  68          2HG       LYS  68 -17.436   4.354  -4.537
  524   1HD   LYS  68          1HD       LYS  68 -18.491   2.756  -5.696
  525   2HD   LYS  68          2HD       LYS  68 -17.209   2.681  -6.911
  526   1HE   LYS  68          1HE       LYS  68 -15.849   1.337  -5.329
  527   2HE   LYS  68          2HE       LYS  68 -17.196   1.353  -4.189
  528   1HZ   LYS  68          1HZ       LYS  68 -17.307   0.216  -6.947
  529   2HZ   LYS  68          2HZ       LYS  68 -18.544   0.160  -5.784
  530   3HZ   LYS  68          3HZ       LYS  68 -17.103  -0.691  -5.532
  531    H    VAL  69           H        VAL  69 -12.980   6.903  -5.613
  532    HA   VAL  69           HA       VAL  69 -11.719   4.368  -4.863
  533    HB   VAL  69           HB       VAL  69 -10.355   6.331  -6.657
  534   1HG1  VAL  69          1HG1      VAL  69  -9.843   3.444  -5.996
  535   2HG1  VAL  69          2HG1      VAL  69  -8.922   4.838  -5.433
  536   3HG1  VAL  69          3HG1      VAL  69  -8.907   4.403  -7.143
  537   1HG2  VAL  69          1HG2      VAL  69 -12.296   5.579  -7.901
  538   2HG2  VAL  69          2HG2      VAL  69 -11.928   3.899  -7.508
  539   3HG2  VAL  69          3HG2      VAL  69 -10.846   4.820  -8.557
  540    H    TYR  70           H        TYR  70 -10.697   4.565  -3.110
  541    HA   TYR  70           HA       TYR  70  -9.426   7.085  -2.407
  542   1HB   TYR  70          1HB       TYR  70  -9.421   4.635  -0.689
  543   2HB   TYR  70          2HB       TYR  70  -9.121   6.287  -0.210
  544    HD1  TYR  70           HD1      TYR  70 -11.004   4.531   1.283
  545    HD2  TYR  70           HD2      TYR  70 -11.674   7.142  -2.010
  546    HE1  TYR  70           HE1      TYR  70 -13.343   4.778   1.967
  547    HE2  TYR  70           HE2      TYR  70 -14.023   7.398  -1.329
  548    HH   TYR  70           HH       TYR  70 -15.717   6.014   0.004
  549    H    LEU  71           H        LEU  71  -7.576   7.199  -3.278
  550    HA   LEU  71           HA       LEU  71  -6.062   4.809  -3.900
  551   1HB   LEU  71          1HB       LEU  71  -6.267   6.185  -5.825
  552   2HB   LEU  71          2HB       LEU  71  -5.905   7.637  -4.916
  553    HG   LEU  71           HG       LEU  71  -3.583   7.016  -4.716
  554   1HD1  LEU  71          1HD1      LEU  71  -3.766   4.627  -4.456
  555   2HD1  LEU  71          2HD1      LEU  71  -2.706   4.985  -5.821
  556   3HD1  LEU  71          3HD1      LEU  71  -4.367   4.457  -6.108
  557   1HD2  LEU  71          1HD2      LEU  71  -4.223   8.183  -6.743
  558   2HD2  LEU  71          2HD2      LEU  71  -4.596   6.650  -7.532
  559   3HD2  LEU  71          3HD2      LEU  71  -2.933   7.029  -7.085
  560    H    PHE  72           H        PHE  72  -5.055   4.281  -2.190
  561    HA   PHE  72           HA       PHE  72  -3.594   6.182  -0.614
  562   1HB   PHE  72          1HB       PHE  72  -3.818   3.195  -0.527
  563   2HB   PHE  72          2HB       PHE  72  -2.861   4.117   0.615
  564    HD1  PHE  72           HD1      PHE  72  -6.194   3.055  -0.373
  565    HD2  PHE  72           HD2      PHE  72  -3.976   5.551   2.275
  566    HE1  PHE  72           HE1      PHE  72  -8.188   3.330   1.032
  567    HE2  PHE  72           HE2      PHE  72  -5.974   5.821   3.691
  568    HZ   PHE  72           HZ       PHE  72  -8.058   4.667   3.114
  569    H    GLU  73           H        GLU  73  -1.783   6.777  -1.238
  570    HA   GLU  73           HA       GLU  73  -0.328   5.166  -3.182
  571   1HB   GLU  73          1HB       GLU  73   0.463   7.403  -4.134
  572   2HB   GLU  73          2HB       GLU  73  -1.149   6.840  -4.530
  573   1HG   GLU  73          1HG       GLU  73  -2.075   8.339  -2.830
  574   2HG   GLU  73          2HG       GLU  73  -0.448   8.924  -2.479
  575    H    LEU  74           H        LEU  74   1.555   4.758  -2.805
  576    HA   LEU  74           HA       LEU  74   2.797   5.661  -0.363
  577   1HB   LEU  74          1HB       LEU  74   3.659   3.580  -2.359
  578   2HB   LEU  74          2HB       LEU  74   4.489   3.910  -0.854
  579    HG   LEU  74           HG       LEU  74   3.157   1.886  -0.632
  580   1HD1  LEU  74          1HD1      LEU  74   1.846   2.493   1.303
  581   2HD1  LEU  74          2HD1      LEU  74   1.847   4.184   0.798
  582   3HD1  LEU  74          3HD1      LEU  74   3.356   3.411   1.282
  583   1HD2  LEU  74          1HD2      LEU  74   0.756   3.561  -1.304
  584   2HD2  LEU  74          2HD2      LEU  74   0.783   1.847  -0.902
  585   3HD2  LEU  74          3HD2      LEU  74   1.523   2.409  -2.399
  586    H    HIS  75           H        HIS  75   4.201   7.130  -0.454
  587    HA   HIS  75           HA       HIS  75   5.834   7.317  -2.882
  588   1HB   HIS  75          1HB       HIS  75   5.363   9.541  -0.855
  589   2HB   HIS  75          2HB       HIS  75   6.347   9.651  -2.309
  590    HD1  HIS  75           HD1      HIS  75   3.606  11.263  -1.395
  591    HD2  HIS  75           HD2      HIS  75   4.124   8.472  -4.440
  592    HE1  HIS  75           HE1      HIS  75   1.727  11.670  -3.016
  593    HE2  HIS  75           HE2      HIS  75   1.978   9.880  -4.776
  594    H    ILE  76           H        ILE  76   7.138   5.734  -2.187
  595    HA   ILE  76           HA       ILE  76   8.470   6.326   0.356
  596    HB   ILE  76           HB       ILE  76   8.249   3.706  -1.053
  597   1HG1  ILE  76          1HG1      ILE  76   6.867   4.660   1.436
  598   2HG1  ILE  76          2HG1      ILE  76   6.117   4.609  -0.162
  599   1HG2  ILE  76          1HG2      ILE  76  10.287   3.873   0.307
  600   2HG2  ILE  76          2HG2      ILE  76   9.134   2.761   1.045
  601   3HG2  ILE  76          3HG2      ILE  76   9.316   4.394   1.685
  602   1HD1  ILE  76          1HD1      ILE  76   5.456   2.706   1.174
  603   2HD1  ILE  76          2HD1      ILE  76   7.148   2.252   1.385
  604   3HD1  ILE  76          3HD1      ILE  76   6.411   2.194  -0.217
  605    H    THR  77           H        THR  77  10.010   7.434  -0.175
  606    HA   THR  77           HA       THR  77  11.754   6.783  -2.350
  607    HB   THR  77           HB       THR  77  12.143   9.097  -2.660
  608    HG1  THR  77           HG1      THR  77  11.728   9.426  -0.179
  609   1HG2  THR  77          1HG2      THR  77   9.996   9.848  -3.362
  610   2HG2  THR  77          2HG2      THR  77   9.200   8.837  -2.152
  611   3HG2  THR  77          3HG2      THR  77  10.019   8.084  -3.531
  612    H    ASP  78           H        ASP  78  13.706   6.716  -1.921
  613    HA   ASP  78           HA       ASP  78  15.724   6.648  -0.797
  614   1HB   ASP  78          1HB       ASP  78  15.378   8.764   0.199
  615   2HB   ASP  78          2HB       ASP  78  14.123   8.126   1.243
  616    H    ALA  79           H        ALA  79  14.698   4.623  -1.159
  617    HA   ALA  79           HA       ALA  79  13.752   3.079   1.050
  618   1HB   ALA  79          1HB       ALA  79  12.993   2.510  -1.187
  619   2HB   ALA  79          2HB       ALA  79  13.921   1.169  -0.515
  620   3HB   ALA  79          3HB       ALA  79  14.656   2.239  -1.707
  621    H    GLN  80           H        GLN  80  15.288   3.218   2.588
  622    HA   GLN  80           HA       GLN  80  18.016   2.901   2.332
  623   1HB   GLN  80          1HB       GLN  80  18.015   2.800   4.617
  624   2HB   GLN  80          2HB       GLN  80  16.365   3.363   4.372
  625   1HG   GLN  80          1HG       GLN  80  15.492   1.518   5.242
  626   2HG   GLN  80          2HG       GLN  80  16.583   0.462   4.341
  627   1HE2  GLN  80          1HE2      GLN  80  18.577  -0.064   5.207
  628   2HE2  GLN  80          2HE2      GLN  80  18.927   0.129   6.886
  629    HA   PRO  81           HA       PRO  81  18.467  -1.225   0.959
  630   1HB   PRO  81          1HB       PRO  81  20.767  -2.041   2.165
  631   2HB   PRO  81          2HB       PRO  81  20.760  -0.832   0.872
  632   1HG   PRO  81          1HG       PRO  81  20.885  -0.426   3.842
  633   2HG   PRO  81          2HG       PRO  81  21.855   0.349   2.573
  634   1HD   PRO  81          1HD       PRO  81  19.721   1.560   3.715
  635   2HD   PRO  81          2HD       PRO  81  20.152   1.818   2.009
  636    H    ALA  82           H        ALA  82  18.286  -3.426   1.636
  637    HA   ALA  82           HA       ALA  82  17.379  -5.076   2.903
  638   1HB   ALA  82          1HB       ALA  82  19.353  -4.769   4.303
  639   2HB   ALA  82          2HB       ALA  82  17.941  -5.167   5.285
  640   3HB   ALA  82          3HB       ALA  82  18.523  -3.505   5.211
  641    H    PHE  83           H        PHE  83  15.945  -2.382   2.374
  642    HA   PHE  83           HA       PHE  83  13.929  -2.451   4.492
  643   1HB   PHE  83          1HB       PHE  83  14.723  -0.557   2.562
  644   2HB   PHE  83          2HB       PHE  83  13.139  -1.111   2.039
  645    HD1  PHE  83           HD1      PHE  83  12.397  -1.648   5.132
  646    HD2  PHE  83           HD2      PHE  83  13.754   1.659   2.808
  647    HE1  PHE  83           HE1      PHE  83  11.398  -0.082   6.756
  648    HE2  PHE  83           HE2      PHE  83  12.761   3.217   4.415
  649    HZ   PHE  83           HZ       PHE  83  11.580   2.355   6.400
  650    H    THR  84           H        THR  84  14.807  -4.163   1.849
  651    HA   THR  84           HA       THR  84  12.341  -4.353   0.598
  652    HB   THR  84           HB       THR  84  13.735  -5.549  -0.993
  653    HG1  THR  84           HG1      THR  84  15.649  -5.818   0.177
  654   1HG2  THR  84          1HG2      THR  84  12.822  -3.032  -0.332
  655   2HG2  THR  84          2HG2      THR  84  13.306  -3.549  -1.928
  656   3HG2  THR  84          3HG2      THR  84  14.466  -2.745  -0.854
  657    H    GLY  85           H        GLY  85  11.796  -5.866  -0.337
  658   1HA   GLY  85          1HA       GLY  85  11.326  -8.403   0.701
  659   2HA   GLY  85          2HA       GLY  85  10.833  -7.352   2.008
  660    H    GLY  86           H        GLY  86   8.834  -6.535   1.985
  661   1HA   GLY  86          1HA       GLY  86   7.272  -6.433  -0.365
  662   2HA   GLY  86          2HA       GLY  86   6.973  -7.920   0.495
  663    H    TYR  87           H        TYR  87   5.877  -5.080  -0.089
  664    HA   TYR  87           HA       TYR  87   4.722  -4.308   2.472
  665   1HB   TYR  87          1HB       TYR  87   4.294  -3.324  -0.366
  666   2HB   TYR  87          2HB       TYR  87   3.642  -2.574   1.084
  667    HD1  TYR  87           HD1      TYR  87   7.027  -3.711  -0.132
  668    HD2  TYR  87           HD2      TYR  87   4.710  -0.688   1.764
  669    HE1  TYR  87           HE1      TYR  87   9.021  -2.296   0.035
  670    HE2  TYR  87           HE2      TYR  87   6.708   0.717   1.949
  671    HH   TYR  87           HH       TYR  87   9.610   0.026   0.291
  672    H    ARG  88           H        ARG  88   2.755  -5.211   3.140
  673    HA   ARG  88           HA       ARG  88   1.239  -6.724   1.121
  674   1HB   ARG  88          1HB       ARG  88   1.357  -7.000   4.135
  675   2HB   ARG  88          2HB       ARG  88   0.148  -7.805   3.149
  676   1HG   ARG  88          1HG       ARG  88   1.967  -8.963   1.939
  677   2HG   ARG  88          2HG       ARG  88   3.125  -8.218   3.046
  678   1HD   ARG  88          1HD       ARG  88   2.418 -10.557   3.647
  679   2HD   ARG  88          2HD       ARG  88   2.201  -9.354   4.918
  680    HE   ARG  88           HE       ARG  88  -0.186  -9.296   4.262
  681   1HH1  ARG  88          1HH1      ARG  88   1.729 -12.121   3.467
  682   2HH1  ARG  88          2HH1      ARG  88   0.354 -13.167   3.341
  683   1HH2  ARG  88          1HH2      ARG  88  -2.006 -10.679   4.115
  684   2HH2  ARG  88          2HH2      ARG  88  -1.757 -12.356   3.699
  685    H    CYS  89           H        CYS  89  -0.261  -5.403   0.311
  686    HA   CYS  89           HA       CYS  89  -1.663  -3.567   2.081
  687   1HB   CYS  89          1HB       CYS  89  -0.890  -3.074  -0.358
  688   2HB   CYS  89          2HB       CYS  89  -2.351  -3.950  -0.800
  689    HG   CYS  89           HG       CYS  89  -2.070  -1.011   0.871
  690    H    GLU  90           H        GLU  90  -3.566  -3.978   2.888
  691    HA   GLU  90           HA       GLU  90  -5.070  -6.284   1.936
  692   1HB   GLU  90          1HB       GLU  90  -3.173  -6.851   3.607
  693   2HB   GLU  90          2HB       GLU  90  -4.202  -6.093   4.803
  694   1HG   GLU  90          1HG       GLU  90  -5.903  -7.728   4.485
  695   2HG   GLU  90          2HG       GLU  90  -5.047  -8.415   3.101
  696    H    VAL  91           H        VAL  91  -7.024  -5.347   1.686
  697    HA   VAL  91           HA       VAL  91  -7.910  -3.421   3.716
  698    HB   VAL  91           HB       VAL  91  -7.998  -2.423   1.563
  699   1HG1  VAL  91          1HG1      VAL  91  -7.920  -4.414   0.178
  700   2HG1  VAL  91          2HG1      VAL  91  -9.247  -3.366  -0.324
  701   3HG1  VAL  91          3HG1      VAL  91  -9.579  -4.811   0.633
  702   1HG2  VAL  91          1HG2      VAL  91 -10.416  -1.970   1.272
  703   2HG2  VAL  91          2HG2      VAL  91  -9.856  -1.832   2.937
  704   3HG2  VAL  91          3HG2      VAL  91 -10.750  -3.263   2.429
  705    H    SER  92           H        SER  92  -9.871  -3.596   4.692
  706    HA   SER  92           HA       SER  92 -11.376  -6.076   4.314
  707   1HB   SER  92          1HB       SER  92 -10.381  -5.124   7.019
  708   2HB   SER  92          2HB       SER  92 -11.357  -6.562   6.711
  709    HG   SER  92           HG       SER  92  -9.223  -6.710   5.151
  710    H    THR  93           H        THR  93 -13.317  -5.345   3.840
  711    HA   THR  93           HA       THR  93 -14.480  -3.147   5.437
  712    HB   THR  93           HB       THR  93 -15.255  -3.374   2.625
  713    HG1  THR  93           HG1      THR  93 -12.774  -3.417   2.967
  714   1HG2  THR  93          1HG2      THR  93 -16.283  -1.748   4.016
  715   2HG2  THR  93          2HG2      THR  93 -15.202  -0.898   2.908
  716   3HG2  THR  93          3HG2      THR  93 -14.716  -1.164   4.575
  717    H    LYS  94           H        LYS  94 -16.695  -3.213   5.630
  718    HA   LYS  94           HA       LYS  94 -18.505  -4.467   6.330
  719   1HB   LYS  94          1HB       LYS  94 -19.794  -5.022   4.059
  720   2HB   LYS  94          2HB       LYS  94 -19.674  -3.416   4.741
  721   1HG   LYS  94          1HG       LYS  94 -19.242  -3.088   2.492
  722   2HG   LYS  94          2HG       LYS  94 -17.630  -3.138   3.184
  723   1HD   LYS  94          1HD       LYS  94 -17.907  -4.346   1.029
  724   2HD   LYS  94          2HD       LYS  94 -17.268  -5.326   2.346
  725   1HE   LYS  94          1HE       LYS  94 -19.009  -6.405   0.866
  726   2HE   LYS  94          2HE       LYS  94 -19.278  -6.497   2.599
  727   1HZ   LYS  94          1HZ       LYS  94 -20.985  -4.896   2.488
  728   2HZ   LYS  94          2HZ       LYS  94 -21.262  -5.949   1.189
  729   3HZ   LYS  94          3HZ       LYS  94 -20.572  -4.426   0.908
  730    H    ASP  95           H        ASP  95 -17.634  -6.179   3.427
  731    HA   ASP  95           HA       ASP  95 -17.680  -8.741   4.679
  732   1HB   ASP  95          1HB       ASP  95 -20.039  -8.002   4.114
  733   2HB   ASP  95          2HB       ASP  95 -19.579  -8.115   2.432
  734    H    LYS  96           H        LYS  96 -16.357  -6.600   2.577
  735    HA   LYS  96           HA       LYS  96 -15.592  -8.634   0.673
  736   1HB   LYS  96          1HB       LYS  96 -15.799  -5.674   0.224
  737   2HB   LYS  96          2HB       LYS  96 -14.561  -6.579  -0.554
  738   1HG   LYS  96          1HG       LYS  96 -16.794  -8.095  -1.011
  739   2HG   LYS  96          2HG       LYS  96 -17.356  -6.426  -1.159
  740   1HD   LYS  96          1HD       LYS  96 -16.566  -7.243  -3.304
  741   2HD   LYS  96          2HD       LYS  96 -15.513  -5.958  -2.710
  742   1HE   LYS  96          1HE       LYS  96 -14.062  -7.827  -1.760
  743   2HE   LYS  96          2HE       LYS  96 -15.005  -8.919  -2.774
  744   1HZ   LYS  96          1HZ       LYS  96 -14.306  -6.864  -4.419
  745   2HZ   LYS  96          2HZ       LYS  96 -13.611  -8.414  -4.391
  746   3HZ   LYS  96          3HZ       LYS  96 -12.894  -7.150  -3.508
  747    H    PHE  97           H        PHE  97 -13.620  -9.050   0.338
  748    HA   PHE  97           HA       PHE  97 -11.563  -7.717   1.929
  749   1HB   PHE  97          1HB       PHE  97 -12.348  -9.756   3.048
  750   2HB   PHE  97          2HB       PHE  97 -11.912 -10.695   1.625
  751    HD1  PHE  97           HD1      PHE  97 -10.532  -8.620   4.368
  752    HD2  PHE  97           HD2      PHE  97  -9.713 -11.408   1.260
  753    HE1  PHE  97           HE1      PHE  97  -8.249  -8.920   5.244
  754    HE2  PHE  97           HE2      PHE  97  -7.437 -11.708   2.123
  755    HZ   PHE  97           HZ       PHE  97  -6.699 -10.399   4.145
  756    H    ASP  98           H        ASP  98  -9.664  -7.479   0.975
  757    HA   ASP  98           HA       ASP  98  -8.922  -8.938  -1.406
  758   1HB   ASP  98          1HB       ASP  98  -9.590  -6.008  -1.480
  759   2HB   ASP  98          2HB       ASP  98  -8.360  -6.655  -2.548
  760    H    CYS  99           H        CYS  99  -6.698  -8.817  -1.806
  761    HA   CYS  99           HA       CYS  99  -5.048  -7.102  -0.165
  762   1HB   CYS  99          1HB       CYS  99  -3.717  -9.038   0.703
  763   2HB   CYS  99          2HB       CYS  99  -5.331  -8.897   1.385
  764    HG   CYS  99           HG       CYS  99  -5.431 -11.497   1.129
  765    H    SER 100           H        SER 100  -2.850  -7.079  -0.792
  766    HA   SER 100           HA       SER 100  -2.268  -8.327  -3.386
  767   1HB   SER 100          1HB       SER 100  -1.425  -6.174  -4.234
  768   2HB   SER 100          2HB       SER 100  -3.126  -6.068  -3.821
  769    HG   SER 100           HG       SER 100  -1.206  -5.393  -1.900
  770    H    ASN 101           H        ASN 101  -0.315  -9.159  -3.472
  771    HA   ASN 101           HA       ASN 101   1.625  -8.469  -1.389
  772   1HB   ASN 101          1HB       ASN 101   2.753 -10.631  -2.286
  773   2HB   ASN 101          2HB       ASN 101   1.306 -10.773  -1.299
  774   1HD2  ASN 101          1HD2      ASN 101   1.363  -9.852  -4.732
  775   2HD2  ASN 101          2HD2      ASN 101   0.536 -11.273  -5.287
  776    H    PHE 102           H        PHE 102   3.207  -7.084  -1.945
  777    HA   PHE 102           HA       PHE 102   4.395  -7.381  -4.580
  778   1HB   PHE 102          1HB       PHE 102   4.375  -4.890  -4.890
  779   2HB   PHE 102          2HB       PHE 102   2.838  -5.709  -5.112
  780    HD1  PHE 102           HD1      PHE 102   4.686  -3.272  -3.189
  781    HD2  PHE 102           HD2      PHE 102   1.087  -5.511  -3.441
  782    HE1  PHE 102           HE1      PHE 102   3.613  -1.715  -1.634
  783    HE2  PHE 102           HE2      PHE 102   0.006  -3.953  -1.894
  784    HZ   PHE 102           HZ       PHE 102   1.271  -2.056  -0.974
  785    H    ASN 103           H        ASN 103   6.468  -6.966  -4.618
  786    HA   ASN 103           HA       ASN 103   7.750  -6.733  -2.055
  787   1HB   ASN 103          1HB       ASN 103   8.734  -7.684  -4.729
  788   2HB   ASN 103          2HB       ASN 103   9.675  -7.673  -3.266
  789   1HD2  ASN 103          1HD2      ASN 103   8.837  -9.864  -5.031
  790   2HD2  ASN 103          2HD2      ASN 103   8.055 -10.996  -3.988
  791    H    LEU 104           H        LEU 104   9.581  -5.447  -1.836
  792    HA   LEU 104           HA       LEU 104  10.086  -3.594  -4.017
  793   1HB   LEU 104          1HB       LEU 104   9.470  -2.054  -2.415
  794   2HB   LEU 104          2HB       LEU 104   9.908  -3.043  -1.059
  795    HG   LEU 104           HG       LEU 104  12.243  -2.533  -2.063
  796   1HD1  LEU 104          1HD1      LEU 104  12.441  -0.294  -2.935
  797   2HD1  LEU 104          2HD1      LEU 104  10.684  -0.158  -2.928
  798   3HD1  LEU 104          3HD1      LEU 104  11.472  -1.334  -3.978
  799   1HD2  LEU 104          1HD2      LEU 104  11.396  -2.012   0.221
  800   2HD2  LEU 104          2HD2      LEU 104  10.894  -0.432  -0.415
  801   3HD2  LEU 104          3HD2      LEU 104  12.607  -0.894  -0.420
  802    H    THR 105           H        THR 105  12.132  -3.889  -4.716
  803    HA   THR 105           HA       THR 105  13.816  -5.294  -2.787
  804    HB   THR 105           HB       THR 105  13.995  -5.616  -5.813
  805    HG1  THR 105           HG1      THR 105  12.302  -6.747  -4.037
  806   1HG2  THR 105          1HG2      THR 105  15.482  -7.493  -5.293
  807   2HG2  THR 105          2HG2      THR 105  15.306  -7.173  -3.568
  808   3HG2  THR 105          3HG2      THR 105  16.110  -5.995  -4.605
  809    H    VAL 106           H        VAL 106  15.347  -4.172  -2.154
  810    HA   VAL 106           HA       VAL 106  16.133  -1.810  -3.731
  811    HB   VAL 106           HB       VAL 106  15.212  -1.104  -1.608
  812   1HG1  VAL 106          1HG1      VAL 106  16.461  -1.571   0.506
  813   2HG1  VAL 106          2HG1      VAL 106  17.072  -2.991  -0.358
  814   3HG1  VAL 106          3HG1      VAL 106  15.311  -2.761  -0.142
  815   1HG2  VAL 106          1HG2      VAL 106  16.999   0.312  -0.777
  816   2HG2  VAL 106          2HG2      VAL 106  16.957   0.273  -2.539
  817   3HG2  VAL 106          3HG2      VAL 106  18.169  -0.669  -1.663
  818    H    HIS 107           H        HIS 107  17.785  -1.812  -4.627
  819    HA   HIS 107           HA       HIS 107  19.761  -3.860  -4.375
  820   1HB   HIS 107          1HB       HIS 107  19.404  -1.581  -6.328
  821   2HB   HIS 107          2HB       HIS 107  20.772  -2.688  -6.382
  822    HD1  HIS 107           HD1      HIS 107  20.472  -4.644  -7.840
  823    HD2  HIS 107           HD2      HIS 107  16.823  -3.112  -6.548
  824    HE1  HIS 107           HE1      HIS 107  18.701  -6.022  -8.963
  825    HE2  HIS 107           HE2      HIS 107  16.515  -5.221  -8.035
  826    H    GLU 108           H        GLU 108  20.803  -3.535  -2.642
  827    HA   GLU 108           HA       GLU 108  22.111  -1.072  -1.946
  828   1HB   GLU 108          1HB       GLU 108  21.321  -2.612  -0.217
  829   2HB   GLU 108          2HB       GLU 108  22.362  -3.879  -0.845
  830   1HG   GLU 108          1HG       GLU 108  24.323  -2.482  -0.283
  831   2HG   GLU 108          2HG       GLU 108  23.226  -1.309   0.447
  832    H    ALA 109           H        ALA 109  23.348  -4.341  -2.622
  833    HA   ALA 109           HA       ALA 109  25.689  -3.078  -3.877
  834   1HB   ALA 109          1HB       ALA 109  26.248  -4.288  -1.810
  835   2HB   ALA 109          2HB       ALA 109  26.999  -5.014  -3.231
  836   3HB   ALA 109          3HB       ALA 109  25.576  -5.762  -2.509
  837    H    MET 110           H        MET 110  24.676  -3.009  -5.885
  838    HA   MET 110           HA       MET 110  24.493  -3.711  -8.029
  839   1HB   MET 110          1HB       MET 110  26.419  -5.294  -7.291
  840   2HB   MET 110          2HB       MET 110  25.172  -6.533  -7.259
  841   1HG   MET 110          1HG       MET 110  24.691  -6.141  -9.605
  842   2HG   MET 110          2HG       MET 110  25.886  -4.845  -9.647
  843   1HE   MET 110          1HE       MET 110  26.177  -6.840 -11.846
  844   2HE   MET 110          2HE       MET 110  27.859  -7.360 -11.744
  845   3HE   MET 110          3HE       MET 110  27.447  -5.665 -11.492
  Start of MODEL   15
    1    H    ASP   1           H        ASP   1 -17.583 -12.507  -0.096
    2    HA   ASP   1           HA       ASP   1 -16.779  -9.633   0.103
    3   1HB   ASP   1          1HB       ASP   1 -15.924 -11.676  -1.975
    4   2HB   ASP   1          2HB       ASP   1 -15.347 -10.025  -1.767
    5    H    ASP   2           H        ASP   2 -18.342  -8.486  -0.674
    6    HA   ASP   2           HA       ASP   2 -20.192  -9.457  -2.646
    7   1HB   ASP   2          1HB       ASP   2 -19.773  -7.012  -0.989
    8   2HB   ASP   2          2HB       ASP   2 -20.977  -7.036  -2.266
    9    HA   PRO   3           HA       PRO   3 -18.318  -7.429  -6.154
   10   1HB   PRO   3          1HB       PRO   3 -20.854  -6.158  -6.912
   11   2HB   PRO   3          2HB       PRO   3 -19.943  -7.422  -7.743
   12   1HG   PRO   3          1HG       PRO   3 -22.281  -7.925  -6.518
   13   2HG   PRO   3          2HG       PRO   3 -20.970  -9.119  -6.566
   14   1HD   PRO   3          1HD       PRO   3 -21.771  -7.272  -4.343
   15   2HD   PRO   3          2HD       PRO   3 -21.315  -8.988  -4.269
   16    H    ILE   4           H        ILE   4 -18.173  -5.913  -3.740
   17    HA   ILE   4           HA       ILE   4 -18.608  -3.170  -4.051
   18    HB   ILE   4           HB       ILE   4 -16.717  -4.893  -2.535
   19   1HG1  ILE   4          1HG1      ILE   4 -17.619  -3.472  -0.657
   20   2HG1  ILE   4          2HG1      ILE   4 -18.645  -2.671  -1.844
   21   1HG2  ILE   4          1HG2      ILE   4 -15.162  -3.206  -3.275
   22   2HG2  ILE   4          2HG2      ILE   4 -15.560  -2.909  -1.584
   23   3HG2  ILE   4          3HG2      ILE   4 -16.284  -1.912  -2.846
   24   1HD1  ILE   4          1HD1      ILE   4 -19.683  -4.808  -2.371
   25   2HD1  ILE   4          2HD1      ILE   4 -19.843  -4.404  -0.659
   26   3HD1  ILE   4          3HD1      ILE   4 -18.643  -5.593  -1.177
   27    H    GLY   5           H        GLY   5 -15.796  -5.134  -4.854
   28   1HA   GLY   5          1HA       GLY   5 -14.396  -4.917  -6.748
   29   2HA   GLY   5          2HA       GLY   5 -15.189  -3.389  -7.117
   30    H    LEU   6           H        LEU   6 -13.879  -4.577  -4.181
   31    HA   LEU   6           HA       LEU   6 -12.998  -2.187  -3.166
   32   1HB   LEU   6          1HB       LEU   6 -13.380  -4.619  -2.202
   33   2HB   LEU   6          2HB       LEU   6 -11.660  -4.764  -2.477
   34    HG   LEU   6           HG       LEU   6 -11.179  -3.107  -0.884
   35   1HD1  LEU   6          1HD1      LEU   6 -14.088  -2.559  -0.517
   36   2HD1  LEU   6          2HD1      LEU   6 -13.053  -1.577  -1.552
   37   3HD1  LEU   6          3HD1      LEU   6 -12.725  -1.685   0.177
   38   1HD2  LEU   6          1HD2      LEU   6 -11.713  -5.276   0.007
   39   2HD2  LEU   6          2HD2      LEU   6 -13.408  -4.803   0.136
   40   3HD2  LEU   6          3HD2      LEU   6 -12.188  -3.996   1.122
   41    H    PHE   7           H        PHE   7 -11.137  -4.751  -4.757
   42    HA   PHE   7           HA       PHE   7  -8.775  -3.121  -4.788
   43   1HB   PHE   7          1HB       PHE   7  -9.370  -5.893  -4.972
   44   2HB   PHE   7          2HB       PHE   7  -8.497  -5.430  -6.430
   45    HD1  PHE   7           HD1      PHE   7  -8.178  -4.260  -2.895
   46    HD2  PHE   7           HD2      PHE   7  -6.328  -6.194  -6.206
   47    HE1  PHE   7           HE1      PHE   7  -6.065  -4.347  -1.658
   48    HE2  PHE   7           HE2      PHE   7  -4.205  -6.285  -4.964
   49    HZ   PHE   7           HZ       PHE   7  -4.076  -5.365  -2.693
   50    H    VAL   8           H        VAL   8  -9.568  -1.416  -5.983
   51    HA   VAL   8           HA       VAL   8 -10.426  -1.668  -8.696
   52    HB   VAL   8           HB       VAL   8  -9.226   0.775  -7.385
   53   1HG1  VAL   8          1HG1      VAL   8 -10.620   2.002  -8.980
   54   2HG1  VAL   8          2HG1      VAL   8 -11.200   0.476  -9.648
   55   3HG1  VAL   8          3HG1      VAL   8  -9.501   0.917  -9.805
   56   1HG2  VAL   8          1HG2      VAL   8 -11.001  -0.125  -5.960
   57   2HG2  VAL   8          2HG2      VAL   8 -12.104  -0.139  -7.337
   58   3HG2  VAL   8          3HG2      VAL   8 -11.493   1.394  -6.711
   59    H    MET   9           H        MET   9  -7.405  -0.825  -7.100
   60    HA   MET   9           HA       MET   9  -5.923  -2.058  -9.254
   61   1HB   MET   9          1HB       MET   9  -6.011   0.297  -9.982
   62   2HB   MET   9          2HB       MET   9  -5.346   0.784  -8.433
   63   1HG   MET   9          1HG       MET   9  -3.328  -0.583  -8.954
   64   2HG   MET   9          2HG       MET   9  -3.986  -0.820 -10.570
   65   1HE   MET   9          1HE       MET   9  -4.146   1.019 -12.405
   66   2HE   MET   9          2HE       MET   9  -3.884   2.739 -12.112
   67   3HE   MET   9          3HE       MET   9  -5.255   1.915 -11.370
   68    H    ARG  10           H        ARG  10  -4.118  -3.039  -8.463
   69    HA   ARG  10           HA       ARG  10  -3.795  -2.908  -5.583
   70   1HB   ARG  10          1HB       ARG  10  -2.607  -4.960  -5.737
   71   2HB   ARG  10          2HB       ARG  10  -4.012  -5.108  -6.774
   72   1HG   ARG  10          1HG       ARG  10  -2.644  -4.746  -8.734
   73   2HG   ARG  10          2HG       ARG  10  -1.219  -4.494  -7.723
   74   1HD   ARG  10          1HD       ARG  10  -1.062  -6.717  -8.463
   75   2HD   ARG  10          2HD       ARG  10  -1.657  -6.821  -6.804
   76    HE   ARG  10           HE       ARG  10  -3.810  -6.769  -8.656
   77   1HH1  ARG  10          1HH1      ARG  10  -1.330  -8.876  -7.362
   78   2HH1  ARG  10          2HH1      ARG  10  -2.228 -10.334  -7.652
   79   1HH2  ARG  10          1HH2      ARG  10  -4.990  -8.665  -9.066
   80   2HH2  ARG  10          2HH2      ARG  10  -4.303 -10.217  -8.669
   81    HA   PRO  11           HA       PRO  11  -0.014  -0.572  -5.929
   82   1HB   PRO  11          1HB       PRO  11   0.964  -1.213  -3.452
   83   2HB   PRO  11          2HB       PRO  11  -0.251   0.040  -3.728
   84   1HG   PRO  11          1HG       PRO  11  -0.599  -2.757  -2.759
   85   2HG   PRO  11          2HG       PRO  11  -1.447  -1.282  -2.267
   86   1HD   PRO  11          1HD       PRO  11  -2.510  -3.138  -3.956
   87   2HD   PRO  11          2HD       PRO  11  -2.941  -1.412  -3.999
   88    H    GLN  12           H        GLN  12   2.105  -1.163  -6.504
   89    HA   GLN  12           HA       GLN  12   2.417  -4.036  -6.776
   90   1HB   GLN  12          1HB       GLN  12   1.797  -2.439  -8.701
   91   2HB   GLN  12          2HB       GLN  12   3.498  -1.988  -8.646
   92   1HG   GLN  12          1HG       GLN  12   3.130  -3.663 -10.275
   93   2HG   GLN  12          2HG       GLN  12   4.103  -4.288  -8.957
   94   1HE2  GLN  12          1HE2      GLN  12   3.033  -5.727  -7.361
   95   2HE2  GLN  12          2HE2      GLN  12   1.674  -6.651  -7.886
   96    H    ASP  13           H        ASP  13   4.691  -4.812  -7.129
   97    HA   ASP  13           HA       ASP  13   6.471  -4.234  -5.199
   98   1HB   ASP  13          1HB       ASP  13   7.036  -5.368  -7.943
   99   2HB   ASP  13          2HB       ASP  13   7.861  -5.723  -6.446
  100    H    GLY  14           H        GLY  14   8.650  -4.416  -7.167
  101   1HA   GLY  14          1HA       GLY  14   9.399  -2.540  -8.780
  102   2HA   GLY  14          2HA       GLY  14   9.252  -1.566  -7.330
  103    H    GLU  15           H        GLU  15  11.420  -2.596  -9.117
  104    HA   GLU  15           HA       GLU  15  13.261  -3.530  -7.027
  105   1HB   GLU  15          1HB       GLU  15  13.451  -3.716 -10.038
  106   2HB   GLU  15          2HB       GLU  15  14.785  -4.094  -8.960
  107   1HG   GLU  15          1HG       GLU  15  13.242  -5.807  -7.901
  108   2HG   GLU  15          2HG       GLU  15  12.185  -5.547  -9.292
  109    H    VAL  16           H        VAL  16  14.533  -1.928  -6.216
  110    HA   VAL  16           HA       VAL  16  15.163   0.287  -7.914
  111    HB   VAL  16           HB       VAL  16  14.421   1.859  -6.412
  112   1HG1  VAL  16          1HG1      VAL  16  12.076   1.436  -6.000
  113   2HG1  VAL  16          2HG1      VAL  16  12.347  -0.290  -6.230
  114   3HG1  VAL  16          3HG1      VAL  16  12.567   0.827  -7.578
  115   1HG2  VAL  16          1HG2      VAL  16  15.364   0.954  -4.382
  116   2HG2  VAL  16          2HG2      VAL  16  14.094  -0.272  -4.324
  117   3HG2  VAL  16          3HG2      VAL  16  13.691   1.431  -4.110
  118    H    THR  17           H        THR  17  16.817   1.504  -6.913
  119    HA   THR  17           HA       THR  17  18.790  -0.171  -5.594
  120    HB   THR  17           HB       THR  17  19.552   2.558  -6.371
  121    HG1  THR  17           HG1      THR  17  19.574   1.985  -8.636
  122   1HG2  THR  17          1HG2      THR  17  20.699  -0.170  -6.974
  123   2HG2  THR  17          2HG2      THR  17  21.189   0.895  -5.656
  124   3HG2  THR  17          3HG2      THR  17  21.486   1.369  -7.329
  125    H    VAL  18           H        VAL  18  19.894   0.633  -3.713
  126    HA   VAL  18           HA       VAL  18  18.359   2.082  -1.876
  127    HB   VAL  18           HB       VAL  18  21.304   1.948  -1.654
  128   1HG1  VAL  18          1HG1      VAL  18  20.837   1.842   0.740
  129   2HG1  VAL  18          2HG1      VAL  18  19.109   1.871   0.384
  130   3HG1  VAL  18          3HG1      VAL  18  20.117   3.261  -0.022
  131   1HG2  VAL  18          1HG2      VAL  18  19.439  -0.296  -0.934
  132   2HG2  VAL  18          2HG2      VAL  18  21.165  -0.239  -0.573
  133   3HG2  VAL  18          3HG2      VAL  18  20.612  -0.315  -2.250
  134    H    GLY  19           H        GLY  19  17.897   3.903  -2.312
  135   1HA   GLY  19          1HA       GLY  19  18.586   6.213  -1.776
  136   2HA   GLY  19          2HA       GLY  19  19.951   5.939  -2.846
  137    H    GLY  20           H        GLY  20  17.142   4.506  -4.163
  138   1HA   GLY  20          1HA       GLY  20  16.751   6.860  -5.834
  139   2HA   GLY  20          2HA       GLY  20  16.208   5.238  -6.179
  140    H    SER  21           H        SER  21  14.263   5.135  -6.132
  141    HA   SER  21           HA       SER  21  12.718   5.889  -3.897
  142   1HB   SER  21          1HB       SER  21  11.019   6.882  -5.451
  143   2HB   SER  21          2HB       SER  21  12.445   7.834  -5.159
  144    HG   SER  21           HG       SER  21  13.068   7.584  -7.182
  145    H    ILE  22           H        ILE  22  10.591   5.048  -4.106
  146    HA   ILE  22           HA       ILE  22   9.978   3.207  -6.165
  147    HB   ILE  22           HB       ILE  22  10.997   1.785  -4.550
  148   1HG1  ILE  22          1HG1      ILE  22   9.120   0.222  -4.204
  149   2HG1  ILE  22          2HG1      ILE  22   8.027   1.493  -4.724
  150   1HG2  ILE  22          1HG2      ILE  22   8.933   2.745  -2.610
  151   2HG2  ILE  22          2HG2      ILE  22  10.678   2.984  -2.498
  152   3HG2  ILE  22          3HG2      ILE  22   9.996   1.366  -2.350
  153   1HD1  ILE  22          1HD1      ILE  22  10.185   0.195  -6.362
  154   2HD1  ILE  22          2HD1      ILE  22   9.176   1.540  -6.897
  155   3HD1  ILE  22          3HD1      ILE  22   8.443  -0.025  -6.533
  156    H    THR  23           H        THR  23   7.854   2.839  -6.249
  157    HA   THR  23           HA       THR  23   6.102   4.631  -4.773
  158    HB   THR  23           HB       THR  23   5.974   4.607  -7.775
  159    HG1  THR  23           HG1      THR  23   7.749   5.840  -6.223
  160   1HG2  THR  23          1HG2      THR  23   4.554   6.589  -7.408
  161   2HG2  THR  23          2HG2      THR  23   4.712   6.360  -5.664
  162   3HG2  THR  23          3HG2      THR  23   3.886   5.146  -6.643
  163    H    PHE  24           H        PHE  24   4.355   3.758  -4.247
  164    HA   PHE  24           HA       PHE  24   3.223   1.505  -5.767
  165   1HB   PHE  24          1HB       PHE  24   2.845   1.856  -2.805
  166   2HB   PHE  24          2HB       PHE  24   2.691   0.411  -3.772
  167    HD1  PHE  24           HD1      PHE  24   4.636  -0.909  -4.381
  168    HD2  PHE  24           HD2      PHE  24   4.990   2.574  -1.978
  169    HE1  PHE  24           HE1      PHE  24   6.917  -1.573  -3.753
  170    HE2  PHE  24           HE2      PHE  24   7.270   1.925  -1.349
  171    HZ   PHE  24           HZ       PHE  24   8.196  -0.212  -2.150
  172    H    SER  25           H        SER  25   0.962   1.616  -5.915
  173    HA   SER  25           HA       SER  25  -0.458   3.765  -4.611
  174   1HB   SER  25          1HB       SER  25  -1.007   3.178  -7.480
  175   2HB   SER  25          2HB       SER  25  -1.407   4.604  -6.553
  176    HG   SER  25           HG       SER  25   1.171   4.503  -6.456
  177    H    ALA  26           H        ALA  26  -2.263   3.097  -3.840
  178    HA   ALA  26           HA       ALA  26  -3.389   0.505  -4.671
  179   1HB   ALA  26          1HB       ALA  26  -4.034   0.159  -2.302
  180   2HB   ALA  26          2HB       ALA  26  -3.170   1.639  -1.878
  181   3HB   ALA  26          3HB       ALA  26  -2.288   0.272  -2.516
  182    H    ARG  27           H        ARG  27  -5.341   0.783  -5.564
  183    HA   ARG  27           HA       ARG  27  -6.930   3.125  -4.753
  184   1HB   ARG  27          1HB       ARG  27  -7.154   1.422  -7.240
  185   2HB   ARG  27          2HB       ARG  27  -8.164   2.810  -6.861
  186   1HG   ARG  27          1HG       ARG  27  -6.276   4.283  -6.991
  187   2HG   ARG  27          2HG       ARG  27  -5.184   2.914  -7.217
  188   1HD   ARG  27          1HD       ARG  27  -5.495   3.620  -9.389
  189   2HD   ARG  27          2HD       ARG  27  -6.721   2.364  -9.231
  190    HE   ARG  27           HE       ARG  27  -7.606   5.067  -8.672
  191   1HH1  ARG  27          1HH1      ARG  27  -7.358   2.465 -11.013
  192   2HH1  ARG  27          2HH1      ARG  27  -8.523   3.152 -12.098
  193   1HH2  ARG  27          1HH2      ARG  27  -9.136   5.977 -10.105
  194   2HH2  ARG  27          2HH2      ARG  27  -9.557   5.138 -11.566
  195    H    VAL  28           H        VAL  28  -8.673   2.797  -3.526
  196    HA   VAL  28           HA       VAL  28  -9.789   0.107  -3.455
  197    HB   VAL  28           HB       VAL  28  -9.669   1.957  -1.096
  198   1HG1  VAL  28          1HG1      VAL  28 -10.347   0.061   0.178
  199   2HG1  VAL  28          2HG1      VAL  28 -10.138  -1.012  -1.204
  200   3HG1  VAL  28          3HG1      VAL  28 -11.437   0.182  -1.211
  201   1HG2  VAL  28          1HG2      VAL  28  -7.852   0.488  -0.252
  202   2HG2  VAL  28          2HG2      VAL  28  -7.394   1.442  -1.656
  203   3HG2  VAL  28          3HG2      VAL  28  -7.778  -0.269  -1.839
  204    H    ALA  29           H        ALA  29 -11.706   0.030  -3.914
  205    HA   ALA  29           HA       ALA  29 -13.460   2.046  -4.596
  206   1HB   ALA  29          1HB       ALA  29 -15.171   0.339  -4.622
  207   2HB   ALA  29          2HB       ALA  29 -14.156  -0.728  -3.652
  208   3HB   ALA  29          3HB       ALA  29 -13.675  -0.309  -5.298
  209    H    GLY  30           H        GLY  30 -13.978   3.580  -3.247
  210   1HA   GLY  30          1HA       GLY  30 -14.456   3.597  -0.535
  211   2HA   GLY  30          2HA       GLY  30 -15.321   4.613  -1.679
  212    H    ALA  31           H        ALA  31 -17.013   3.305  -2.964
  213    HA   ALA  31           HA       ALA  31 -18.833   1.985  -3.163
  214   1HB   ALA  31          1HB       ALA  31 -17.456   0.170  -1.204
  215   2HB   ALA  31          2HB       ALA  31 -17.066   0.268  -2.919
  216   3HB   ALA  31          3HB       ALA  31 -18.666  -0.274  -2.412
  217    H    SER  32           H        SER  32 -20.330   0.439  -1.653
  218    HA   SER  32           HA       SER  32 -21.236   2.128   0.569
  219   1HB   SER  32          1HB       SER  32 -23.430   0.876   0.203
  220   2HB   SER  32          2HB       SER  32 -22.951   1.973  -1.093
  221    HG   SER  32           HG       SER  32 -22.331  -0.792  -1.099
  222    H    LEU  33           H        LEU  33 -21.321   1.283   2.583
  223    HA   LEU  33           HA       LEU  33 -21.100  -1.500   3.147
  224   1HB   LEU  33          1HB       LEU  33 -18.918  -1.030   4.451
  225   2HB   LEU  33          2HB       LEU  33 -18.852  -1.497   2.776
  226    HG   LEU  33           HG       LEU  33 -17.326   0.418   3.781
  227   1HD1  LEU  33          1HD1      LEU  33 -17.167   1.363   1.522
  228   2HD1  LEU  33          2HD1      LEU  33 -18.654   0.523   1.082
  229   3HD1  LEU  33          3HD1      LEU  33 -17.218  -0.399   1.526
  230   1HD2  LEU  33          1HD2      LEU  33 -18.084   2.579   3.744
  231   2HD2  LEU  33          2HD2      LEU  33 -19.505   1.749   4.379
  232   3HD2  LEU  33          3HD2      LEU  33 -19.435   2.216   2.678
  233    H    LEU  34           H        LEU  34 -20.297  -1.694   5.567
  234    HA   LEU  34           HA       LEU  34 -22.078  -0.217   7.208
  235   1HB   LEU  34          1HB       LEU  34 -21.247  -2.545   7.672
  236   2HB   LEU  34          2HB       LEU  34 -19.685  -1.848   8.060
  237    HG   LEU  34           HG       LEU  34 -20.953  -0.433   9.779
  238   1HD1  LEU  34          1HD1      LEU  34 -22.991  -1.489  10.666
  239   2HD1  LEU  34          2HD1      LEU  34 -22.996  -2.590   9.285
  240   3HD1  LEU  34          3HD1      LEU  34 -23.200  -0.857   9.032
  241   1HD2  LEU  34          1HD2      LEU  34 -20.742  -2.164  11.461
  242   2HD2  LEU  34          2HD2      LEU  34 -19.393  -2.244  10.324
  243   3HD2  LEU  34          3HD2      LEU  34 -20.714  -3.406  10.210
  244    H    LYS  35           H        LYS  35 -18.601  -0.228   6.669
  245    HA   LYS  35           HA       LYS  35 -18.493   2.600   7.143
  246   1HB   LYS  35          1HB       LYS  35 -16.439   2.290   8.656
  247   2HB   LYS  35          2HB       LYS  35 -18.020   2.041   9.374
  248   1HG   LYS  35          1HG       LYS  35 -16.581   0.339  10.195
  249   2HG   LYS  35          2HG       LYS  35 -17.694  -0.423   9.062
  250   1HD   LYS  35          1HD       LYS  35 -16.019  -0.592   7.394
  251   2HD   LYS  35          2HD       LYS  35 -14.936   0.490   8.272
  252   1HE   LYS  35          1HE       LYS  35 -15.813  -2.218   9.282
  253   2HE   LYS  35          2HE       LYS  35 -14.307  -1.919   8.410
  254   1HZ   LYS  35          1HZ       LYS  35 -13.835  -1.884  10.726
  255   2HZ   LYS  35          2HZ       LYS  35 -15.100  -0.801  11.048
  256   3HZ   LYS  35          3HZ       LYS  35 -13.744  -0.280  10.176
  257    HA   PRO  36           HA       PRO  36 -15.869   2.794   3.695
  258   1HB   PRO  36          1HB       PRO  36 -13.931   4.247   5.455
  259   2HB   PRO  36          2HB       PRO  36 -14.555   4.695   3.862
  260   1HG   PRO  36          1HG       PRO  36 -15.499   5.874   6.041
  261   2HG   PRO  36          2HG       PRO  36 -16.590   5.419   4.717
  262   1HD   PRO  36          1HD       PRO  36 -16.193   4.130   7.375
  263   2HD   PRO  36          2HD       PRO  36 -17.671   4.292   6.407
  264    HA   PRO  37           HA       PRO  37 -13.148  -0.636   3.824
  265   1HB   PRO  37          1HB       PRO  37 -11.154   0.585   2.203
  266   2HB   PRO  37          2HB       PRO  37 -12.283  -0.693   1.777
  267   1HG   PRO  37          1HG       PRO  37 -12.366   2.070   0.998
  268   2HG   PRO  37          2HG       PRO  37 -13.456   0.760   0.528
  269   1HD   PRO  37          1HD       PRO  37 -14.059   2.934   2.193
  270   2HD   PRO  37          2HD       PRO  37 -15.051   1.485   1.909
  271    H    VAL  38           H        VAL  38 -11.711  -1.233   5.188
  272    HA   VAL  38           HA       VAL  38  -9.836   0.675   6.327
  273    HB   VAL  38           HB       VAL  38 -10.074  -2.080   7.354
  274   1HG1  VAL  38          1HG1      VAL  38  -9.497  -1.015   9.480
  275   2HG1  VAL  38          2HG1      VAL  38  -9.541   0.557   8.680
  276   3HG1  VAL  38          3HG1      VAL  38  -8.338  -0.640   8.203
  277   1HG2  VAL  38          1HG2      VAL  38 -11.856  -1.456   8.922
  278   2HG2  VAL  38          2HG2      VAL  38 -12.399  -1.401   7.245
  279   3HG2  VAL  38          3HG2      VAL  38 -12.011   0.094   8.096
  280    H    VAL  39           H        VAL  39  -8.225   0.614   5.135
  281    HA   VAL  39           HA       VAL  39  -7.107  -1.869   4.135
  282    HB   VAL  39           HB       VAL  39  -6.085   0.758   3.242
  283   1HG1  VAL  39          1HG1      VAL  39  -6.487  -1.862   1.834
  284   2HG1  VAL  39          2HG1      VAL  39  -4.978  -1.247   2.515
  285   3HG1  VAL  39          3HG1      VAL  39  -5.723  -0.435   1.137
  286   1HG2  VAL  39          1HG2      VAL  39  -7.750   1.146   1.606
  287   2HG2  VAL  39          2HG2      VAL  39  -8.595   0.911   3.135
  288   3HG2  VAL  39          3HG2      VAL  39  -8.541  -0.392   1.947
  289    H    LYS  40           H        LYS  40  -5.612  -2.477   5.468
  290    HA   LYS  40           HA       LYS  40  -3.883  -0.501   6.635
  291   1HB   LYS  40          1HB       LYS  40  -3.111  -2.324   8.132
  292   2HB   LYS  40          2HB       LYS  40  -4.764  -1.829   8.365
  293   1HG   LYS  40          1HG       LYS  40  -4.949  -4.106   8.501
  294   2HG   LYS  40          2HG       LYS  40  -5.263  -3.836   6.787
  295   1HD   LYS  40          1HD       LYS  40  -3.123  -4.575   6.156
  296   2HD   LYS  40          2HD       LYS  40  -2.490  -4.413   7.796
  297   1HE   LYS  40          1HE       LYS  40  -4.630  -6.384   7.016
  298   2HE   LYS  40          2HE       LYS  40  -2.911  -6.770   7.026
  299   1HZ   LYS  40          1HZ       LYS  40  -4.030  -7.455   9.075
  300   2HZ   LYS  40          2HZ       LYS  40  -4.468  -5.847   9.391
  301   3HZ   LYS  40          3HZ       LYS  40  -2.829  -6.297   9.380
  302    H    TRP  41           H        TRP  41  -2.176  -0.218   5.922
  303    HA   TRP  41           HA       TRP  41  -0.965  -1.880   3.942
  304   1HB   TRP  41          1HB       TRP  41  -0.208   0.727   5.221
  305   2HB   TRP  41          2HB       TRP  41   0.837  -0.112   4.077
  306    HD1  TRP  41           HD1      TRP  41  -2.530   1.692   4.277
  307    HE1  TRP  41           HE1      TRP  41  -3.122   2.473   1.870
  308    HE3  TRP  41           HE3      TRP  41   1.113  -0.756   1.683
  309    HZ2  TRP  41           HZ2      TRP  41  -2.218   2.005  -0.759
  310    HZ3  TRP  41           HZ3      TRP  41   1.164  -0.578  -0.772
  311    HH2  TRP  41           HH2      TRP  41  -0.482   0.795  -1.953
  312    H    PHE  42           H        PHE  42   0.950  -2.799   4.051
  313    HA   PHE  42           HA       PHE  42   2.320  -2.971   6.629
  314   1HB   PHE  42          1HB       PHE  42   1.034  -5.121   5.985
  315   2HB   PHE  42          2HB       PHE  42   2.182  -5.266   4.662
  316    HD1  PHE  42           HD1      PHE  42   4.410  -6.026   5.037
  317    HD2  PHE  42           HD2      PHE  42   1.783  -5.325   8.312
  318    HE1  PHE  42           HE1      PHE  42   5.972  -7.200   6.537
  319    HE2  PHE  42           HE2      PHE  42   3.335  -6.499   9.814
  320    HZ   PHE  42           HZ       PHE  42   5.433  -7.440   8.926
  321    H    LYS  43           H        LYS  43   4.524  -2.856   6.370
  322    HA   LYS  43           HA       LYS  43   5.248  -1.774   3.737
  323   1HB   LYS  43          1HB       LYS  43   5.483  -0.001   5.275
  324   2HB   LYS  43          2HB       LYS  43   5.897  -1.075   6.599
  325   1HG   LYS  43          1HG       LYS  43   7.843   0.088   6.254
  326   2HG   LYS  43          2HG       LYS  43   8.128  -1.391   5.349
  327   1HD   LYS  43          1HD       LYS  43   7.576  -0.256   3.285
  328   2HD   LYS  43          2HD       LYS  43   7.217   1.223   4.178
  329   1HE   LYS  43          1HE       LYS  43   9.506   1.368   4.924
  330   2HE   LYS  43          2HE       LYS  43   9.882  -0.181   4.170
  331   1HZ   LYS  43          1HZ       LYS  43  10.624   1.715   2.840
  332   2HZ   LYS  43          2HZ       LYS  43   9.027   2.260   2.713
  333   3HZ   LYS  43          3HZ       LYS  43   9.474   0.785   2.015
  334    H    GLY  44           H        GLY  44   7.565  -2.262   3.228
  335   1HA   GLY  44          1HA       GLY  44   8.577  -4.340   2.492
  336   2HA   GLY  44          2HA       GLY  44   9.626  -3.441   3.536
  337    H    LYS  45           H        LYS  45  10.724  -5.539   3.726
  338    HA   LYS  45           HA       LYS  45   9.658  -7.983   4.198
  339   1HB   LYS  45          1HB       LYS  45  12.221  -6.705   4.501
  340   2HB   LYS  45          2HB       LYS  45  12.025  -7.996   5.677
  341   1HG   LYS  45          1HG       LYS  45  11.456  -9.538   3.837
  342   2HG   LYS  45          2HG       LYS  45  11.697  -8.219   2.687
  343   1HD   LYS  45          1HD       LYS  45  13.671  -9.607   2.748
  344   2HD   LYS  45          2HD       LYS  45  14.036  -8.030   3.452
  345   1HE   LYS  45          1HE       LYS  45  14.017  -8.893   5.646
  346   2HE   LYS  45          2HE       LYS  45  13.235 -10.390   5.134
  347   1HZ   LYS  45          1HZ       LYS  45  15.984  -9.561   4.376
  348   2HZ   LYS  45          2HZ       LYS  45  15.223 -11.021   3.971
  349   3HZ   LYS  45          3HZ       LYS  45  15.601 -10.684   5.592
  350    H    TRP  46           H        TRP  46   9.159  -5.611   6.565
  351    HA   TRP  46           HA       TRP  46   8.226  -7.562   8.439
  352   1HB   TRP  46          1HB       TRP  46   9.714  -6.553  10.246
  353   2HB   TRP  46          2HB       TRP  46  10.412  -7.748   9.170
  354    HD1  TRP  46           HD1      TRP  46  12.036  -6.724   7.189
  355    HE1  TRP  46           HE1      TRP  46  13.490  -4.614   7.161
  356    HE3  TRP  46           HE3      TRP  46   9.963  -4.307  11.171
  357    HZ2  TRP  46           HZ2      TRP  46  13.724  -2.202   8.666
  358    HZ3  TRP  46           HZ3      TRP  46  10.840  -2.105  11.814
  359    HH2  TRP  46           HH2      TRP  46  12.668  -1.077  10.589
  360    H    VAL  47           H        VAL  47   8.081  -4.429   7.304
  361    HA   VAL  47           HA       VAL  47   7.741  -3.111   9.774
  362    HB   VAL  47           HB       VAL  47   7.658  -1.388   7.486
  363   1HG1  VAL  47          1HG1      VAL  47   9.615  -1.770   9.721
  364   2HG1  VAL  47          2HG1      VAL  47   8.219  -0.692   9.715
  365   3HG1  VAL  47          3HG1      VAL  47   9.581  -0.383   8.636
  366   1HG2  VAL  47          1HG2      VAL  47  10.053  -1.733   6.794
  367   2HG2  VAL  47          2HG2      VAL  47   8.925  -2.952   6.214
  368   3HG2  VAL  47          3HG2      VAL  47   9.985  -3.309   7.583
  369    H    ASP  48           H        ASP  48   6.316  -1.397   9.749
  370    HA   ASP  48           HA       ASP  48   3.747  -1.777   8.503
  371   1HB   ASP  48          1HB       ASP  48   3.276  -0.057  10.488
  372   2HB   ASP  48          2HB       ASP  48   3.202  -1.792  10.728
  373    H    LEU  49           H        LEU  49   2.816   0.162   7.656
  374    HA   LEU  49           HA       LEU  49   4.654   2.373   7.264
  375   1HB   LEU  49          1HB       LEU  49   1.911   1.866   6.123
  376   2HB   LEU  49          2HB       LEU  49   2.828   3.328   5.847
  377    HG   LEU  49           HG       LEU  49   4.611   1.651   4.875
  378   1HD1  LEU  49          1HD1      LEU  49   2.036   0.234   4.257
  379   2HD1  LEU  49          2HD1      LEU  49   3.190  -0.337   5.471
  380   3HD1  LEU  49          3HD1      LEU  49   3.674  -0.213   3.777
  381   1HD2  LEU  49          1HD2      LEU  49   2.082   2.332   3.423
  382   2HD2  LEU  49          2HD2      LEU  49   3.671   2.032   2.714
  383   3HD2  LEU  49          3HD2      LEU  49   3.409   3.464   3.717
  384    H    SER  50           H        SER  50   1.776   1.651   9.048
  385    HA   SER  50           HA       SER  50   0.641   4.197   9.034
  386   1HB   SER  50          1HB       SER  50  -0.585   2.103   9.626
  387   2HB   SER  50          2HB       SER  50   0.327   2.035  11.133
  388    HG   SER  50           HG       SER  50  -0.719   4.466  10.959
  389    H    SER  51           H        SER  51   3.309   2.864  10.646
  390    HA   SER  51           HA       SER  51   3.134   4.809  12.700
  391   1HB   SER  51          1HB       SER  51   4.642   2.283  12.417
  392   2HB   SER  51          2HB       SER  51   5.191   3.489  13.561
  393    HG   SER  51           HG       SER  51   3.723   1.904  14.454
  394    H    LYS  52           H        LYS  52   4.685   4.331   9.814
  395    HA   LYS  52           HA       LYS  52   7.017   5.913  10.519
  396   1HB   LYS  52          1HB       LYS  52   6.825   4.759   7.834
  397   2HB   LYS  52          2HB       LYS  52   8.151   4.742   8.973
  398   1HG   LYS  52          1HG       LYS  52   5.780   2.914   8.932
  399   2HG   LYS  52          2HG       LYS  52   7.442   2.503   8.518
  400   1HD   LYS  52          1HD       LYS  52   6.573   3.418  11.259
  401   2HD   LYS  52          2HD       LYS  52   6.675   1.722  10.780
  402   1HE   LYS  52          1HE       LYS  52   9.036   1.906  10.422
  403   2HE   LYS  52          2HE       LYS  52   8.989   3.655  10.648
  404   1HZ   LYS  52          1HZ       LYS  52   9.794   2.652  12.638
  405   2HZ   LYS  52          2HZ       LYS  52   8.492   1.569  12.708
  406   3HZ   LYS  52          3HZ       LYS  52   8.232   3.227  12.959
  407    H    VAL  53           H        VAL  53   4.792   5.534   7.911
  408    HA   VAL  53           HA       VAL  53   4.724   7.155   6.080
  409    HB   VAL  53           HB       VAL  53   2.500   7.161   8.112
  410   1HG1  VAL  53          1HG1      VAL  53   1.998   9.096   6.831
  411   2HG1  VAL  53          2HG1      VAL  53   1.045   7.782   6.115
  412   3HG1  VAL  53          3HG1      VAL  53   2.533   8.326   5.335
  413   1HG2  VAL  53          1HG2      VAL  53   1.479   5.563   6.630
  414   2HG2  VAL  53          2HG2      VAL  53   3.094   5.025   7.096
  415   3HG2  VAL  53          3HG2      VAL  53   2.823   5.723   5.501
  416    H    GLY  54           H        GLY  54   6.185   8.611   6.085
  417   1HA   GLY  54          1HA       GLY  54   5.418  11.282   6.917
  418   2HA   GLY  54          2HA       GLY  54   6.876  10.673   7.688
  419    H    GLN  55           H        GLN  55   8.627  11.487   6.744
  420    HA   GLN  55           HA       GLN  55   8.372  12.873   4.263
  421   1HB   GLN  55          1HB       GLN  55   9.787  13.527   6.283
  422   2HB   GLN  55          2HB       GLN  55  10.963  12.355   5.703
  423   1HG   GLN  55          1HG       GLN  55  11.073  13.583   3.561
  424   2HG   GLN  55          2HG       GLN  55   9.974  14.788   4.229
  425   1HE2  GLN  55          1HE2      GLN  55  12.470  13.196   6.070
  426   2HE2  GLN  55          2HE2      GLN  55  13.474  14.590   6.291
  427    H    HIS  56           H        HIS  56   9.674   9.748   5.128
  428    HA   HIS  56           HA       HIS  56  10.997   9.502   2.513
  429   1HB   HIS  56          1HB       HIS  56  11.986   7.441   3.384
  430   2HB   HIS  56          2HB       HIS  56  12.278   8.776   4.490
  431    HD1  HIS  56           HD1      HIS  56  10.471   5.526   4.195
  432    HD2  HIS  56           HD2      HIS  56  11.025   8.537   6.995
  433    HE1  HIS  56           HE1      HIS  56   9.504   4.633   6.337
  434    HE2  HIS  56           HE2      HIS  56  10.144   6.357   8.067
  435    H    LEU  57           H        LEU  57   8.467   8.098   4.381
  436    HA   LEU  57           HA       LEU  57   7.351   6.837   1.984
  437   1HB   LEU  57          1HB       LEU  57   8.080   5.085   3.431
  438   2HB   LEU  57          2HB       LEU  57   7.574   5.901   4.860
  439    HG   LEU  57           HG       LEU  57   6.330   3.760   3.525
  440   1HD1  LEU  57          1HD1      LEU  57   5.566   5.500   5.827
  441   2HD1  LEU  57          2HD1      LEU  57   6.398   3.945   5.841
  442   3HD1  LEU  57          3HD1      LEU  57   4.698   4.033   5.379
  443   1HD2  LEU  57          1HD2      LEU  57   4.496   6.159   3.490
  444   2HD2  LEU  57          2HD2      LEU  57   4.086   4.487   3.101
  445   3HD2  LEU  57          3HD2      LEU  57   5.178   5.388   2.058
  446    H    GLN  58           H        GLN  58   5.937   8.497   1.549
  447    HA   GLN  58           HA       GLN  58   4.054   9.209   3.599
  448   1HB   GLN  58          1HB       GLN  58   4.051   9.998   0.679
  449   2HB   GLN  58          2HB       GLN  58   3.151  10.750   1.983
  450   1HG   GLN  58          1HG       GLN  58   4.830  12.245   1.677
  451   2HG   GLN  58          2HG       GLN  58   5.514  11.260   2.946
  452   1HE2  GLN  58          1HE2      GLN  58   7.283  10.017   2.504
  453   2HE2  GLN  58          2HE2      GLN  58   8.197  10.139   1.035
  454    H    LEU  59           H        LEU  59   2.668   7.722   3.900
  455    HA   LEU  59           HA       LEU  59   1.490   6.245   1.686
  456   1HB   LEU  59          1HB       LEU  59   2.249   5.034   3.826
  457   2HB   LEU  59          2HB       LEU  59   1.007   5.910   4.680
  458    HG   LEU  59           HG       LEU  59   0.741   3.605   2.784
  459   1HD1  LEU  59          1HD1      LEU  59  -0.852   3.021   4.700
  460   2HD1  LEU  59          2HD1      LEU  59  -0.057   4.357   5.556
  461   3HD1  LEU  59          3HD1      LEU  59   0.894   2.976   4.978
  462   1HD2  LEU  59          1HD2      LEU  59  -1.503   5.504   3.488
  463   2HD2  LEU  59          2HD2      LEU  59  -1.665   3.951   2.662
  464   3HD2  LEU  59          3HD2      LEU  59  -0.801   5.279   1.884
  465    H    HIS  60           H        HIS  60   0.342   7.878   0.792
  466    HA   HIS  60           HA       HIS  60  -1.368   9.509   2.354
  467   1HB   HIS  60          1HB       HIS  60  -0.842   9.435  -0.598
  468   2HB   HIS  60          2HB       HIS  60  -1.984  10.509   0.160
  469    HD1  HIS  60           HD1      HIS  60   1.019  10.887  -1.323
  470    HD2  HIS  60           HD2      HIS  60  -0.262  11.756   2.538
  471    HE1  HIS  60           HE1      HIS  60   2.623  12.628  -0.442
  472    HE2  HIS  60           HE2      HIS  60   1.922  13.006   1.953
  473    H    ASP  61           H        ASP  61  -3.387   9.791   1.794
  474    HA   ASP  61           HA       ASP  61  -4.828   7.643   0.561
  475   1HB   ASP  61          1HB       ASP  61  -6.615   8.123   2.349
  476   2HB   ASP  61          2HB       ASP  61  -5.344   6.970   2.659
  477    H    SER  62           H        SER  62  -5.627   8.468  -0.971
  478    HA   SER  62           HA       SER  62  -6.790  11.135  -0.970
  479   1HB   SER  62          1HB       SER  62  -6.847   9.274  -3.313
  480   2HB   SER  62          2HB       SER  62  -6.900  11.029  -3.308
  481    HG   SER  62           HG       SER  62  -4.642   9.605  -2.377
  482    H    TYR  63           H        TYR  63  -8.971  11.418  -1.524
  483    HA   TYR  63           HA       TYR  63 -10.636   9.115  -1.149
  484   1HB   TYR  63          1HB       TYR  63 -10.520   9.558   1.048
  485   2HB   TYR  63          2HB       TYR  63 -10.244  11.276   0.836
  486    HD1  TYR  63           HD1      TYR  63 -12.000  12.768   1.298
  487    HD2  TYR  63           HD2      TYR  63 -12.898   8.685   0.503
  488    HE1  TYR  63           HE1      TYR  63 -14.363  13.184   1.848
  489    HE2  TYR  63           HE2      TYR  63 -15.259   9.091   1.052
  490    HH   TYR  63           HH       TYR  63 -16.651  12.013   1.162
  491    H    ASP  64           H        ASP  64 -11.503   9.266  -3.006
  492    HA   ASP  64           HA       ASP  64 -13.189  11.620  -3.448
  493   1HB   ASP  64          1HB       ASP  64 -11.444  11.262  -5.202
  494   2HB   ASP  64          2HB       ASP  64 -12.279   9.776  -5.612
  495    H    ARG  65           H        ARG  65 -15.111  11.308  -3.316
  496    HA   ARG  65           HA       ARG  65 -16.297   8.698  -3.026
  497   1HB   ARG  65          1HB       ARG  65 -16.758  11.254  -1.986
  498   2HB   ARG  65          2HB       ARG  65 -18.143  10.936  -3.025
  499   1HG   ARG  65          1HG       ARG  65 -17.158   9.223  -0.780
  500   2HG   ARG  65          2HG       ARG  65 -18.602  10.239  -0.776
  501   1HD   ARG  65          1HD       ARG  65 -19.108   8.821  -2.965
  502   2HD   ARG  65          2HD       ARG  65 -18.101   7.644  -2.124
  503    HE   ARG  65           HE       ARG  65 -19.943   8.482  -0.257
  504   1HH1  ARG  65          1HH1      ARG  65 -20.050   6.966  -3.411
  505   2HH1  ARG  65          2HH1      ARG  65 -21.549   6.142  -3.115
  506   1HH2  ARG  65          1HH2      ARG  65 -21.924   7.429   0.139
  507   2HH2  ARG  65          2HH2      ARG  65 -22.641   6.444  -1.103
  508    H    ALA  66           H        ALA  66 -16.332  11.390  -5.205
  509    HA   ALA  66           HA       ALA  66 -18.460  10.589  -6.855
  510   1HB   ALA  66          1HB       ALA  66 -17.586  12.197  -8.475
  511   2HB   ALA  66          2HB       ALA  66 -16.100  12.330  -7.535
  512   3HB   ALA  66          3HB       ALA  66 -17.629  12.877  -6.849
  513    H    SER  67           H        SER  67 -15.045   9.911  -6.881
  514    HA   SER  67           HA       SER  67 -15.316   8.242  -9.252
  515   1HB   SER  67          1HB       SER  67 -12.903   8.767  -7.494
  516   2HB   SER  67          2HB       SER  67 -12.890   7.876  -9.016
  517    HG   SER  67           HG       SER  67 -13.300  10.636  -8.554
  518    H    LYS  68           H        LYS  68 -15.465   8.099  -5.878
  519    HA   LYS  68           HA       LYS  68 -15.933   6.469  -4.385
  520   1HB   LYS  68          1HB       LYS  68 -17.357   5.706  -6.451
  521   2HB   LYS  68          2HB       LYS  68 -16.125   4.477  -6.590
  522   1HG   LYS  68          1HG       LYS  68 -16.678   4.095  -4.052
  523   2HG   LYS  68          2HG       LYS  68 -18.210   4.836  -4.519
  524   1HD   LYS  68          1HD       LYS  68 -18.711   2.664  -4.986
  525   2HD   LYS  68          2HD       LYS  68 -17.982   3.126  -6.527
  526   1HE   LYS  68          1HE       LYS  68 -15.785   2.306  -5.613
  527   2HE   LYS  68          2HE       LYS  68 -16.676   1.646  -4.235
  528   1HZ   LYS  68          1HZ       LYS  68 -17.944   0.794  -6.591
  529   2HZ   LYS  68          2HZ       LYS  68 -17.101  -0.147  -5.463
  530   3HZ   LYS  68          3HZ       LYS  68 -16.282   0.514  -6.791
  531    H    VAL  69           H        VAL  69 -13.278   7.060  -5.192
  532    HA   VAL  69           HA       VAL  69 -11.983   4.477  -4.693
  533    HB   VAL  69           HB       VAL  69 -10.620   6.571  -6.327
  534   1HG1  VAL  69          1HG1      VAL  69  -9.263   4.645  -7.112
  535   2HG1  VAL  69          2HG1      VAL  69 -10.178   3.612  -6.010
  536   3HG1  VAL  69          3HG1      VAL  69  -9.180   4.914  -5.369
  537   1HG2  VAL  69          1HG2      VAL  69 -12.241   4.290  -7.462
  538   2HG2  VAL  69          2HG2      VAL  69 -11.213   5.384  -8.390
  539   3HG2  VAL  69          3HG2      VAL  69 -12.651   6.003  -7.576
  540    H    TYR  70           H        TYR  70 -10.989   4.586  -2.896
  541    HA   TYR  70           HA       TYR  70  -9.751   7.055  -1.984
  542   1HB   TYR  70          1HB       TYR  70  -9.707   4.401  -0.574
  543   2HB   TYR  70          2HB       TYR  70  -9.282   5.954   0.095
  544    HD1  TYR  70           HD1      TYR  70 -10.966   4.429   1.702
  545    HD2  TYR  70           HD2      TYR  70 -12.072   6.815  -1.631
  546    HE1  TYR  70           HE1      TYR  70 -13.227   4.675   2.640
  547    HE2  TYR  70           HE2      TYR  70 -14.341   7.060  -0.720
  548    HH   TYR  70           HH       TYR  70 -15.852   5.816   0.863
  549    H    LEU  71           H        LEU  71  -7.912   7.329  -2.865
  550    HA   LEU  71           HA       LEU  71  -6.293   5.076  -3.700
  551   1HB   LEU  71          1HB       LEU  71  -6.416   6.655  -5.472
  552   2HB   LEU  71          2HB       LEU  71  -6.078   8.002  -4.391
  553    HG   LEU  71           HG       LEU  71  -3.804   7.029  -3.987
  554   1HD1  LEU  71          1HD1      LEU  71  -4.186   4.737  -4.550
  555   2HD1  LEU  71          2HD1      LEU  71  -2.944   5.391  -5.618
  556   3HD1  LEU  71          3HD1      LEU  71  -4.590   5.165  -6.214
  557   1HD2  LEU  71          1HD2      LEU  71  -4.152   8.854  -5.586
  558   2HD2  LEU  71          2HD2      LEU  71  -4.358   7.666  -6.875
  559   3HD2  LEU  71          3HD2      LEU  71  -2.814   7.796  -6.028
  560    H    PHE  72           H        PHE  72  -5.255   4.366  -2.104
  561    HA   PHE  72           HA       PHE  72  -3.740   6.114  -0.374
  562   1HB   PHE  72          1HB       PHE  72  -4.021   3.150  -0.543
  563   2HB   PHE  72          2HB       PHE  72  -3.002   3.946   0.637
  564    HD1  PHE  72           HD1      PHE  72  -6.489   3.443  -0.467
  565    HD2  PHE  72           HD2      PHE  72  -3.914   4.821   2.624
  566    HE1  PHE  72           HE1      PHE  72  -8.416   3.618   1.054
  567    HE2  PHE  72           HE2      PHE  72  -5.832   4.996   4.152
  568    HZ   PHE  72           HZ       PHE  72  -8.083   4.346   3.378
  569    H    GLU  73           H        GLU  73  -1.981   6.788  -1.182
  570    HA   GLU  73           HA       GLU  73  -0.523   5.129  -3.072
  571   1HB   GLU  73          1HB       GLU  73   0.198   7.181  -4.236
  572   2HB   GLU  73          2HB       GLU  73  -1.514   6.845  -4.380
  573   1HG   GLU  73          1HG       GLU  73  -1.928   8.915  -3.716
  574   2HG   GLU  73          2HG       GLU  73  -1.207   8.533  -2.149
  575    H    LEU  74           H        LEU  74   1.464   4.913  -2.803
  576    HA   LEU  74           HA       LEU  74   2.652   5.998  -0.396
  577   1HB   LEU  74          1HB       LEU  74   3.658   3.795  -2.163
  578   2HB   LEU  74          2HB       LEU  74   4.314   4.239  -0.605
  579    HG   LEU  74           HG       LEU  74   2.044   2.543  -1.303
  580   1HD1  LEU  74          1HD1      LEU  74   2.702   1.518   0.859
  581   2HD1  LEU  74          2HD1      LEU  74   3.952   2.764   0.978
  582   3HD1  LEU  74          3HD1      LEU  74   3.984   1.604  -0.351
  583   1HD2  LEU  74          1HD2      LEU  74   0.792   2.990   0.752
  584   2HD2  LEU  74          2HD2      LEU  74   0.787   4.384  -0.331
  585   3HD2  LEU  74          3HD2      LEU  74   1.845   4.368   1.084
  586    H    HIS  75           H        HIS  75   4.128   7.323  -0.522
  587    HA   HIS  75           HA       HIS  75   5.794   7.390  -2.945
  588   1HB   HIS  75          1HB       HIS  75   5.171   9.686  -1.056
  589   2HB   HIS  75          2HB       HIS  75   6.462   9.729  -2.247
  590    HD1  HIS  75           HD1      HIS  75   4.896  11.913  -2.932
  591    HD2  HIS  75           HD2      HIS  75   3.442   8.130  -3.846
  592    HE1  HIS  75           HE1      HIS  75   3.117  12.274  -4.661
  593    HE2  HIS  75           HE2      HIS  75   2.036  10.017  -4.917
  594    H    ILE  76           H        ILE  76   7.206   5.955  -2.324
  595    HA   ILE  76           HA       ILE  76   8.435   6.375   0.309
  596    HB   ILE  76           HB       ILE  76   8.007   3.761  -1.089
  597   1HG1  ILE  76          1HG1      ILE  76   6.642   5.002   1.287
  598   2HG1  ILE  76          2HG1      ILE  76   5.883   4.359  -0.192
  599   1HG2  ILE  76          1HG2      ILE  76  10.099   3.847   0.186
  600   2HG2  ILE  76          2HG2      ILE  76   8.933   2.744   0.926
  601   3HG2  ILE  76          3HG2      ILE  76   9.183   4.346   1.613
  602   1HD1  ILE  76          1HD1      ILE  76   5.539   2.885   1.703
  603   2HD1  ILE  76          2HD1      ILE  76   7.284   2.741   1.930
  604   3HD1  ILE  76          3HD1      ILE  76   6.528   2.106   0.468
  605    H    THR  77           H        THR  77  10.210   7.292  -0.243
  606    HA   THR  77           HA       THR  77  11.635   6.402  -2.550
  607    HB   THR  77           HB       THR  77  12.776   8.539  -2.509
  608    HG1  THR  77           HG1      THR  77  12.872   9.399  -0.561
  609   1HG2  THR  77          1HG2      THR  77  10.963   9.909  -3.194
  610   2HG2  THR  77          2HG2      THR  77   9.835   9.000  -2.189
  611   3HG2  THR  77          3HG2      THR  77  10.551   8.242  -3.616
  612    H    ASP  78           H        ASP  78  13.823   6.833  -2.345
  613    HA   ASP  78           HA       ASP  78  15.807   5.897  -1.760
  614   1HB   ASP  78          1HB       ASP  78  15.120   7.444   0.677
  615   2HB   ASP  78          2HB       ASP  78  16.710   6.927   0.154
  616    H    ALA  79           H        ALA  79  14.633   3.945  -1.649
  617    HA   ALA  79           HA       ALA  79  13.899   2.672   0.749
  618   1HB   ALA  79          1HB       ALA  79  13.937   0.588  -0.550
  619   2HB   ALA  79          2HB       ALA  79  14.714   1.441  -1.883
  620   3HB   ALA  79          3HB       ALA  79  13.074   1.875  -1.396
  621    H    GLN  80           H        GLN  80  15.219   2.232   2.333
  622    HA   GLN  80           HA       GLN  80  18.019   1.971   2.080
  623   1HB   GLN  80          1HB       GLN  80  17.782   2.372   4.268
  624   2HB   GLN  80          2HB       GLN  80  16.052   2.081   4.162
  625   1HG   GLN  80          1HG       GLN  80  16.213   0.005   5.027
  626   2HG   GLN  80          2HG       GLN  80  17.763  -0.321   4.252
  627   1HE2  GLN  80          1HE2      GLN  80  19.652   0.320   5.258
  628   2HE2  GLN  80          2HE2      GLN  80  19.709   0.736   6.936
  629    HA   PRO  81           HA       PRO  81  18.442  -2.089   0.581
  630   1HB   PRO  81          1HB       PRO  81  20.589  -3.088   1.947
  631   2HB   PRO  81          2HB       PRO  81  20.722  -1.879   0.666
  632   1HG   PRO  81          1HG       PRO  81  20.734  -1.501   3.635
  633   2HG   PRO  81          2HG       PRO  81  21.752  -0.729   2.402
  634   1HD   PRO  81          1HD       PRO  81  19.631   0.524   3.503
  635   2HD   PRO  81          2HD       PRO  81  20.116   0.788   1.818
  636    H    ALA  82           H        ALA  82  17.698  -1.646   3.843
  637    HA   ALA  82           HA       ALA  82  17.120  -4.497   4.207
  638   1HB   ALA  82          1HB       ALA  82  16.927  -4.013   6.575
  639   2HB   ALA  82          2HB       ALA  82  17.132  -2.291   6.263
  640   3HB   ALA  82          3HB       ALA  82  18.466  -3.404   5.967
  641    H    PHE  83           H        PHE  83  15.613  -2.245   2.650
  642    HA   PHE  83           HA       PHE  83  13.127  -2.232   4.184
  643   1HB   PHE  83          1HB       PHE  83  14.359  -0.531   2.107
  644   2HB   PHE  83          2HB       PHE  83  12.626  -0.736   1.993
  645    HD1  PHE  83           HD1      PHE  83  13.775  -0.995   5.333
  646    HD2  PHE  83           HD2      PHE  83  12.740   1.825   2.314
  647    HE1  PHE  83           HE1      PHE  83  13.479   0.740   7.054
  648    HE2  PHE  83           HE2      PHE  83  12.455   3.564   4.026
  649    HZ   PHE  83           HZ       PHE  83  12.779   3.052   6.365
  650    H    THR  84           H        THR  84  14.613  -4.019   1.824
  651    HA   THR  84           HA       THR  84  13.317  -4.729  -0.225
  652    HB   THR  84           HB       THR  84  13.900  -6.801   1.853
  653    HG1  THR  84           HG1      THR  84  15.873  -6.511   0.073
  654   1HG2  THR  84          1HG2      THR  84  13.766  -6.870  -1.171
  655   2HG2  THR  84          2HG2      THR  84  12.701  -7.709  -0.039
  656   3HG2  THR  84          3HG2      THR  84  14.392  -8.190  -0.173
  657    H    GLY  85           H        GLY  85  11.471  -4.293  -0.476
  658   1HA   GLY  85          1HA       GLY  85   9.395  -4.181   1.244
  659   2HA   GLY  85          2HA       GLY  85   9.243  -4.127  -0.491
  660    H    GLY  86           H        GLY  86   8.753  -5.835   2.254
  661   1HA   GLY  86          1HA       GLY  86   6.922  -7.323   0.554
  662   2HA   GLY  86          2HA       GLY  86   7.332  -7.816   2.194
  663    H    TYR  87           H        TYR  87   6.166  -5.057   0.438
  664    HA   TYR  87           HA       TYR  87   4.615  -3.945   2.579
  665   1HB   TYR  87          1HB       TYR  87   4.386  -3.502  -0.416
  666   2HB   TYR  87          2HB       TYR  87   3.688  -2.494   0.845
  667    HD1  TYR  87           HD1      TYR  87   6.936  -3.697  -0.512
  668    HD2  TYR  87           HD2      TYR  87   4.892  -0.712   1.721
  669    HE1  TYR  87           HE1      TYR  87   8.980  -2.338  -0.453
  670    HE2  TYR  87           HE2      TYR  87   6.926   0.657   1.773
  671    HH   TYR  87           HH       TYR  87   9.341   0.356   1.590
  672    H    ARG  88           H        ARG  88   2.760  -4.969   3.264
  673    HA   ARG  88           HA       ARG  88   1.267  -6.592   1.308
  674   1HB   ARG  88          1HB       ARG  88   1.357  -6.736   4.329
  675   2HB   ARG  88          2HB       ARG  88   0.271  -7.688   3.329
  676   1HG   ARG  88          1HG       ARG  88   2.130  -8.836   2.325
  677   2HG   ARG  88          2HG       ARG  88   3.273  -7.804   3.193
  678   1HD   ARG  88          1HD       ARG  88   2.861 -10.083   4.198
  679   2HD   ARG  88          2HD       ARG  88   2.653  -8.708   5.286
  680    HE   ARG  88           HE       ARG  88   0.153  -9.108   4.332
  681   1HH1  ARG  88          1HH1      ARG  88   2.501 -11.205   5.855
  682   2HH1  ARG  88          2HH1      ARG  88   1.295 -12.257   6.543
  683   1HH2  ARG  88          1HH2      ARG  88  -1.412 -10.449   5.245
  684   2HH2  ARG  88          2HH2      ARG  88  -0.935 -11.843   6.172
  685    H    CYS  89           H        CYS  89  -0.442  -5.546   0.551
  686    HA   CYS  89           HA       CYS  89  -1.750  -3.620   2.323
  687   1HB   CYS  89          1HB       CYS  89  -0.963  -3.123  -0.132
  688   2HB   CYS  89          2HB       CYS  89  -2.489  -3.893  -0.536
  689    HG   CYS  89           HG       CYS  89  -1.943  -0.949   1.050
  690    H    GLU  90           H        GLU  90  -3.290  -4.402   3.386
  691    HA   GLU  90           HA       GLU  90  -5.065  -6.390   2.156
  692   1HB   GLU  90          1HB       GLU  90  -3.804  -6.347   4.853
  693   2HB   GLU  90          2HB       GLU  90  -5.462  -6.914   4.759
  694   1HG   GLU  90          1HG       GLU  90  -4.415  -8.891   4.497
  695   2HG   GLU  90          2HG       GLU  90  -4.471  -8.400   2.808
  696    H    VAL  91           H        VAL  91  -6.905  -5.378   1.709
  697    HA   VAL  91           HA       VAL  91  -7.913  -3.360   3.582
  698    HB   VAL  91           HB       VAL  91  -7.883  -2.654   1.276
  699   1HG1  VAL  91          1HG1      VAL  91  -9.249  -3.799  -0.421
  700   2HG1  VAL  91          2HG1      VAL  91  -9.628  -5.053   0.759
  701   3HG1  VAL  91          3HG1      VAL  91  -7.966  -4.829   0.211
  702   1HG2  VAL  91          1HG2      VAL  91 -10.220  -1.986   1.001
  703   2HG2  VAL  91          2HG2      VAL  91  -9.715  -1.836   2.683
  704   3HG2  VAL  91          3HG2      VAL  91 -10.714  -3.200   2.181
  705    H    SER  92           H        SER  92  -9.796  -3.556   4.587
  706    HA   SER  92           HA       SER  92 -11.370  -5.988   4.159
  707   1HB   SER  92          1HB       SER  92  -9.838  -6.424   6.060
  708   2HB   SER  92          2HB       SER  92 -10.466  -4.996   6.874
  709    HG   SER  92           HG       SER  92 -12.106  -7.182   6.079
  710    H    THR  93           H        THR  93 -13.181  -5.198   3.505
  711    HA   THR  93           HA       THR  93 -14.473  -3.023   5.024
  712    HB   THR  93           HB       THR  93 -15.066  -3.376   2.174
  713    HG1  THR  93           HG1      THR  93 -12.610  -3.126   2.804
  714   1HG2  THR  93          1HG2      THR  93 -14.828  -0.971   3.952
  715   2HG2  THR  93          2HG2      THR  93 -16.322  -1.806   3.508
  716   3HG2  THR  93          3HG2      THR  93 -15.380  -0.958   2.277
  717    H    LYS  94           H        LYS  94 -16.686  -3.263   5.161
  718    HA   LYS  94           HA       LYS  94 -18.284  -4.717   5.983
  719   1HB   LYS  94          1HB       LYS  94 -19.561  -5.580   3.781
  720   2HB   LYS  94          2HB       LYS  94 -19.689  -3.960   4.418
  721   1HG   LYS  94          1HG       LYS  94 -19.414  -3.663   2.129
  722   2HG   LYS  94          2HG       LYS  94 -17.817  -3.351   2.789
  723   1HD   LYS  94          1HD       LYS  94 -17.834  -4.698   0.698
  724   2HD   LYS  94          2HD       LYS  94 -17.020  -5.463   2.058
  725   1HE   LYS  94          1HE       LYS  94 -18.468  -6.968   0.684
  726   2HE   LYS  94          2HE       LYS  94 -18.814  -6.959   2.409
  727   1HZ   LYS  94          1HZ       LYS  94 -20.756  -5.723   2.070
  728   2HZ   LYS  94          2HZ       LYS  94 -20.768  -6.933   0.880
  729   3HZ   LYS  94          3HZ       LYS  94 -20.349  -5.335   0.474
  730    H    ASP  95           H        ASP  95 -17.173  -6.432   3.153
  731    HA   ASP  95           HA       ASP  95 -16.655  -8.853   4.561
  732   1HB   ASP  95          1HB       ASP  95 -19.142  -8.709   4.113
  733   2HB   ASP  95          2HB       ASP  95 -18.753  -8.880   2.417
  734    H    LYS  96           H        LYS  96 -15.970  -6.725   2.151
  735    HA   LYS  96           HA       LYS  96 -14.926  -8.690   0.315
  736   1HB   LYS  96          1HB       LYS  96 -15.667  -5.950  -0.192
  737   2HB   LYS  96          2HB       LYS  96 -13.935  -6.098  -0.369
  738   1HG   LYS  96          1HG       LYS  96 -14.343  -8.080  -1.817
  739   2HG   LYS  96          2HG       LYS  96 -16.057  -7.660  -1.758
  740   1HD   LYS  96          1HD       LYS  96 -15.783  -5.760  -2.977
  741   2HD   LYS  96          2HD       LYS  96 -14.091  -5.568  -2.510
  742   1HE   LYS  96          1HE       LYS  96 -14.624  -6.290  -4.905
  743   2HE   LYS  96          2HE       LYS  96 -13.368  -7.163  -4.029
  744   1HZ   LYS  96          1HZ       LYS  96 -16.165  -8.101  -4.085
  745   2HZ   LYS  96          2HZ       LYS  96 -14.755  -8.987  -3.728
  746   3HZ   LYS  96          3HZ       LYS  96 -15.075  -8.502  -5.321
  747    H    PHE  97           H        PHE  97 -13.044  -9.376   0.425
  748    HA   PHE  97           HA       PHE  97 -10.988  -7.849   1.854
  749   1HB   PHE  97          1HB       PHE  97 -11.938  -9.724   3.179
  750   2HB   PHE  97          2HB       PHE  97 -11.290 -10.826   1.978
  751    HD1  PHE  97           HD1      PHE  97  -9.895  -7.827   3.698
  752    HD2  PHE  97           HD2      PHE  97  -9.492 -11.970   2.836
  753    HE1  PHE  97           HE1      PHE  97  -7.720  -7.856   4.854
  754    HE2  PHE  97           HE2      PHE  97  -7.321 -12.007   3.992
  755    HZ   PHE  97           HZ       PHE  97  -6.468  -9.939   5.065
  756    H    ASP  98           H        ASP  98  -9.473  -7.418   0.649
  757    HA   ASP  98           HA       ASP  98  -8.559  -9.257  -1.435
  758   1HB   ASP  98          1HB       ASP  98  -9.181  -6.330  -1.848
  759   2HB   ASP  98          2HB       ASP  98  -8.149  -7.244  -2.933
  760    H    CYS  99           H        CYS  99  -6.370  -9.201  -1.780
  761    HA   CYS  99           HA       CYS  99  -4.826  -7.411  -0.049
  762   1HB   CYS  99          1HB       CYS  99  -4.185 -10.346  -0.224
  763   2HB   CYS  99          2HB       CYS  99  -3.604  -9.162   0.945
  764    HG   CYS  99           HG       CYS  99  -5.734  -9.136   2.537
  765    H    SER 100           H        SER 100  -2.839  -6.876  -0.784
  766    HA   SER 100           HA       SER 100  -1.929  -8.194  -3.257
  767   1HB   SER 100          1HB       SER 100  -1.190  -6.021  -4.141
  768   2HB   SER 100          2HB       SER 100  -2.927  -6.049  -3.874
  769    HG   SER 100           HG       SER 100  -1.181  -5.085  -1.892
  770    H    ASN 101           H        ASN 101  -0.066  -9.099  -2.919
  771    HA   ASN 101           HA       ASN 101   1.754  -7.929  -0.952
  772   1HB   ASN 101          1HB       ASN 101   2.877 -10.047  -0.820
  773   2HB   ASN 101          2HB       ASN 101   1.157 -10.334  -0.668
  774   1HD2  ASN 101          1HD2      ASN 101   0.914 -10.002  -3.704
  775   2HD2  ASN 101          2HD2      ASN 101   1.426 -11.536  -4.285
  776    H    PHE 102           H        PHE 102   3.512  -6.843  -1.594
  777    HA   PHE 102           HA       PHE 102   4.552  -7.417  -4.237
  778   1HB   PHE 102          1HB       PHE 102   4.593  -4.933  -4.752
  779   2HB   PHE 102          2HB       PHE 102   3.054  -5.767  -4.904
  780    HD1  PHE 102           HD1      PHE 102   4.847  -3.106  -3.345
  781    HD2  PHE 102           HD2      PHE 102   1.370  -5.527  -3.080
  782    HE1  PHE 102           HE1      PHE 102   3.793  -1.433  -1.907
  783    HE2  PHE 102           HE2      PHE 102   0.313  -3.851  -1.643
  784    HZ   PHE 102           HZ       PHE 102   1.521  -1.802  -1.038
  785    H    ASN 103           H        ASN 103   6.609  -7.063  -4.466
  786    HA   ASN 103           HA       ASN 103   8.052  -6.620  -1.974
  787   1HB   ASN 103          1HB       ASN 103   9.060  -7.975  -4.444
  788   2HB   ASN 103          2HB       ASN 103   9.634  -8.127  -2.824
  789   1HD2  ASN 103          1HD2      ASN 103   7.137  -9.025  -5.011
  790   2HD2  ASN 103          2HD2      ASN 103   6.566 -10.359  -4.080
  791    H    LEU 104           H        LEU 104   9.442  -5.122  -1.840
  792    HA   LEU 104           HA       LEU 104  10.305  -3.655  -4.241
  793   1HB   LEU 104          1HB       LEU 104   9.771  -1.885  -2.946
  794   2HB   LEU 104          2HB       LEU 104   9.934  -2.775  -1.435
  795    HG   LEU 104           HG       LEU 104  12.476  -2.481  -2.473
  796   1HD1  LEU 104          1HD1      LEU 104  12.627  -0.012  -2.776
  797   2HD1  LEU 104          2HD1      LEU 104  10.864  -0.004  -2.880
  798   3HD1  LEU 104          3HD1      LEU 104  11.814  -0.889  -4.072
  799   1HD2  LEU 104          1HD2      LEU 104  12.081  -2.402  -0.130
  800   2HD2  LEU 104          2HD2      LEU 104  11.051  -0.977  -0.309
  801   3HD2  LEU 104          3HD2      LEU 104  12.787  -0.854  -0.607
  802    H    THR 105           H        THR 105  12.061  -4.529  -5.051
  803    HA   THR 105           HA       THR 105  13.939  -5.840  -3.261
  804    HB   THR 105           HB       THR 105  14.181  -5.639  -6.257
  805    HG1  THR 105           HG1      THR 105  12.260  -6.883  -4.887
  806   1HG2  THR 105          1HG2      THR 105  15.484  -7.708  -5.973
  807   2HG2  THR 105          2HG2      THR 105  15.237  -7.607  -4.229
  808   3HG2  THR 105          3HG2      THR 105  16.176  -6.366  -5.060
  809    H    VAL 106           H        VAL 106  15.014  -4.260  -2.258
  810    HA   VAL 106           HA       VAL 106  16.012  -2.003  -3.691
  811    HB   VAL 106           HB       VAL 106  15.152  -1.510  -1.492
  812   1HG1  VAL 106          1HG1      VAL 106  16.261  -2.354   0.537
  813   2HG1  VAL 106          2HG1      VAL 106  17.097  -3.533  -0.479
  814   3HG1  VAL 106          3HG1      VAL 106  15.333  -3.552  -0.363
  815   1HG2  VAL 106          1HG2      VAL 106  16.968  -0.126  -2.232
  816   2HG2  VAL 106          2HG2      VAL 106  18.140  -1.287  -1.600
  817   3HG2  VAL 106          3HG2      VAL 106  17.097  -0.401  -0.491
  818    H    HIS 107           H        HIS 107  17.691  -2.073  -4.646
  819    HA   HIS 107           HA       HIS 107  19.555  -4.248  -4.359
  820   1HB   HIS 107          1HB       HIS 107  19.254  -2.116  -6.477
  821   2HB   HIS 107          2HB       HIS 107  20.551  -3.315  -6.477
  822    HD1  HIS 107           HD1      HIS 107  19.535  -5.897  -6.244
  823    HD2  HIS 107           HD2      HIS 107  17.111  -2.962  -7.931
  824    HE1  HIS 107           HE1      HIS 107  17.722  -7.126  -7.479
  825    HE2  HIS 107           HE2      HIS 107  16.393  -5.351  -8.652
  826    H    GLU 108           H        GLU 108  20.663  -3.883  -2.693
  827    HA   GLU 108           HA       GLU 108  21.999  -1.505  -1.985
  828   1HB   GLU 108          1HB       GLU 108  21.515  -3.342  -0.412
  829   2HB   GLU 108          2HB       GLU 108  22.662  -4.362  -1.268
  830   1HG   GLU 108          1HG       GLU 108  24.461  -2.796  -0.673
  831   2HG   GLU 108          2HG       GLU 108  23.295  -1.842   0.249
  832    H    ALA 109           H        ALA 109  23.061  -4.454  -3.620
  833    HA   ALA 109           HA       ALA 109  24.734  -4.885  -5.086
  834   1HB   ALA 109          1HB       ALA 109  23.634  -3.120  -6.385
  835   2HB   ALA 109          2HB       ALA 109  25.379  -3.125  -6.636
  836   3HB   ALA 109          3HB       ALA 109  24.642  -1.909  -5.593
  837    H    MET 110           H        MET 110  25.457  -4.505  -2.371
  838    HA   MET 110           HA       MET 110  27.823  -2.915  -2.183
  839   1HB   MET 110          1HB       MET 110  26.605  -3.407  -0.158
  840   2HB   MET 110          2HB       MET 110  26.752  -5.137  -0.437
  841   1HG   MET 110          1HG       MET 110  29.203  -4.931  -0.185
  842   2HG   MET 110          2HG       MET 110  28.989  -3.224   0.201
  843   1HE   MET 110          1HE       MET 110  30.416  -3.683   2.387
  844   2HE   MET 110          2HE       MET 110  30.509  -5.421   2.092
  845   3HE   MET 110          3HE       MET 110  29.952  -4.818   3.652
  Start of MODEL   16
    1    H    ASP   1           H        ASP   1 -18.971 -11.516   0.608
    2    HA   ASP   1           HA       ASP   1 -17.850  -9.471   0.153
    3   1HB   ASP   1          1HB       ASP   1 -16.285  -9.267  -1.687
    4   2HB   ASP   1          2HB       ASP   1 -15.745 -10.568  -0.632
    5    H    ASP   2           H        ASP   2 -19.415  -8.372  -0.440
    6    HA   ASP   2           HA       ASP   2 -21.136  -8.859  -2.665
    7   1HB   ASP   2          1HB       ASP   2 -21.906  -7.678  -0.694
    8   2HB   ASP   2          2HB       ASP   2 -20.596  -6.513  -0.849
    9    HA   PRO   3           HA       PRO   3 -18.585  -7.065  -5.879
   10   1HB   PRO   3          1HB       PRO   3 -21.046  -5.791  -6.925
   11   2HB   PRO   3          2HB       PRO   3 -19.919  -6.894  -7.720
   12   1HG   PRO   3          1HG       PRO   3 -22.308  -7.748  -6.944
   13   2HG   PRO   3          2HG       PRO   3 -20.872  -8.776  -6.750
   14   1HD   PRO   3          1HD       PRO   3 -22.305  -7.117  -4.698
   15   2HD   PRO   3          2HD       PRO   3 -21.673  -8.772  -4.560
   16    H    ILE   4           H        ILE   4 -18.316  -5.552  -3.662
   17    HA   ILE   4           HA       ILE   4 -18.659  -2.778  -4.110
   18    HB   ILE   4           HB       ILE   4 -16.913  -4.475  -2.397
   19   1HG1  ILE   4          1HG1      ILE   4 -17.760  -2.862  -0.658
   20   2HG1  ILE   4          2HG1      ILE   4 -18.741  -2.129  -1.923
   21   1HG2  ILE   4          1HG2      ILE   4 -16.315  -1.566  -2.906
   22   2HG2  ILE   4          2HG2      ILE   4 -15.262  -2.945  -3.236
   23   3HG2  ILE   4          3HG2      ILE   4 -15.661  -2.519  -1.572
   24   1HD1  ILE   4          1HD1      ILE   4 -19.878  -4.237  -2.265
   25   2HD1  ILE   4          2HD1      ILE   4 -20.020  -3.688  -0.595
   26   3HD1  ILE   4          3HD1      ILE   4 -18.888  -4.981  -1.009
   27    H    GLY   5           H        GLY   5 -15.948  -4.966  -4.632
   28   1HA   GLY   5          1HA       GLY   5 -14.439  -4.977  -6.457
   29   2HA   GLY   5          2HA       GLY   5 -15.116  -3.436  -6.978
   30    H    LEU   6           H        LEU   6 -13.889  -4.626  -3.980
   31    HA   LEU   6           HA       LEU   6 -13.082  -2.204  -2.922
   32   1HB   LEU   6          1HB       LEU   6 -13.486  -4.624  -1.973
   33   2HB   LEU   6          2HB       LEU   6 -11.758  -4.773  -2.193
   34    HG   LEU   6           HG       LEU   6 -11.368  -2.963  -0.658
   35   1HD1  LEU   6          1HD1      LEU   6 -13.414  -1.662  -1.220
   36   2HD1  LEU   6          2HD1      LEU   6 -13.099  -1.815   0.507
   37   3HD1  LEU   6          3HD1      LEU   6 -14.334  -2.814  -0.251
   38   1HD2  LEU   6          1HD2      LEU   6 -12.167  -4.043   1.352
   39   2HD2  LEU   6          2HD2      LEU   6 -11.583  -5.217   0.169
   40   3HD2  LEU   6          3HD2      LEU   6 -13.316  -4.970   0.386
   41    H    PHE   7           H        PHE   7 -11.351  -4.602  -4.769
   42    HA   PHE   7           HA       PHE   7  -8.913  -3.046  -4.566
   43   1HB   PHE   7          1HB       PHE   7  -9.487  -5.812  -4.725
   44   2HB   PHE   7          2HB       PHE   7  -8.586  -5.376  -6.180
   45    HD1  PHE   7           HD1      PHE   7  -8.318  -3.965  -2.748
   46    HD2  PHE   7           HD2      PHE   7  -6.474  -6.239  -5.834
   47    HE1  PHE   7           HE1      PHE   7  -6.219  -3.982  -1.476
   48    HE2  PHE   7           HE2      PHE   7  -4.377  -6.260  -4.569
   49    HZ   PHE   7           HZ       PHE   7  -4.242  -5.134  -2.391
   50    H    VAL   8           H        VAL   8  -9.597  -1.345  -5.784
   51    HA   VAL   8           HA       VAL   8 -10.506  -1.620  -8.478
   52    HB   VAL   8           HB       VAL   8  -9.358   0.836  -7.146
   53   1HG1  VAL   8          1HG1      VAL   8  -9.573   1.086  -9.531
   54   2HG1  VAL   8          2HG1      VAL   8 -10.823   2.036  -8.729
   55   3HG1  VAL   8          3HG1      VAL   8 -11.233   0.493  -9.478
   56   1HG2  VAL   8          1HG2      VAL   8 -12.216  -0.136  -7.155
   57   2HG2  VAL   8          2HG2      VAL   8 -11.640   1.386  -6.476
   58   3HG2  VAL   8          3HG2      VAL   8 -11.132  -0.148  -5.763
   59    H    MET   9           H        MET   9  -7.443  -0.915  -6.899
   60    HA   MET   9           HA       MET   9  -6.047  -1.933  -9.216
   61   1HB   MET   9          1HB       MET   9  -6.152   0.513  -9.628
   62   2HB   MET   9          2HB       MET   9  -5.323   0.760  -8.099
   63   1HG   MET   9          1HG       MET   9  -3.752   0.925  -9.917
   64   2HG   MET   9          2HG       MET   9  -3.409  -0.504  -8.944
   65   1HE   MET   9          1HE       MET   9  -4.842   0.888 -12.286
   66   2HE   MET   9          2HE       MET   9  -6.237   0.011 -11.652
   67   3HE   MET   9          3HE       MET   9  -5.416  -0.575 -13.094
   68    H    ARG  10           H        ARG  10  -4.310  -3.057  -8.636
   69    HA   ARG  10           HA       ARG  10  -3.543  -2.987  -5.813
   70   1HB   ARG  10          1HB       ARG  10  -2.674  -5.286  -6.198
   71   2HB   ARG  10          2HB       ARG  10  -4.415  -5.149  -6.389
   72   1HG   ARG  10          1HG       ARG  10  -4.114  -5.071  -8.835
   73   2HG   ARG  10          2HG       ARG  10  -2.379  -5.292  -8.608
   74   1HD   ARG  10          1HD       ARG  10  -4.429  -7.227  -7.557
   75   2HD   ARG  10          2HD       ARG  10  -3.717  -7.370  -9.162
   76    HE   ARG  10           HE       ARG  10  -1.627  -7.173  -7.326
   77   1HH1  ARG  10          1HH1      ARG  10  -4.232  -9.370  -8.115
   78   2HH1  ARG  10          2HH1      ARG  10  -3.371 -10.790  -7.610
   79   1HH2  ARG  10          1HH2      ARG  10  -0.484  -9.050  -6.643
   80   2HH2  ARG  10          2HH2      ARG  10  -1.268 -10.598  -6.724
   81    HA   PRO  11           HA       PRO  11   0.361  -1.531  -7.230
   82   1HB   PRO  11          1HB       PRO  11   1.526  -2.050  -4.668
   83   2HB   PRO  11          2HB       PRO  11   0.953  -0.506  -5.306
   84   1HG   PRO  11          1HG       PRO  11  -0.197  -1.946  -3.213
   85   2HG   PRO  11          2HG       PRO  11  -0.965  -0.625  -4.114
   86   1HD   PRO  11          1HD       PRO  11  -1.351  -3.556  -4.333
   87   2HD   PRO  11          2HD       PRO  11  -2.490  -2.234  -4.655
   88    H    GLN  12           H        GLN  12   2.066  -2.444  -8.136
   89    HA   GLN  12           HA       GLN  12   2.589  -5.292  -7.818
   90   1HB   GLN  12          1HB       GLN  12   4.459  -4.346  -9.580
   91   2HB   GLN  12          2HB       GLN  12   2.891  -5.003 -10.029
   92   1HG   GLN  12          1HG       GLN  12   3.246  -2.955 -11.199
   93   2HG   GLN  12          2HG       GLN  12   1.970  -2.717 -10.016
   94   1HE2  GLN  12          1HE2      GLN  12   3.786  -2.368  -7.691
   95   2HE2  GLN  12          2HE2      GLN  12   4.549  -0.812  -7.965
   96    H    ASP  13           H        ASP  13   5.193  -5.695  -8.112
   97    HA   ASP  13           HA       ASP  13   6.359  -4.873  -5.696
   98   1HB   ASP  13          1HB       ASP  13   8.284  -6.161  -6.864
   99   2HB   ASP  13          2HB       ASP  13   6.868  -7.051  -6.349
  100    H    GLY  14           H        GLY  14   8.940  -4.977  -7.159
  101   1HA   GLY  14          1HA       GLY  14   9.593  -2.984  -8.785
  102   2HA   GLY  14          2HA       GLY  14   9.266  -2.112  -7.299
  103    H    GLU  15           H        GLU  15  11.628  -2.776  -8.955
  104    HA   GLU  15           HA       GLU  15  13.407  -3.465  -6.717
  105   1HB   GLU  15          1HB       GLU  15  13.962  -3.707  -9.685
  106   2HB   GLU  15          2HB       GLU  15  15.140  -3.981  -8.416
  107   1HG   GLU  15          1HG       GLU  15  13.516  -5.791  -7.590
  108   2HG   GLU  15          2HG       GLU  15  12.798  -5.654  -9.196
  109    H    VAL  16           H        VAL  16  14.469  -1.750  -5.957
  110    HA   VAL  16           HA       VAL  16  15.104   0.398  -7.741
  111    HB   VAL  16           HB       VAL  16  14.202   2.015  -6.388
  112   1HG1  VAL  16          1HG1      VAL  16  11.869   1.502  -6.029
  113   2HG1  VAL  16          2HG1      VAL  16  12.231  -0.219  -6.127
  114   3HG1  VAL  16          3HG1      VAL  16  12.447   0.810  -7.543
  115   1HG2  VAL  16          1HG2      VAL  16  15.126   1.239  -4.252
  116   2HG2  VAL  16          2HG2      VAL  16  13.842   0.032  -4.156
  117   3HG2  VAL  16          3HG2      VAL  16  13.443   1.749  -4.084
  118    H    THR  17           H        THR  17  16.687   1.696  -6.725
  119    HA   THR  17           HA       THR  17  18.669   0.105  -5.355
  120    HB   THR  17           HB       THR  17  19.394   2.850  -5.976
  121    HG1  THR  17           HG1      THR  17  19.339   2.086  -8.376
  122   1HG2  THR  17          1HG2      THR  17  20.405   0.187  -6.964
  123   2HG2  THR  17          2HG2      THR  17  21.024   1.077  -5.571
  124   3HG2  THR  17          3HG2      THR  17  21.212   1.736  -7.197
  125    H    VAL  18           H        VAL  18  19.746   0.914  -3.410
  126    HA   VAL  18           HA       VAL  18  18.168   2.340  -1.578
  127    HB   VAL  18           HB       VAL  18  21.133   2.239  -1.407
  128   1HG1  VAL  18          1HG1      VAL  18  18.999   2.314   0.696
  129   2HG1  VAL  18          2HG1      VAL  18  19.995   3.672   0.173
  130   3HG1  VAL  18          3HG1      VAL  18  20.737   2.300   0.997
  131   1HG2  VAL  18          1HG2      VAL  18  20.299  -0.054  -1.835
  132   2HG2  VAL  18          2HG2      VAL  18  19.278   0.103  -0.399
  133   3HG2  VAL  18          3HG2      VAL  18  21.034   0.131  -0.241
  134    H    GLY  19           H        GLY  19  17.646   4.126  -2.054
  135   1HA   GLY  19          1HA       GLY  19  18.170   6.481  -1.655
  136   2HA   GLY  19          2HA       GLY  19  19.634   6.223  -2.594
  137    H    GLY  20           H        GLY  20  16.901   4.625  -3.967
  138   1HA   GLY  20          1HA       GLY  20  16.642   6.820  -5.870
  139   2HA   GLY  20          2HA       GLY  20  16.107   5.170  -6.095
  140    H    SER  21           H        SER  21  14.153   5.126  -6.186
  141    HA   SER  21           HA       SER  21  12.527   5.958  -4.048
  142   1HB   SER  21          1HB       SER  21  10.918   6.975  -5.619
  143   2HB   SER  21          2HB       SER  21  12.374   7.887  -5.366
  144    HG   SER  21           HG       SER  21  12.789   7.736  -7.420
  145    H    ILE  22           H        ILE  22  10.455   5.129  -4.245
  146    HA   ILE  22           HA       ILE  22   9.770   3.310  -6.299
  147    HB   ILE  22           HB       ILE  22  10.756   1.875  -4.591
  148   1HG1  ILE  22          1HG1      ILE  22   8.871   0.329  -4.391
  149   2HG1  ILE  22          2HG1      ILE  22   7.788   1.601  -4.916
  150   1HG2  ILE  22          1HG2      ILE  22  10.244   3.182  -2.598
  151   2HG2  ILE  22          2HG2      ILE  22   9.674   1.518  -2.448
  152   3HG2  ILE  22          3HG2      ILE  22   8.534   2.811  -2.813
  153   1HD1  ILE  22          1HD1      ILE  22   8.304   0.057  -6.724
  154   2HD1  ILE  22          2HD1      ILE  22  10.023   0.408  -6.541
  155   3HD1  ILE  22          3HD1      ILE  22   8.915   1.674  -7.071
  156    H    THR  23           H        THR  23   7.656   2.996  -6.321
  157    HA   THR  23           HA       THR  23   5.971   4.806  -4.793
  158    HB   THR  23           HB       THR  23   5.756   4.821  -7.789
  159    HG1  THR  23           HG1      THR  23   7.466   6.173  -6.134
  160   1HG2  THR  23          1HG2      THR  23   3.701   5.355  -6.528
  161   2HG2  THR  23          2HG2      THR  23   4.307   6.756  -7.412
  162   3HG2  THR  23          3HG2      THR  23   4.569   6.632  -5.674
  163    H    PHE  24           H        PHE  24   4.281   3.851  -4.200
  164    HA   PHE  24           HA       PHE  24   3.154   1.703  -5.823
  165   1HB   PHE  24          1HB       PHE  24   3.178   1.907  -2.814
  166   2HB   PHE  24          2HB       PHE  24   2.411   0.642  -3.747
  167    HD1  PHE  24           HD1      PHE  24   4.151  -0.456  -5.538
  168    HD2  PHE  24           HD2      PHE  24   5.149   1.335  -1.806
  169    HE1  PHE  24           HE1      PHE  24   6.209  -1.795  -5.450
  170    HE2  PHE  24           HE2      PHE  24   7.211  -0.008  -1.715
  171    HZ   PHE  24           HZ       PHE  24   7.740  -1.579  -3.536
  172    H    SER  25           H        SER  25   0.939   1.665  -5.851
  173    HA   SER  25           HA       SER  25  -0.553   3.678  -4.452
  174   1HB   SER  25          1HB       SER  25  -0.974   3.202  -7.383
  175   2HB   SER  25          2HB       SER  25  -1.722   4.421  -6.383
  176    HG   SER  25           HG       SER  25   0.853   4.798  -6.139
  177    H    ALA  26           H        ALA  26  -2.316   2.931  -3.743
  178    HA   ALA  26           HA       ALA  26  -3.385   0.361  -4.693
  179   1HB   ALA  26          1HB       ALA  26  -2.149   0.838  -2.207
  180   2HB   ALA  26          2HB       ALA  26  -3.022  -0.603  -2.713
  181   3HB   ALA  26          3HB       ALA  26  -3.875   0.698  -1.880
  182    H    ARG  27           H        ARG  27  -5.380   0.620  -5.399
  183    HA   ARG  27           HA       ARG  27  -6.871   2.995  -4.506
  184   1HB   ARG  27          1HB       ARG  27  -7.170   1.376  -7.042
  185   2HB   ARG  27          2HB       ARG  27  -8.075   2.827  -6.641
  186   1HG   ARG  27          1HG       ARG  27  -5.997   4.123  -6.645
  187   2HG   ARG  27          2HG       ARG  27  -5.096   2.661  -7.050
  188   1HD   ARG  27          1HD       ARG  27  -5.370   3.625  -9.126
  189   2HD   ARG  27          2HD       ARG  27  -6.749   2.528  -9.048
  190    HE   ARG  27           HE       ARG  27  -7.690   4.912  -8.070
  191   1HH1  ARG  27          1HH1      ARG  27  -6.139   3.869 -11.018
  192   2HH1  ARG  27          2HH1      ARG  27  -6.941   5.048 -12.014
  193   1HH2  ARG  27          1HH2      ARG  27  -8.729   6.496  -9.347
  194   2HH2  ARG  27          2HH2      ARG  27  -8.425   6.539 -11.062
  195    H    VAL  28           H        VAL  28  -8.685   2.710  -3.341
  196    HA   VAL  28           HA       VAL  28  -9.842   0.041  -3.289
  197    HB   VAL  28           HB       VAL  28  -9.645   1.831  -0.879
  198   1HG1  VAL  28          1HG1      VAL  28 -11.468   0.127  -0.983
  199   2HG1  VAL  28          2HG1      VAL  28 -10.330  -0.113   0.347
  200   3HG1  VAL  28          3HG1      VAL  28 -10.225  -1.121  -1.095
  201   1HG2  VAL  28          1HG2      VAL  28  -7.399   1.258  -1.501
  202   2HG2  VAL  28          2HG2      VAL  28  -7.844  -0.433  -1.723
  203   3HG2  VAL  28          3HG2      VAL  28  -7.863   0.276  -0.112
  204    H    ALA  29           H        ALA  29 -11.786  -0.030  -3.620
  205    HA   ALA  29           HA       ALA  29 -13.465   2.018  -4.426
  206   1HB   ALA  29          1HB       ALA  29 -15.181   0.313  -4.505
  207   2HB   ALA  29          2HB       ALA  29 -14.184  -0.754  -3.515
  208   3HB   ALA  29          3HB       ALA  29 -13.657  -0.311  -5.137
  209    H    GLY  30           H        GLY  30 -14.092   3.559  -3.164
  210   1HA   GLY  30          1HA       GLY  30 -14.948   3.608  -0.551
  211   2HA   GLY  30          2HA       GLY  30 -15.709   4.543  -1.836
  212    H    ALA  31           H        ALA  31 -17.215   3.241  -3.232
  213    HA   ALA  31           HA       ALA  31 -18.942   1.829  -3.637
  214   1HB   ALA  31          1HB       ALA  31 -17.545   0.086  -1.639
  215   2HB   ALA  31          2HB       ALA  31 -17.190   0.178  -3.364
  216   3HB   ALA  31          3HB       ALA  31 -18.752  -0.433  -2.818
  217    H    SER  32           H        SER  32 -20.539   0.253  -2.511
  218    HA   SER  32           HA       SER  32 -21.826   1.650  -0.303
  219   1HB   SER  32          1HB       SER  32 -23.607  -0.214  -0.947
  220   2HB   SER  32          2HB       SER  32 -23.422   1.234  -1.935
  221    HG   SER  32           HG       SER  32 -23.038  -1.334  -2.631
  222    H    LEU  33           H        LEU  33 -21.176   0.995   1.653
  223    HA   LEU  33           HA       LEU  33 -20.977  -1.765   2.323
  224   1HB   LEU  33          1HB       LEU  33 -18.682  -1.739   2.981
  225   2HB   LEU  33          2HB       LEU  33 -18.806  -1.305   1.299
  226    HG   LEU  33           HG       LEU  33 -17.747   0.203   3.608
  227   1HD1  LEU  33          1HD1      LEU  33 -17.042   0.371   0.696
  228   2HD1  LEU  33          2HD1      LEU  33 -16.471  -0.921   1.744
  229   3HD1  LEU  33          3HD1      LEU  33 -16.040   0.751   2.098
  230   1HD2  LEU  33          1HD2      LEU  33 -19.059   1.645   1.304
  231   2HD2  LEU  33          2HD2      LEU  33 -17.992   2.370   2.507
  232   3HD2  LEU  33          3HD2      LEU  33 -19.547   1.710   3.000
  233    H    LEU  34           H        LEU  34 -20.215  -1.956   4.699
  234    HA   LEU  34           HA       LEU  34 -22.098  -0.598   6.264
  235   1HB   LEU  34          1HB       LEU  34 -20.932  -2.840   6.700
  236   2HB   LEU  34          2HB       LEU  34 -19.606  -1.887   7.344
  237    HG   LEU  34           HG       LEU  34 -21.253  -0.840   8.932
  238   1HD1  LEU  34          1HD1      LEU  34 -23.298  -1.381   7.714
  239   2HD1  LEU  34          2HD1      LEU  34 -23.340  -2.019   9.358
  240   3HD1  LEU  34          3HD1      LEU  34 -23.019  -3.099   8.000
  241   1HD2  LEU  34          1HD2      LEU  34 -19.686  -2.564   9.627
  242   2HD2  LEU  34          2HD2      LEU  34 -20.830  -3.815   9.137
  243   3HD2  LEU  34          3HD2      LEU  34 -21.228  -2.726  10.467
  244    H    LYS  35           H        LYS  35 -18.585  -0.245   6.073
  245    HA   LYS  35           HA       LYS  35 -18.838   2.599   6.459
  246   1HB   LYS  35          1HB       LYS  35 -16.948   2.552   8.189
  247   2HB   LYS  35          2HB       LYS  35 -18.554   2.126   8.745
  248   1HG   LYS  35          1HG       LYS  35 -16.972   0.657   9.767
  249   2HG   LYS  35          2HG       LYS  35 -17.919  -0.268   8.605
  250   1HD   LYS  35          1HD       LYS  35 -16.143  -0.457   7.123
  251   2HD   LYS  35          2HD       LYS  35 -15.291   0.921   7.814
  252   1HE   LYS  35          1HE       LYS  35 -15.750  -1.620   9.354
  253   2HE   LYS  35          2HE       LYS  35 -14.348  -1.396   8.307
  254   1HZ   LYS  35          1HZ       LYS  35 -13.885   0.671   9.630
  255   2HZ   LYS  35          2HZ       LYS  35 -13.680  -0.782  10.474
  256   3HZ   LYS  35          3HZ       LYS  35 -15.066   0.157  10.737
  257    HA   PRO  36           HA       PRO  36 -15.621   3.041   3.458
  258   1HB   PRO  36          1HB       PRO  36 -14.013   4.253   5.683
  259   2HB   PRO  36          2HB       PRO  36 -14.223   4.817   4.019
  260   1HG   PRO  36          1HG       PRO  36 -15.577   5.949   5.996
  261   2HG   PRO  36          2HG       PRO  36 -16.351   5.641   4.429
  262   1HD   PRO  36          1HD       PRO  36 -16.713   4.244   7.027
  263   2HD   PRO  36          2HD       PRO  36 -17.864   4.468   5.693
  264    HA   PRO  37           HA       PRO  37 -13.321  -0.666   4.086
  265   1HB   PRO  37          1HB       PRO  37 -11.190   0.237   2.364
  266   2HB   PRO  37          2HB       PRO  37 -12.343  -1.070   2.117
  267   1HG   PRO  37          1HG       PRO  37 -12.340   1.363   0.766
  268   2HG   PRO  37          2HG       PRO  37 -13.670   0.197   0.822
  269   1HD   PRO  37          1HD       PRO  37 -13.444   2.809   2.088
  270   2HD   PRO  37          2HD       PRO  37 -14.877   1.770   1.868
  271    H    VAL  38           H        VAL  38 -11.746  -1.352   5.382
  272    HA   VAL  38           HA       VAL  38  -9.897   0.601   6.482
  273    HB   VAL  38           HB       VAL  38  -9.928  -2.146   7.527
  274   1HG1  VAL  38          1HG1      VAL  38  -9.549  -0.967   9.669
  275   2HG1  VAL  38          2HG1      VAL  38  -9.667   0.563   8.801
  276   3HG1  VAL  38          3HG1      VAL  38  -8.369  -0.567   8.420
  277   1HG2  VAL  38          1HG2      VAL  38 -12.303  -1.770   7.379
  278   2HG2  VAL  38          2HG2      VAL  38 -12.133  -0.206   8.175
  279   3HG2  VAL  38          3HG2      VAL  38 -11.796  -1.691   9.067
  280    H    VAL  39           H        VAL  39  -8.302   0.615   5.310
  281    HA   VAL  39           HA       VAL  39  -7.136  -1.788   4.182
  282    HB   VAL  39           HB       VAL  39  -6.293   0.965   3.408
  283   1HG1  VAL  39          1HG1      VAL  39  -5.770  -0.137   1.266
  284   2HG1  VAL  39          2HG1      VAL  39  -6.317  -1.664   1.962
  285   3HG1  VAL  39          3HG1      VAL  39  -4.920  -0.832   2.648
  286   1HG2  VAL  39          1HG2      VAL  39  -7.945   1.121   1.678
  287   2HG2  VAL  39          2HG2      VAL  39  -8.766   0.875   3.218
  288   3HG2  VAL  39          3HG2      VAL  39  -8.585  -0.470   2.092
  289    H    LYS  40           H        LYS  40  -5.596  -2.406   5.386
  290    HA   LYS  40           HA       LYS  40  -3.867  -0.562   6.746
  291   1HB   LYS  40          1HB       LYS  40  -3.098  -2.555   8.002
  292   2HB   LYS  40          2HB       LYS  40  -4.777  -2.160   8.252
  293   1HG   LYS  40          1HG       LYS  40  -4.972  -4.404   7.967
  294   2HG   LYS  40          2HG       LYS  40  -5.078  -3.892   6.282
  295   1HD   LYS  40          1HD       LYS  40  -3.475  -5.518   6.068
  296   2HD   LYS  40          2HD       LYS  40  -2.434  -4.140   6.428
  297   1HE   LYS  40          1HE       LYS  40  -1.701  -5.913   7.814
  298   2HE   LYS  40          2HE       LYS  40  -2.595  -4.802   8.853
  299   1HZ   LYS  40          1HZ       LYS  40  -3.142  -7.165   9.229
  300   2HZ   LYS  40          2HZ       LYS  40  -3.742  -7.262   7.645
  301   3HZ   LYS  40          3HZ       LYS  40  -4.494  -6.242   8.778
  302    H    TRP  41           H        TRP  41  -2.076  -0.246   6.117
  303    HA   TRP  41           HA       TRP  41  -0.790  -1.837   4.076
  304   1HB   TRP  41          1HB       TRP  41  -0.118   0.784   5.395
  305   2HB   TRP  41          2HB       TRP  41   0.891   0.015   4.174
  306    HD1  TRP  41           HD1      TRP  41  -2.480   1.764   4.597
  307    HE1  TRP  41           HE1      TRP  41  -3.240   2.506   2.221
  308    HE3  TRP  41           HE3      TRP  41   1.008  -0.661   1.808
  309    HZ2  TRP  41           HZ2      TRP  41  -2.529   2.006  -0.439
  310    HZ3  TRP  41           HZ3      TRP  41   0.893  -0.506  -0.635
  311    HH2  TRP  41           HH2      TRP  41  -0.844   0.790  -1.729
  312    H    PHE  42           H        PHE  42   1.074  -2.858   4.285
  313    HA   PHE  42           HA       PHE  42   2.424  -2.952   6.899
  314   1HB   PHE  42          1HB       PHE  42   1.137  -5.095   6.271
  315   2HB   PHE  42          2HB       PHE  42   2.269  -5.233   4.934
  316    HD1  PHE  42           HD1      PHE  42   4.703  -5.575   5.399
  317    HD2  PHE  42           HD2      PHE  42   1.728  -5.786   8.441
  318    HE1  PHE  42           HE1      PHE  42   6.285  -6.793   6.856
  319    HE2  PHE  42           HE2      PHE  42   3.291  -7.008   9.891
  320    HZ   PHE  42           HZ       PHE  42   5.565  -7.513   9.098
  321    H    LYS  43           H        LYS  43   4.604  -2.550   6.660
  322    HA   LYS  43           HA       LYS  43   5.423  -2.088   3.878
  323   1HB   LYS  43          1HB       LYS  43   5.689  -0.066   5.013
  324   2HB   LYS  43          2HB       LYS  43   6.343  -0.831   6.458
  325   1HG   LYS  43          1HG       LYS  43   8.377  -1.373   5.295
  326   2HG   LYS  43          2HG       LYS  43   7.713  -0.776   3.773
  327   1HD   LYS  43          1HD       LYS  43   9.194   0.856   4.695
  328   2HD   LYS  43          2HD       LYS  43   7.539   1.458   4.776
  329   1HE   LYS  43          1HE       LYS  43   7.408   0.909   7.117
  330   2HE   LYS  43          2HE       LYS  43   9.001   0.154   7.063
  331   1HZ   LYS  43          1HZ       LYS  43   8.361   3.025   6.741
  332   2HZ   LYS  43          2HZ       LYS  43   9.878   2.367   6.393
  333   3HZ   LYS  43          3HZ       LYS  43   9.277   2.302   7.972
  334    H    GLY  44           H        GLY  44   6.714  -3.792   3.187
  335   1HA   GLY  44          1HA       GLY  44   7.538  -5.599   5.273
  336   2HA   GLY  44          2HA       GLY  44   7.747  -5.849   3.557
  337    H    LYS  45           H        LYS  45   9.172  -4.022   6.226
  338    HA   LYS  45           HA       LYS  45  11.475  -5.668   5.485
  339   1HB   LYS  45          1HB       LYS  45  11.482  -3.150   6.547
  340   2HB   LYS  45          2HB       LYS  45  11.375  -4.092   8.015
  341   1HG   LYS  45          1HG       LYS  45  13.431  -5.199   7.549
  342   2HG   LYS  45          2HG       LYS  45  13.515  -4.458   5.940
  343   1HD   LYS  45          1HD       LYS  45  14.290  -2.511   6.743
  344   2HD   LYS  45          2HD       LYS  45  13.205  -2.543   8.137
  345   1HE   LYS  45          1HE       LYS  45  15.426  -2.674   8.978
  346   2HE   LYS  45          2HE       LYS  45  14.713  -4.276   9.151
  347   1HZ   LYS  45          1HZ       LYS  45  16.753  -4.755   8.269
  348   2HZ   LYS  45          2HZ       LYS  45  16.804  -3.358   7.317
  349   3HZ   LYS  45          3HZ       LYS  45  15.820  -4.659   6.852
  350    H    TRP  46           H        TRP  46   9.395  -4.684   8.008
  351    HA   TRP  46           HA       TRP  46   8.220  -7.220   8.664
  352   1HB   TRP  46          1HB       TRP  46   8.925  -6.811  11.077
  353   2HB   TRP  46          2HB       TRP  46  10.145  -7.486  10.007
  354    HD1  TRP  46           HD1      TRP  46  11.945  -5.660   9.031
  355    HE1  TRP  46           HE1      TRP  46  12.873  -3.492  10.036
  356    HE3  TRP  46           HE3      TRP  46   8.531  -5.048  12.756
  357    HZ2  TRP  46           HZ2      TRP  46  12.268  -1.790  12.244
  358    HZ3  TRP  46           HZ3      TRP  46   8.772  -3.140  14.287
  359    HH2  TRP  46           HH2      TRP  46  10.595  -1.544  14.032
  360    H    VAL  47           H        VAL  47   7.837  -4.057   8.213
  361    HA   VAL  47           HA       VAL  47   6.853  -3.201  10.716
  362    HB   VAL  47           HB       VAL  47   7.120  -1.042   8.936
  363   1HG1  VAL  47          1HG1      VAL  47   8.766  -0.301  10.580
  364   2HG1  VAL  47          2HG1      VAL  47   8.814  -1.934  11.245
  365   3HG1  VAL  47          3HG1      VAL  47   7.334  -0.983  11.354
  366   1HG2  VAL  47          1HG2      VAL  47   9.557  -2.814   8.941
  367   2HG2  VAL  47          2HG2      VAL  47   9.547  -1.122   8.451
  368   3HG2  VAL  47          3HG2      VAL  47   8.618  -2.304   7.533
  369    H    ASP  48           H        ASP  48   5.462  -1.428  10.490
  370    HA   ASP  48           HA       ASP  48   3.160  -1.826   8.749
  371   1HB   ASP  48          1HB       ASP  48   2.772  -2.137  11.196
  372   2HB   ASP  48          2HB       ASP  48   3.390  -0.505  11.474
  373    H    LEU  49           H        LEU  49   2.452   0.123   7.744
  374    HA   LEU  49           HA       LEU  49   4.519   2.098   7.496
  375   1HB   LEU  49          1HB       LEU  49   1.855   1.815   6.132
  376   2HB   LEU  49          2HB       LEU  49   2.832   3.257   5.973
  377    HG   LEU  49           HG       LEU  49   4.657   1.623   5.072
  378   1HD1  LEU  49          1HD1      LEU  49   3.865  -0.260   3.928
  379   2HD1  LEU  49          2HD1      LEU  49   2.179   0.124   4.286
  380   3HD1  LEU  49          3HD1      LEU  49   3.263  -0.418   5.580
  381   1HD2  LEU  49          1HD2      LEU  49   3.796   1.944   2.856
  382   2HD2  LEU  49          2HD2      LEU  49   3.492   3.385   3.831
  383   3HD2  LEU  49          3HD2      LEU  49   2.182   2.237   3.506
  384    H    SER  50           H        SER  50   1.414   1.909   9.064
  385    HA   SER  50           HA       SER  50   0.900   4.689   9.043
  386   1HB   SER  50          1HB       SER  50  -0.839   2.898   9.378
  387   2HB   SER  50          2HB       SER  50  -0.175   2.629  10.990
  388    HG   SER  50           HG       SER  50  -1.879   4.543  10.129
  389    H    SER  51           H        SER  51   2.995   2.683  10.734
  390    HA   SER  51           HA       SER  51   3.153   4.300  13.054
  391   1HB   SER  51          1HB       SER  51   4.559   1.830  12.140
  392   2HB   SER  51          2HB       SER  51   5.056   2.692  13.585
  393    HG   SER  51           HG       SER  51   2.351   1.988  13.249
  394    H    LYS  52           H        LYS  52   4.618   4.093  10.029
  395    HA   LYS  52           HA       LYS  52   6.955   5.600  10.871
  396   1HB   LYS  52          1HB       LYS  52   6.866   4.412   8.183
  397   2HB   LYS  52          2HB       LYS  52   8.154   4.446   9.357
  398   1HG   LYS  52          1HG       LYS  52   5.794   2.608   9.352
  399   2HG   LYS  52          2HG       LYS  52   7.442   2.187   8.893
  400   1HD   LYS  52          1HD       LYS  52   6.573   3.075  11.644
  401   2HD   LYS  52          2HD       LYS  52   6.813   1.394  11.157
  402   1HE   LYS  52          1HE       LYS  52   9.171   1.840  10.740
  403   2HE   LYS  52          2HE       LYS  52   8.943   3.549  11.106
  404   1HZ   LYS  52          1HZ       LYS  52   9.912   2.367  12.973
  405   2HZ   LYS  52          2HZ       LYS  52   8.590   1.311  13.031
  406   3HZ   LYS  52          3HZ       LYS  52   8.377   2.953  13.385
  407    H    VAL  53           H        VAL  53   5.113   5.263   7.938
  408    HA   VAL  53           HA       VAL  53   5.165   6.839   6.150
  409    HB   VAL  53           HB       VAL  53   2.826   6.974   8.033
  410   1HG1  VAL  53          1HG1      VAL  53   1.546   7.693   5.933
  411   2HG1  VAL  53          2HG1      VAL  53   3.113   8.255   5.327
  412   3HG1  VAL  53          3HG1      VAL  53   2.440   8.947   6.806
  413   1HG2  VAL  53          1HG2      VAL  53   1.821   5.497   6.407
  414   2HG2  VAL  53          2HG2      VAL  53   3.348   4.846   7.003
  415   3HG2  VAL  53          3HG2      VAL  53   3.270   5.598   5.408
  416    H    GLY  54           H        GLY  54   6.669   8.238   6.110
  417   1HA   GLY  54          1HA       GLY  54   6.048  10.929   7.029
  418   2HA   GLY  54          2HA       GLY  54   7.518  10.230   7.688
  419    H    GLN  55           H        GLN  55   9.161  11.221   6.731
  420    HA   GLN  55           HA       GLN  55   8.879  12.739   4.407
  421   1HB   GLN  55          1HB       GLN  55  11.317  11.865   5.929
  422   2HB   GLN  55          2HB       GLN  55  11.419  12.894   4.511
  423   1HG   GLN  55          1HG       GLN  55  11.501  14.239   6.499
  424   2HG   GLN  55          2HG       GLN  55   9.998  14.555   5.633
  425   1HE2  GLN  55          1HE2      GLN  55  11.442  13.005   8.400
  426   2HE2  GLN  55          2HE2      GLN  55   9.986  12.878   9.338
  427    H    HIS  56           H        HIS  56  10.221   9.463   4.739
  428    HA   HIS  56           HA       HIS  56  10.951   9.602   1.915
  429   1HB   HIS  56          1HB       HIS  56  12.428   7.861   2.210
  430   2HB   HIS  56          2HB       HIS  56  12.544   8.725   3.726
  431    HD1  HIS  56           HD1      HIS  56  11.094   5.588   2.248
  432    HD2  HIS  56           HD2      HIS  56  12.074   7.196   5.950
  433    HE1  HIS  56           HE1      HIS  56  10.812   3.704   3.885
  434    HE2  HIS  56           HE2      HIS  56  11.774   4.627   6.039
  435    H    LEU  57           H        LEU  57   8.913   7.820   4.064
  436    HA   LEU  57           HA       LEU  57   7.459   6.743   1.753
  437   1HB   LEU  57          1HB       LEU  57   8.305   4.943   3.090
  438   2HB   LEU  57          2HB       LEU  57   7.871   5.700   4.575
  439    HG   LEU  57           HG       LEU  57   6.538   3.604   3.204
  440   1HD1  LEU  57          1HD1      LEU  57   5.000   3.792   5.147
  441   2HD1  LEU  57          2HD1      LEU  57   5.879   5.243   5.619
  442   3HD1  LEU  57          3HD1      LEU  57   6.715   3.699   5.538
  443   1HD2  LEU  57          1HD2      LEU  57   5.309   5.241   1.852
  444   2HD2  LEU  57          2HD2      LEU  57   4.783   6.064   3.323
  445   3HD2  LEU  57          3HD2      LEU  57   4.252   4.413   2.997
  446    H    GLN  58           H        GLN  58   6.053   8.459   1.504
  447    HA   GLN  58           HA       GLN  58   4.285   9.057   3.700
  448   1HB   GLN  58          1HB       GLN  58   4.140  10.074   0.854
  449   2HB   GLN  58          2HB       GLN  58   3.317  10.726   2.259
  450   1HG   GLN  58          1HG       GLN  58   4.972  12.234   1.960
  451   2HG   GLN  58          2HG       GLN  58   5.737  11.168   3.117
  452   1HE2  GLN  58          1HE2      GLN  58   7.479   9.969   2.473
  453   2HE2  GLN  58          2HE2      GLN  58   8.271  10.189   0.952
  454    H    LEU  59           H        LEU  59   2.835   7.639   3.917
  455    HA   LEU  59           HA       LEU  59   1.599   6.270   1.673
  456   1HB   LEU  59          1HB       LEU  59   2.402   5.000   3.742
  457   2HB   LEU  59          2HB       LEU  59   1.190   5.852   4.658
  458    HG   LEU  59           HG       LEU  59   0.856   3.613   2.697
  459   1HD1  LEU  59          1HD1      LEU  59   1.062   2.835   4.814
  460   2HD1  LEU  59          2HD1      LEU  59  -0.695   3.069   4.722
  461   3HD1  LEU  59          3HD1      LEU  59   0.318   4.283   5.532
  462   1HD2  LEU  59          1HD2      LEU  59  -0.721   5.247   1.882
  463   2HD2  LEU  59          2HD2      LEU  59  -1.321   5.531   3.525
  464   3HD2  LEU  59          3HD2      LEU  59  -1.567   3.961   2.754
  465    H    HIS  60           H        HIS  60   0.451   7.909   0.852
  466    HA   HIS  60           HA       HIS  60  -1.299   9.465   2.483
  467   1HB   HIS  60          1HB       HIS  60  -0.254   9.731  -0.278
  468   2HB   HIS  60          2HB       HIS  60  -1.800  10.443   0.091
  469    HD1  HIS  60           HD1      HIS  60  -1.369  12.865   0.217
  470    HD2  HIS  60           HD2      HIS  60   1.498  10.653   2.266
  471    HE1  HIS  60           HE1      HIS  60   0.122  14.555   1.341
  472    HE2  HIS  60           HE2      HIS  60   1.935  13.202   2.444
  473    H    ASP  61           H        ASP  61  -3.280   9.822   1.675
  474    HA   ASP  61           HA       ASP  61  -4.593   7.705   0.265
  475   1HB   ASP  61          1HB       ASP  61  -6.413   7.697   1.868
  476   2HB   ASP  61          2HB       ASP  61  -4.934   7.030   2.502
  477    H    SER  62           H        SER  62  -5.380   8.574  -1.257
  478    HA   SER  62           HA       SER  62  -6.590  11.217  -1.185
  479   1HB   SER  62          1HB       SER  62  -6.270   9.495  -3.618
  480   2HB   SER  62          2HB       SER  62  -6.584  11.219  -3.561
  481    HG   SER  62           HG       SER  62  -4.224  10.001  -3.642
  482    H    TYR  63           H        TYR  63  -8.709  11.500  -2.027
  483    HA   TYR  63           HA       TYR  63 -10.352   9.149  -1.912
  484   1HB   TYR  63          1HB       TYR  63 -10.140   9.725   0.378
  485   2HB   TYR  63          2HB       TYR  63 -10.623  11.384   0.086
  486    HD1  TYR  63           HD1      TYR  63 -12.461  11.394   1.617
  487    HD2  TYR  63           HD2      TYR  63 -12.261   8.440  -1.440
  488    HE1  TYR  63           HE1      TYR  63 -14.778  10.739   2.106
  489    HE2  TYR  63           HE2      TYR  63 -14.580   7.780  -0.959
  490    HH   TYR  63           HH       TYR  63 -16.122   7.901   1.108
  491    H    ASP  64           H        ASP  64 -11.009   9.409  -3.807
  492    HA   ASP  64           HA       ASP  64 -12.567  11.779  -4.448
  493   1HB   ASP  64          1HB       ASP  64 -12.394  10.548  -6.769
  494   2HB   ASP  64          2HB       ASP  64 -11.169  11.648  -6.193
  495    H    ARG  65           H        ARG  65 -14.525  11.483  -3.894
  496    HA   ARG  65           HA       ARG  65 -15.722   8.907  -3.623
  497   1HB   ARG  65          1HB       ARG  65 -16.194  11.472  -2.596
  498   2HB   ARG  65          2HB       ARG  65 -17.633  11.057  -3.522
  499   1HG   ARG  65          1HG       ARG  65 -16.387   9.451  -1.315
  500   2HG   ARG  65          2HG       ARG  65 -17.912  10.339  -1.251
  501   1HD   ARG  65          1HD       ARG  65 -17.881   8.574  -3.511
  502   2HD   ARG  65          2HD       ARG  65 -17.508   7.663  -2.040
  503    HE   ARG  65           HE       ARG  65 -19.666   9.155  -1.329
  504   1HH1  ARG  65          1HH1      ARG  65 -19.019   6.975  -3.991
  505   2HH1  ARG  65          2HH1      ARG  65 -20.665   6.437  -4.128
  506   1HH2  ARG  65          1HH2      ARG  65 -21.846   8.481  -1.530
  507   2HH2  ARG  65          2HH2      ARG  65 -22.268   7.311  -2.746
  508    H    ALA  66           H        ALA  66 -15.800  11.465  -5.925
  509    HA   ALA  66           HA       ALA  66 -18.012  10.584  -7.445
  510   1HB   ALA  66          1HB       ALA  66 -17.163  12.878  -7.582
  511   2HB   ALA  66          2HB       ALA  66 -17.213  12.114  -9.171
  512   3HB   ALA  66          3HB       ALA  66 -15.677  12.281  -8.319
  513    H    SER  67           H        SER  67 -14.703   9.661  -7.290
  514    HA   SER  67           HA       SER  67 -15.074   7.880  -9.577
  515   1HB   SER  67          1HB       SER  67 -12.962   9.314  -9.341
  516   2HB   SER  67          2HB       SER  67 -12.504   8.211  -8.044
  517    HG   SER  67           HG       SER  67 -13.328   7.075 -10.451
  518    H    LYS  68           H        LYS  68 -15.250   8.025  -6.252
  519    HA   LYS  68           HA       LYS  68 -15.865   6.513  -4.674
  520   1HB   LYS  68          1HB       LYS  68 -17.105   5.595  -6.789
  521   2HB   LYS  68          2HB       LYS  68 -15.876   4.354  -6.724
  522   1HG   LYS  68          1HG       LYS  68 -16.663   4.174  -4.221
  523   2HG   LYS  68          2HG       LYS  68 -18.136   4.882  -4.891
  524   1HD   LYS  68          1HD       LYS  68 -18.580   2.661  -5.198
  525   2HD   LYS  68          2HD       LYS  68 -17.783   3.038  -6.726
  526   1HE   LYS  68          1HE       LYS  68 -15.626   2.302  -5.662
  527   2HE   LYS  68          2HE       LYS  68 -16.571   1.713  -4.287
  528   1HZ   LYS  68          1HZ       LYS  68 -16.222  -0.110  -5.745
  529   2HZ   LYS  68          2HZ       LYS  68 -16.674   0.778  -7.110
  530   3HZ   LYS  68          3HZ       LYS  68 -17.841   0.347  -5.956
  531    H    VAL  69           H        VAL  69 -13.080   6.971  -5.382
  532    HA   VAL  69           HA       VAL  69 -11.958   4.407  -4.538
  533    HB   VAL  69           HB       VAL  69 -10.408   6.384  -6.173
  534   1HG1  VAL  69          1HG1      VAL  69  -8.982   4.455  -6.639
  535   2HG1  VAL  69          2HG1      VAL  69 -10.037   3.442  -5.649
  536   3HG1  VAL  69          3HG1      VAL  69  -9.130   4.761  -4.907
  537   1HG2  VAL  69          1HG2      VAL  69 -12.332   5.721  -7.535
  538   2HG2  VAL  69          2HG2      VAL  69 -11.952   4.022  -7.250
  539   3HG2  VAL  69          3HG2      VAL  69 -10.838   5.032  -8.169
  540    H    TYR  70           H        TYR  70 -10.888   4.511  -2.765
  541    HA   TYR  70           HA       TYR  70  -9.624   6.979  -1.879
  542   1HB   TYR  70          1HB       TYR  70  -9.505   4.326  -0.471
  543   2HB   TYR  70          2HB       TYR  70  -9.034   5.878   0.168
  544    HD1  TYR  70           HD1      TYR  70 -10.485   7.050   1.544
  545    HD2  TYR  70           HD2      TYR  70 -12.032   4.035  -1.014
  546    HE1  TYR  70           HE1      TYR  70 -12.691   7.284   2.619
  547    HE2  TYR  70           HE2      TYR  70 -14.236   4.271   0.037
  548    HH   TYR  70           HH       TYR  70 -15.247   5.035   2.040
  549    H    LEU  71           H        LEU  71  -7.742   7.229  -2.765
  550    HA   LEU  71           HA       LEU  71  -6.239   4.875  -3.591
  551   1HB   LEU  71          1HB       LEU  71  -6.469   6.238  -5.492
  552   2HB   LEU  71          2HB       LEU  71  -6.171   7.710  -4.587
  553    HG   LEU  71           HG       LEU  71  -3.817   7.201  -4.405
  554   1HD1  LEU  71          1HD1      LEU  71  -4.386   4.612  -5.843
  555   2HD1  LEU  71          2HD1      LEU  71  -4.012   4.763  -4.126
  556   3HD1  LEU  71          3HD1      LEU  71  -2.804   5.205  -5.334
  557   1HD2  LEU  71          1HD2      LEU  71  -4.558   8.280  -6.463
  558   2HD2  LEU  71          2HD2      LEU  71  -4.787   6.701  -7.216
  559   3HD2  LEU  71          3HD2      LEU  71  -3.170   7.234  -6.755
  560    H    PHE  72           H        PHE  72  -5.175   4.301  -1.930
  561    HA   PHE  72           HA       PHE  72  -3.636   6.138  -0.368
  562   1HB   PHE  72          1HB       PHE  72  -3.790   3.151  -0.399
  563   2HB   PHE  72          2HB       PHE  72  -2.781   4.047   0.710
  564    HD1  PHE  72           HD1      PHE  72  -6.296   3.447  -0.302
  565    HD2  PHE  72           HD2      PHE  72  -3.648   4.860   2.713
  566    HE1  PHE  72           HE1      PHE  72  -8.173   3.574   1.284
  567    HE2  PHE  72           HE2      PHE  72  -5.519   4.994   4.302
  568    HZ   PHE  72           HZ       PHE  72  -7.785   4.349   3.590
  569    H    GLU  73           H        GLU  73  -1.900   6.819  -1.060
  570    HA   GLU  73           HA       GLU  73  -0.453   5.431  -3.187
  571   1HB   GLU  73          1HB       GLU  73   0.230   7.814  -3.908
  572   2HB   GLU  73          2HB       GLU  73  -1.370   7.219  -4.331
  573   1HG   GLU  73          1HG       GLU  73  -2.360   8.437  -2.482
  574   2HG   GLU  73          2HG       GLU  73  -0.769   8.981  -1.964
  575    H    LEU  74           H        LEU  74   1.426   5.019  -2.830
  576    HA   LEU  74           HA       LEU  74   2.762   5.895  -0.422
  577   1HB   LEU  74          1HB       LEU  74   3.489   3.825  -2.487
  578   2HB   LEU  74          2HB       LEU  74   4.445   4.160  -1.065
  579    HG   LEU  74           HG       LEU  74   3.121   2.128  -0.780
  580   1HD1  LEU  74          1HD1      LEU  74   2.119   2.713   1.344
  581   2HD1  LEU  74          2HD1      LEU  74   2.122   4.418   0.891
  582   3HD1  LEU  74          3HD1      LEU  74   3.649   3.566   1.122
  583   1HD2  LEU  74          1HD2      LEU  74   0.696   2.216  -0.634
  584   2HD2  LEU  74          2HD2      LEU  74   1.264   2.642  -2.248
  585   3HD2  LEU  74          3HD2      LEU  74   0.726   3.905  -1.140
  586    H    HIS  75           H        HIS  75   4.164   7.361  -0.556
  587    HA   HIS  75           HA       HIS  75   5.757   7.582  -3.016
  588   1HB   HIS  75          1HB       HIS  75   5.228   9.752  -0.955
  589   2HB   HIS  75          2HB       HIS  75   6.314   9.903  -2.331
  590    HD1  HIS  75           HD1      HIS  75   2.825  10.311  -1.323
  591    HD2  HIS  75           HD2      HIS  75   4.925   9.899  -4.881
  592    HE1  HIS  75           HE1      HIS  75   1.230  11.030  -3.129
  593    HE2  HIS  75           HE2      HIS  75   2.585  10.957  -5.250
  594    H    ILE  76           H        ILE  76   7.174   6.092  -2.461
  595    HA   ILE  76           HA       ILE  76   8.552   6.465   0.097
  596    HB   ILE  76           HB       ILE  76   8.135   3.915  -1.402
  597   1HG1  ILE  76          1HG1      ILE  76   6.828   4.806   1.168
  598   2HG1  ILE  76          2HG1      ILE  76   6.061   4.902  -0.419
  599   1HG2  ILE  76          1HG2      ILE  76   9.287   4.426   1.330
  600   2HG2  ILE  76          2HG2      ILE  76  10.184   3.883  -0.090
  601   3HG2  ILE  76          3HG2      ILE  76   8.975   2.832   0.647
  602   1HD1  ILE  76          1HD1      ILE  76   6.247   2.474  -0.646
  603   2HD1  ILE  76          2HD1      ILE  76   5.296   2.953   0.758
  604   3HD1  ILE  76          3HD1      ILE  76   6.955   2.389   0.968
  605    H    THR  77           H        THR  77  10.227   7.479  -0.495
  606    HA   THR  77           HA       THR  77  11.789   6.630  -2.731
  607    HB   THR  77           HB       THR  77  12.946   8.802  -2.492
  608    HG1  THR  77           HG1      THR  77  12.446   9.229  -0.305
  609   1HG2  THR  77          1HG2      THR  77   9.956   9.029  -2.840
  610   2HG2  THR  77          2HG2      THR  77  11.084   8.464  -4.073
  611   3HG2  THR  77          3HG2      THR  77  11.172  10.130  -3.492
  612    H    ASP  78           H        ASP  78  13.831   6.537  -2.482
  613    HA   ASP  78           HA       ASP  78  15.613   5.432  -1.773
  614   1HB   ASP  78          1HB       ASP  78  16.896   6.573  -0.144
  615   2HB   ASP  78          2HB       ASP  78  16.191   7.660  -1.305
  616    H    ALA  79           H        ALA  79  14.881   3.646  -1.456
  617    HA   ALA  79           HA       ALA  79  13.603   2.660   0.879
  618   1HB   ALA  79          1HB       ALA  79  13.868   0.460  -0.204
  619   2HB   ALA  79          2HB       ALA  79  14.886   1.216  -1.436
  620   3HB   ALA  79          3HB       ALA  79  13.186   1.669  -1.294
  621    H    GLN  80           H        GLN  80  14.432   1.714   2.632
  622    HA   GLN  80           HA       GLN  80  17.175   1.749   3.270
  623   1HB   GLN  80          1HB       GLN  80  15.565   1.742   5.052
  624   2HB   GLN  80          2HB       GLN  80  14.794   0.287   4.437
  625   1HG   GLN  80          1HG       GLN  80  15.994  -0.802   5.940
  626   2HG   GLN  80          2HG       GLN  80  17.368  -0.524   4.871
  627   1HE2  GLN  80          1HE2      GLN  80  18.864   1.071   5.396
  628   2HE2  GLN  80          2HE2      GLN  80  18.950   1.787   6.967
  629    HA   PRO  81           HA       PRO  81  18.625  -1.456   0.707
  630   1HB   PRO  81          1HB       PRO  81  20.818  -2.222   2.218
  631   2HB   PRO  81          2HB       PRO  81  20.779  -0.847   1.115
  632   1HG   PRO  81          1HG       PRO  81  20.431  -0.906   4.079
  633   2HG   PRO  81          2HG       PRO  81  21.308   0.264   3.076
  634   1HD   PRO  81          1HD       PRO  81  18.891   0.826   4.066
  635   2HD   PRO  81          2HD       PRO  81  19.365   1.359   2.439
  636    H    ALA  82           H        ALA  82  17.648  -2.131   3.934
  637    HA   ALA  82           HA       ALA  82  17.684  -4.997   3.289
  638   1HB   ALA  82          1HB       ALA  82  17.907  -3.735   6.017
  639   2HB   ALA  82          2HB       ALA  82  19.215  -4.491   5.107
  640   3HB   ALA  82          3HB       ALA  82  17.863  -5.469   5.677
  641    H    PHE  83           H        PHE  83  15.575  -2.925   2.738
  642    HA   PHE  83           HA       PHE  83  13.314  -3.671   4.395
  643   1HB   PHE  83          1HB       PHE  83  13.799  -2.121   1.875
  644   2HB   PHE  83          2HB       PHE  83  12.201  -2.781   2.117
  645    HD1  PHE  83           HD1      PHE  83  12.647  -2.269   5.309
  646    HD2  PHE  83           HD2      PHE  83  12.712   0.113   1.764
  647    HE1  PHE  83           HE1      PHE  83  12.017  -0.292   6.622
  648    HE2  PHE  83           HE2      PHE  83  12.087   2.086   3.092
  649    HZ   PHE  83           HZ       PHE  83  11.744   1.886   5.517
  650    H    THR  84           H        THR  84  14.518  -4.563   1.168
  651    HA   THR  84           HA       THR  84  13.401  -5.610  -0.516
  652    HB   THR  84           HB       THR  84  12.953  -7.749   1.539
  653    HG1  THR  84           HG1      THR  84  15.069  -7.558   1.823
  654   1HG2  THR  84          1HG2      THR  84  11.990  -8.215  -0.630
  655   2HG2  THR  84          2HG2      THR  84  13.423  -9.222  -0.425
  656   3HG2  THR  84          3HG2      THR  84  13.498  -7.772  -1.434
  657    H    GLY  85           H        GLY  85  11.876  -3.878  -0.035
  658   1HA   GLY  85          1HA       GLY  85   9.892  -3.859   1.844
  659   2HA   GLY  85          2HA       GLY  85   9.869  -2.918   0.382
  660    H    GLY  86           H        GLY  86   8.989  -5.800   1.856
  661   1HA   GLY  86          1HA       GLY  86   7.108  -6.498  -0.248
  662   2HA   GLY  86          2HA       GLY  86   7.482  -7.456   1.165
  663    H    TYR  87           H        TYR  87   5.914  -4.670   0.001
  664    HA   TYR  87           HA       TYR  87   4.630  -4.039   2.497
  665   1HB   TYR  87          1HB       TYR  87   4.243  -2.958  -0.303
  666   2HB   TYR  87          2HB       TYR  87   3.424  -2.339   1.122
  667    HD1  TYR  87           HD1      TYR  87   6.909  -3.021  -0.079
  668    HD2  TYR  87           HD2      TYR  87   4.303  -0.508   2.152
  669    HE1  TYR  87           HE1      TYR  87   8.759  -1.439   0.279
  670    HE2  TYR  87           HE2      TYR  87   6.144   1.068   2.537
  671    HH   TYR  87           HH       TYR  87   9.051   0.964   0.824
  672    H    ARG  88           H        ARG  88   3.034  -5.347   3.172
  673    HA   ARG  88           HA       ARG  88   1.394  -6.720   1.177
  674   1HB   ARG  88          1HB       ARG  88   1.444  -7.043   4.191
  675   2HB   ARG  88          2HB       ARG  88   0.532  -8.034   3.063
  676   1HG   ARG  88          1HG       ARG  88   2.593  -8.892   2.109
  677   2HG   ARG  88          2HG       ARG  88   3.535  -7.851   3.184
  678   1HD   ARG  88          1HD       ARG  88   2.587  -8.992   5.124
  679   2HD   ARG  88          2HD       ARG  88   1.635 -10.025   4.060
  680    HE   ARG  88           HE       ARG  88   4.453 -10.170   3.527
  681   1HH1  ARG  88          1HH1      ARG  88   1.886 -11.322   5.606
  682   2HH1  ARG  88          2HH1      ARG  88   2.688 -12.816   5.996
  683   1HH2  ARG  88          1HH2      ARG  88   5.500 -12.148   3.999
  684   2HH2  ARG  88          2HH2      ARG  88   4.743 -13.294   5.068
  685    H    CYS  89           H        CYS  89  -0.206  -5.458   0.482
  686    HA   CYS  89           HA       CYS  89  -1.458  -3.650   2.445
  687   1HB   CYS  89          1HB       CYS  89  -0.738  -2.902   0.095
  688   2HB   CYS  89          2HB       CYS  89  -2.140  -3.806  -0.469
  689    HG   CYS  89           HG       CYS  89  -2.055  -0.947   1.350
  690    H    GLU  90           H        GLU  90  -3.352  -4.085   3.286
  691    HA   GLU  90           HA       GLU  90  -4.996  -6.211   2.105
  692   1HB   GLU  90          1HB       GLU  90  -4.223  -5.979   5.024
  693   2HB   GLU  90          2HB       GLU  90  -5.307  -7.184   4.348
  694   1HG   GLU  90          1HG       GLU  90  -3.495  -8.155   3.083
  695   2HG   GLU  90          2HG       GLU  90  -2.401  -6.887   3.627
  696    H    VAL  91           H        VAL  91  -6.980  -5.394   1.767
  697    HA   VAL  91           HA       VAL  91  -7.964  -3.386   3.670
  698    HB   VAL  91           HB       VAL  91  -7.997  -2.474   1.466
  699   1HG1  VAL  91          1HG1      VAL  91  -7.885  -4.481   0.141
  700   2HG1  VAL  91          2HG1      VAL  91  -9.273  -3.524  -0.377
  701   3HG1  VAL  91          3HG1      VAL  91  -9.509  -4.941   0.647
  702   1HG2  VAL  91          1HG2      VAL  91  -9.877  -1.816   2.783
  703   2HG2  VAL  91          2HG2      VAL  91 -10.751  -3.286   2.363
  704   3HG2  VAL  91          3HG2      VAL  91 -10.431  -2.068   1.127
  705    H    SER  92           H        SER  92  -9.941  -3.592   4.583
  706    HA   SER  92           HA       SER  92 -11.351  -6.131   4.254
  707   1HB   SER  92          1HB       SER  92 -10.353  -5.133   6.940
  708   2HB   SER  92          2HB       SER  92 -11.350  -6.562   6.671
  709    HG   SER  92           HG       SER  92  -9.206  -6.717   5.090
  710    H    THR  93           H        THR  93 -13.330  -5.525   3.795
  711    HA   THR  93           HA       THR  93 -14.600  -3.471   5.482
  712    HB   THR  93           HB       THR  93 -15.677  -3.670   2.801
  713    HG1  THR  93           HG1      THR  93 -13.040  -3.637   3.015
  714   1HG2  THR  93          1HG2      THR  93 -15.283  -1.162   3.070
  715   2HG2  THR  93          2HG2      THR  93 -14.783  -1.552   4.713
  716   3HG2  THR  93          3HG2      THR  93 -16.422  -1.935   4.170
  717    H    LYS  94           H        LYS  94 -17.064  -3.604   5.108
  718    HA   LYS  94           HA       LYS  94 -18.488  -5.261   6.314
  719   1HB   LYS  94          1HB       LYS  94 -19.995  -5.657   4.111
  720   2HB   LYS  94          2HB       LYS  94 -19.987  -4.185   5.053
  721   1HG   LYS  94          1HG       LYS  94 -19.873  -3.561   2.778
  722   2HG   LYS  94          2HG       LYS  94 -18.286  -3.266   3.466
  723   1HD   LYS  94          1HD       LYS  94 -18.071  -4.194   1.259
  724   2HD   LYS  94          2HD       LYS  94 -17.490  -5.357   2.446
  725   1HE   LYS  94          1HE       LYS  94 -18.864  -6.341   0.608
  726   2HE   LYS  94          2HE       LYS  94 -19.446  -6.684   2.233
  727   1HZ   LYS  94          1HZ       LYS  94 -21.220  -5.226   1.993
  728   2HZ   LYS  94          2HZ       LYS  94 -21.146  -6.002   0.493
  729   3HZ   LYS  94          3HZ       LYS  94 -20.539  -4.436   0.661
  730    H    ASP  95           H        ASP  95 -17.528  -6.412   3.169
  731    HA   ASP  95           HA       ASP  95 -17.407  -9.128   4.041
  732   1HB   ASP  95          1HB       ASP  95 -19.818  -8.316   3.269
  733   2HB   ASP  95          2HB       ASP  95 -19.149  -8.624   1.680
  734    H    LYS  96           H        LYS  96 -16.294  -6.592   2.191
  735    HA   LYS  96           HA       LYS  96 -15.419  -8.251  -0.018
  736   1HB   LYS  96          1HB       LYS  96 -15.998  -5.419   0.074
  737   2HB   LYS  96          2HB       LYS  96 -14.321  -5.654  -0.314
  738   1HG   LYS  96          1HG       LYS  96 -16.429  -7.194  -1.733
  739   2HG   LYS  96          2HG       LYS  96 -16.075  -5.526  -2.190
  740   1HD   LYS  96          1HD       LYS  96 -14.270  -6.186  -3.328
  741   2HD   LYS  96          2HD       LYS  96 -13.627  -6.989  -1.894
  742   1HE   LYS  96          1HE       LYS  96 -13.866  -8.581  -3.697
  743   2HE   LYS  96          2HE       LYS  96 -14.992  -8.955  -2.395
  744   1HZ   LYS  96          1HZ       LYS  96 -16.685  -7.686  -3.744
  745   2HZ   LYS  96          2HZ       LYS  96 -16.207  -9.197  -4.345
  746   3HZ   LYS  96          3HZ       LYS  96 -15.591  -7.774  -5.042
  747    H    PHE  97           H        PHE  97 -13.511  -9.062   0.014
  748    HA   PHE  97           HA       PHE  97 -11.456  -7.861   1.715
  749   1HB   PHE  97          1HB       PHE  97 -12.472  -9.803   2.824
  750   2HB   PHE  97          2HB       PHE  97 -11.989 -10.811   1.468
  751    HD1  PHE  97           HD1      PHE  97 -10.441  -8.355   3.806
  752    HD2  PHE  97           HD2      PHE  97 -10.076 -12.040   1.717
  753    HE1  PHE  97           HE1      PHE  97  -8.256  -8.740   4.876
  754    HE2  PHE  97           HE2      PHE  97  -7.895 -12.434   2.776
  755    HZ   PHE  97           HZ       PHE  97  -6.982 -10.782   4.357
  756    H    ASP  98           H        ASP  98  -9.535  -7.704   0.908
  757    HA   ASP  98           HA       ASP  98  -8.621  -9.245  -1.366
  758   1HB   ASP  98          1HB       ASP  98  -9.199  -6.290  -1.571
  759   2HB   ASP  98          2HB       ASP  98  -8.024  -7.078  -2.609
  760    H    CYS  99           H        CYS  99  -6.370  -9.107  -1.654
  761    HA   CYS  99           HA       CYS  99  -4.870  -7.255   0.045
  762   1HB   CYS  99          1HB       CYS  99  -4.342 -10.231  -0.014
  763   2HB   CYS  99          2HB       CYS  99  -3.353  -9.035   0.812
  764    HG   CYS  99           HG       CYS  99  -6.172  -8.438   2.065
  765    H    SER 100           H        SER 100  -2.732  -6.859  -0.703
  766    HA   SER 100           HA       SER 100  -2.226  -7.852  -3.430
  767   1HB   SER 100          1HB       SER 100  -1.402  -5.560  -4.010
  768   2HB   SER 100          2HB       SER 100  -3.127  -5.645  -3.685
  769    HG   SER 100           HG       SER 100  -2.602  -4.003  -2.441
  770    H    ASN 101           H        ASN 101  -0.250  -8.519  -3.843
  771    HA   ASN 101           HA       ASN 101   1.850  -8.291  -1.864
  772   1HB   ASN 101          1HB       ASN 101   3.132  -9.728  -3.297
  773   2HB   ASN 101          2HB       ASN 101   1.481 -10.285  -3.537
  774   1HD2  ASN 101          1HD2      ASN 101   4.091  -8.401  -4.953
  775   2HD2  ASN 101          2HD2      ASN 101   3.437  -8.293  -6.550
  776    H    PHE 102           H        PHE 102   3.376  -6.564  -1.889
  777    HA   PHE 102           HA       PHE 102   4.502  -6.418  -4.507
  778   1HB   PHE 102          1HB       PHE 102   5.008  -3.888  -4.026
  779   2HB   PHE 102          2HB       PHE 102   3.622  -4.450  -4.927
  780    HD1  PHE 102           HD1      PHE 102   4.648  -2.156  -2.709
  781    HD2  PHE 102           HD2      PHE 102   1.521  -4.978  -3.223
  782    HE1  PHE 102           HE1      PHE 102   3.171  -0.778  -1.352
  783    HE2  PHE 102           HE2      PHE 102   0.050  -3.607  -1.838
  784    HZ   PHE 102           HZ       PHE 102   0.872  -1.508  -0.892
  785    H    ASN 103           H        ASN 103   6.592  -6.664  -4.531
  786    HA   ASN 103           HA       ASN 103   7.984  -6.326  -1.999
  787   1HB   ASN 103          1HB       ASN 103   9.616  -7.959  -3.169
  788   2HB   ASN 103          2HB       ASN 103   8.186  -8.556  -2.390
  789   1HD2  ASN 103          1HD2      ASN 103   6.550  -9.397  -3.648
  790   2HD2  ASN 103          2HD2      ASN 103   6.811  -9.794  -5.305
  791    H    LEU 104           H        LEU 104   9.491  -4.986  -1.884
  792    HA   LEU 104           HA       LEU 104  10.461  -3.676  -4.334
  793   1HB   LEU 104          1HB       LEU 104   9.749  -1.853  -3.210
  794   2HB   LEU 104          2HB       LEU 104   9.818  -2.641  -1.636
  795    HG   LEU 104           HG       LEU 104  12.432  -2.211  -2.616
  796   1HD1  LEU 104          1HD1      LEU 104  10.671   0.197  -2.721
  797   2HD1  LEU 104          2HD1      LEU 104  11.483  -0.576  -4.088
  798   3HD1  LEU 104          3HD1      LEU 104  12.432   0.215  -2.822
  799   1HD2  LEU 104          1HD2      LEU 104  12.729  -1.834  -0.437
  800   2HD2  LEU 104          2HD2      LEU 104  10.977  -1.874  -0.208
  801   3HD2  LEU 104          3HD2      LEU 104  11.782  -0.350  -0.568
  802    H    THR 105           H        THR 105  12.246  -4.631  -4.972
  803    HA   THR 105           HA       THR 105  14.101  -5.696  -3.021
  804    HB   THR 105           HB       THR 105  14.487  -5.607  -6.007
  805    HG1  THR 105           HG1      THR 105  12.564  -6.740  -5.629
  806   1HG2  THR 105          1HG2      THR 105  15.581  -7.447  -3.881
  807   2HG2  THR 105          2HG2      THR 105  16.464  -6.120  -4.637
  808   3HG2  THR 105          3HG2      THR 105  15.956  -7.509  -5.601
  809    H    VAL 106           H        VAL 106  14.995  -4.021  -2.031
  810    HA   VAL 106           HA       VAL 106  15.942  -1.716  -3.372
  811    HB   VAL 106           HB       VAL 106  15.116  -1.422  -1.127
  812   1HG1  VAL 106          1HG1      VAL 106  17.166  -3.418  -0.299
  813   2HG1  VAL 106          2HG1      VAL 106  15.407  -3.569  -0.228
  814   3HG1  VAL 106          3HG1      VAL 106  16.236  -2.402   0.805
  815   1HG2  VAL 106          1HG2      VAL 106  17.030  -0.295  -0.092
  816   2HG2  VAL 106          2HG2      VAL 106  16.849   0.091  -1.810
  817   3HG2  VAL 106          3HG2      VAL 106  18.087  -1.060  -1.280
  818    H    HIS 107           H        HIS 107  17.593  -1.723  -4.403
  819    HA   HIS 107           HA       HIS 107  19.609  -3.743  -4.332
  820   1HB   HIS 107          1HB       HIS 107  19.172  -1.290  -6.022
  821   2HB   HIS 107          2HB       HIS 107  20.647  -2.238  -6.140
  822    HD1  HIS 107           HD1      HIS 107  20.364  -3.210  -8.404
  823    HD2  HIS 107           HD2      HIS 107  17.020  -3.812  -6.003
  824    HE1  HIS 107           HE1      HIS 107  18.840  -4.724  -9.712
  825    HE2  HIS 107           HE2      HIS 107  16.942  -5.269  -8.146
  826    H    GLU 108           H        GLU 108  20.587  -3.534  -2.443
  827    HA   GLU 108           HA       GLU 108  21.915  -1.166  -1.578
  828   1HB   GLU 108          1HB       GLU 108  21.282  -3.029  -0.052
  829   2HB   GLU 108          2HB       GLU 108  22.487  -4.044  -0.833
  830   1HG   GLU 108          1HG       GLU 108  24.228  -2.428  -0.123
  831   2HG   GLU 108          2HG       GLU 108  22.987  -1.554   0.777
  832    H    ALA 109           H        ALA 109  22.758  -3.938  -3.537
  833    HA   ALA 109           HA       ALA 109  25.534  -3.174  -3.796
  834   1HB   ALA 109          1HB       ALA 109  25.704  -5.092  -5.310
  835   2HB   ALA 109          2HB       ALA 109  23.953  -5.305  -5.239
  836   3HB   ALA 109          3HB       ALA 109  24.930  -5.537  -3.789
  837    H    MET 110           H        MET 110  22.939  -1.729  -4.879
  838    HA   MET 110           HA       MET 110  22.447  -0.261  -6.525
  839   1HB   MET 110          1HB       MET 110  25.363  -0.596  -7.263
  840   2HB   MET 110          2HB       MET 110  24.295   0.660  -7.876
  841   1HG   MET 110          1HG       MET 110  25.043   0.282  -4.985
  842   2HG   MET 110          2HG       MET 110  25.778   1.447  -6.082
  843   1HE   MET 110          1HE       MET 110  24.413   2.111  -3.208
  844   2HE   MET 110          2HE       MET 110  23.621   3.634  -3.618
  845   3HE   MET 110          3HE       MET 110  25.245   3.292  -4.218
  Start of MODEL   17
    1    H    ASP   1           H        ASP   1 -18.744 -11.340   2.403
    2    HA   ASP   1           HA       ASP   1 -18.684  -9.144   1.482
    3   1HB   ASP   1          1HB       ASP   1 -17.003  -9.433  -0.226
    4   2HB   ASP   1          2HB       ASP   1 -16.776 -10.687   0.987
    5    H    ASP   2           H        ASP   2 -19.637  -7.718   0.274
    6    HA   ASP   2           HA       ASP   2 -21.753  -8.533  -1.502
    7   1HB   ASP   2          1HB       ASP   2 -20.875  -6.026  -0.121
    8   2HB   ASP   2          2HB       ASP   2 -22.192  -6.036  -1.279
    9    HA   PRO   3           HA       PRO   3 -19.774  -7.066  -5.237
   10   1HB   PRO   3          1HB       PRO   3 -22.149  -5.448  -5.892
   11   2HB   PRO   3          2HB       PRO   3 -21.444  -6.814  -6.767
   12   1HG   PRO   3          1HG       PRO   3 -23.763  -7.040  -5.431
   13   2HG   PRO   3          2HG       PRO   3 -22.605  -8.379  -5.516
   14   1HD   PRO   3          1HD       PRO   3 -23.110  -6.445  -3.285
   15   2HD   PRO   3          2HD       PRO   3 -22.816  -8.195  -3.214
   16    H    ILE   4           H        ILE   4 -18.332  -5.790  -3.957
   17    HA   ILE   4           HA       ILE   4 -18.819  -2.888  -4.089
   18    HB   ILE   4           HB       ILE   4 -17.163  -4.607  -2.284
   19   1HG1  ILE   4          1HG1      ILE   4 -17.985  -2.832  -0.640
   20   2HG1  ILE   4          2HG1      ILE   4 -19.007  -2.250  -1.948
   21   1HG2  ILE   4          1HG2      ILE   4 -15.473  -3.106  -3.170
   22   2HG2  ILE   4          2HG2      ILE   4 -15.870  -2.632  -1.520
   23   3HG2  ILE   4          3HG2      ILE   4 -16.513  -1.712  -2.878
   24   1HD1  ILE   4          1HD1      ILE   4 -20.064  -4.450  -2.078
   25   2HD1  ILE   4          2HD1      ILE   4 -20.242  -3.705  -0.488
   26   3HD1  ILE   4          3HD1      ILE   4 -19.058  -4.990  -0.732
   27    H    GLY   5           H        GLY   5 -16.148  -5.195  -4.357
   28   1HA   GLY   5          1HA       GLY   5 -14.650  -5.404  -6.184
   29   2HA   GLY   5          2HA       GLY   5 -15.289  -3.894  -6.825
   30    H    LEU   6           H        LEU   6 -14.243  -4.726  -3.660
   31    HA   LEU   6           HA       LEU   6 -13.221  -2.329  -2.881
   32   1HB   LEU   6          1HB       LEU   6 -13.700  -4.665  -1.719
   33   2HB   LEU   6          2HB       LEU   6 -11.965  -4.840  -1.906
   34    HG   LEU   6           HG       LEU   6 -11.582  -2.894  -0.537
   35   1HD1  LEU   6          1HD1      LEU   6 -13.622  -1.639  -1.250
   36   2HD1  LEU   6          2HD1      LEU   6 -13.306  -1.614   0.485
   37   3HD1  LEU   6          3HD1      LEU   6 -14.553  -2.674  -0.164
   38   1HD2  LEU   6          1HD2      LEU   6 -13.575  -4.772   0.668
   39   2HD2  LEU   6          2HD2      LEU   6 -12.441  -3.756   1.558
   40   3HD2  LEU   6          3HD2      LEU   6 -11.840  -5.047   0.517
   41    H    PHE   7           H        PHE   7 -11.604  -4.976  -4.495
   42    HA   PHE   7           HA       PHE   7  -9.095  -3.548  -4.474
   43   1HB   PHE   7          1HB       PHE   7  -9.839  -6.269  -4.434
   44   2HB   PHE   7          2HB       PHE   7  -9.000  -5.995  -5.962
   45    HD1  PHE   7           HD1      PHE   7  -8.673  -5.599  -2.276
   46    HD2  PHE   7           HD2      PHE   7  -6.698  -5.774  -6.043
   47    HE1  PHE   7           HE1      PHE   7  -6.501  -5.691  -1.131
   48    HE2  PHE   7           HE2      PHE   7  -4.529  -5.868  -4.903
   49    HZ   PHE   7           HZ       PHE   7  -4.418  -5.831  -2.451
   50    H    VAL   8           H        VAL   8  -9.758  -1.865  -5.791
   51    HA   VAL   8           HA       VAL   8 -10.728  -2.239  -8.457
   52    HB   VAL   8           HB       VAL   8  -9.396   0.220  -7.297
   53   1HG1  VAL   8          1HG1      VAL   8 -10.737   1.421  -8.957
   54   2HG1  VAL   8          2HG1      VAL   8 -11.369  -0.110  -9.560
   55   3HG1  VAL   8          3HG1      VAL   8  -9.651   0.261  -9.726
   56   1HG2  VAL   8          1HG2      VAL   8 -11.622   0.959  -6.649
   57   2HG2  VAL   8          2HG2      VAL   8 -11.237  -0.575  -5.862
   58   3HG2  VAL   8          3HG2      VAL   8 -12.317  -0.542  -7.256
   59    H    MET   9           H        MET   9  -7.639  -1.322  -7.026
   60    HA   MET   9           HA       MET   9  -6.219  -2.580  -9.205
   61   1HB   MET   9          1HB       MET   9  -6.527  -0.243  -9.990
   62   2HB   MET   9          2HB       MET   9  -5.694   0.305  -8.545
   63   1HG   MET   9          1HG       MET   9  -4.174   0.302 -10.397
   64   2HG   MET   9          2HG       MET   9  -3.704  -0.928  -9.227
   65   1HE   MET   9          1HE       MET   9  -2.105  -2.021 -10.992
   66   2HE   MET   9          2HE       MET   9  -2.566  -0.849 -12.228
   67   3HE   MET   9          3HE       MET   9  -2.611  -2.575 -12.588
   68    H    ARG  10           H        ARG  10  -4.473  -3.528  -8.443
   69    HA   ARG  10           HA       ARG  10  -3.974  -3.233  -5.605
   70   1HB   ARG  10          1HB       ARG  10  -2.579  -5.271  -5.859
   71   2HB   ARG  10          2HB       ARG  10  -4.245  -5.507  -6.362
   72   1HG   ARG  10          1HG       ARG  10  -3.535  -5.258  -8.705
   73   2HG   ARG  10          2HG       ARG  10  -1.861  -5.115  -8.153
   74   1HD   ARG  10          1HD       ARG  10  -3.610  -7.458  -7.462
   75   2HD   ARG  10          2HD       ARG  10  -2.625  -7.414  -8.923
   76    HE   ARG  10           HE       ARG  10  -0.848  -6.867  -6.942
   77   1HH1  ARG  10          1HH1      ARG  10  -3.246  -9.377  -7.338
   78   2HH1  ARG  10          2HH1      ARG  10  -2.277 -10.615  -6.595
   79   1HH2  ARG  10          1HH2      ARG  10   0.459  -8.509  -5.940
   80   2HH2  ARG  10          2HH2      ARG  10  -0.159 -10.128  -5.837
   81    HA   PRO  11           HA       PRO  11  -0.251  -0.901  -6.099
   82   1HB   PRO  11          1HB       PRO  11   1.012  -1.676  -3.831
   83   2HB   PRO  11          2HB       PRO  11  -0.375  -0.576  -3.806
   84   1HG   PRO  11          1HG       PRO  11  -0.337  -3.557  -3.410
   85   2HG   PRO  11          2HG       PRO  11  -1.084  -2.327  -2.378
   86   1HD   PRO  11          1HD       PRO  11  -2.558  -3.667  -4.132
   87   2HD   PRO  11          2HD       PRO  11  -2.806  -1.918  -3.920
   88    H    GLN  12           H        GLN  12   1.857  -1.300  -6.847
   89    HA   GLN  12           HA       GLN  12   2.379  -4.112  -7.387
   90   1HB   GLN  12          1HB       GLN  12   1.701  -2.640  -9.279
   91   2HB   GLN  12          2HB       GLN  12   3.176  -1.706  -8.997
   92   1HG   GLN  12          1HG       GLN  12   3.545  -3.266 -10.754
   93   2HG   GLN  12          2HG       GLN  12   4.466  -3.752  -9.340
   94   1HE2  GLN  12          1HE2      GLN  12   3.511  -5.515  -7.952
   95   2HE2  GLN  12          2HE2      GLN  12   2.570  -6.725  -8.781
   96    H    ASP  13           H        ASP  13   4.688  -4.735  -7.610
   97    HA   ASP  13           HA       ASP  13   6.358  -4.055  -5.617
   98   1HB   ASP  13          1HB       ASP  13   6.956  -5.200  -8.349
   99   2HB   ASP  13          2HB       ASP  13   7.924  -5.389  -6.911
  100    H    GLY  14           H        GLY  14   8.632  -4.088  -7.416
  101   1HA   GLY  14          1HA       GLY  14   9.387  -2.056  -8.885
  102   2HA   GLY  14          2HA       GLY  14   9.134  -1.222  -7.365
  103    H    GLU  15           H        GLU  15  11.455  -2.007  -9.080
  104    HA   GLU  15           HA       GLU  15  13.150  -3.047  -6.922
  105   1HB   GLU  15          1HB       GLU  15  13.573  -3.268  -9.913
  106   2HB   GLU  15          2HB       GLU  15  14.767  -3.717  -8.706
  107   1HG   GLU  15          1HG       GLU  15  13.032  -5.343  -7.812
  108   2HG   GLU  15          2HG       GLU  15  12.133  -5.023  -9.295
  109    H    VAL  16           H        VAL  16  14.389  -1.481  -6.067
  110    HA   VAL  16           HA       VAL  16  15.183   0.715  -7.732
  111    HB   VAL  16           HB       VAL  16  14.487   2.295  -6.169
  112   1HG1  VAL  16          1HG1      VAL  16  12.709   1.597  -7.601
  113   2HG1  VAL  16          2HG1      VAL  16  12.064   2.008  -6.013
  114   3HG1  VAL  16          3HG1      VAL  16  12.269   0.316  -6.474
  115   1HG2  VAL  16          1HG2      VAL  16  13.807   0.053  -4.284
  116   2HG2  VAL  16          2HG2      VAL  16  13.397   1.744  -4.004
  117   3HG2  VAL  16          3HG2      VAL  16  15.089   1.250  -4.091
  118    H    THR  17           H        THR  17  16.770   1.922  -6.535
  119    HA   THR  17           HA       THR  17  18.688   0.087  -5.341
  120    HB   THR  17           HB       THR  17  19.422   2.889  -6.003
  121    HG1  THR  17           HG1      THR  17  18.385   1.055  -7.796
  122   1HG2  THR  17          1HG2      THR  17  21.073   1.321  -5.079
  123   2HG2  THR  17          2HG2      THR  17  21.510   1.849  -6.703
  124   3HG2  THR  17          3HG2      THR  17  20.814   0.248  -6.454
  125    H    VAL  18           H        VAL  18  19.851   0.761  -3.460
  126    HA   VAL  18           HA       VAL  18  18.374   1.933  -1.417
  127    HB   VAL  18           HB       VAL  18  21.351   1.742  -1.498
  128   1HG1  VAL  18          1HG1      VAL  18  19.454   1.871   0.827
  129   2HG1  VAL  18          2HG1      VAL  18  20.487   3.182   0.253
  130   3HG1  VAL  18          3HG1      VAL  18  21.208   1.724   0.937
  131   1HG2  VAL  18          1HG2      VAL  18  20.345  -0.462  -1.925
  132   2HG2  VAL  18          2HG2      VAL  18  19.415  -0.299  -0.431
  133   3HG2  VAL  18          3HG2      VAL  18  21.174  -0.400  -0.369
  134    H    GLY  19           H        GLY  19  17.763   3.759  -1.676
  135   1HA   GLY  19          1HA       GLY  19  18.159   6.006  -0.867
  136   2HA   GLY  19          2HA       GLY  19  19.713   5.956  -1.684
  137    H    GLY  20           H        GLY  20  17.063   4.699  -3.568
  138   1HA   GLY  20          1HA       GLY  20  16.965   7.230  -5.014
  139   2HA   GLY  20          2HA       GLY  20  16.405   5.681  -5.584
  140    H    SER  21           H        SER  21  14.471   5.664  -5.774
  141    HA   SER  21           HA       SER  21  12.724   6.227  -3.628
  142   1HB   SER  21          1HB       SER  21  11.202   7.382  -5.230
  143   2HB   SER  21          2HB       SER  21  12.585   8.288  -4.690
  144    HG   SER  21           HG       SER  21  11.890   7.967  -7.139
  145    H    ILE  22           H        ILE  22  10.648   5.493  -4.077
  146    HA   ILE  22           HA       ILE  22  10.135   3.690  -6.212
  147    HB   ILE  22           HB       ILE  22  11.057   2.267  -4.507
  148   1HG1  ILE  22          1HG1      ILE  22   9.196   0.682  -4.383
  149   2HG1  ILE  22          2HG1      ILE  22   8.098   1.957  -4.879
  150   1HG2  ILE  22          1HG2      ILE  22  10.360   3.678  -2.562
  151   2HG2  ILE  22          2HG2      ILE  22  10.086   1.951  -2.363
  152   3HG2  ILE  22          3HG2      ILE  22   8.740   3.012  -2.770
  153   1HD1  ILE  22          1HD1      ILE  22  10.317   0.744  -6.507
  154   2HD1  ILE  22          2HD1      ILE  22   9.332   2.113  -7.015
  155   3HD1  ILE  22          3HD1      ILE  22   8.583   0.539  -6.749
  156    H    THR  23           H        THR  23   8.042   3.432  -6.436
  157    HA   THR  23           HA       THR  23   6.232   5.080  -4.880
  158    HB   THR  23           HB       THR  23   6.212   5.325  -7.865
  159    HG1  THR  23           HG1      THR  23   8.111   6.294  -7.325
  160   1HG2  THR  23          1HG2      THR  23   4.112   5.881  -6.756
  161   2HG2  THR  23          2HG2      THR  23   4.872   7.344  -7.382
  162   3HG2  THR  23          3HG2      THR  23   4.961   6.973  -5.660
  163    H    PHE  24           H        PHE  24   4.521   4.036  -4.469
  164    HA   PHE  24           HA       PHE  24   3.499   2.100  -6.419
  165   1HB   PHE  24          1HB       PHE  24   2.903   1.851  -3.499
  166   2HB   PHE  24          2HB       PHE  24   2.783   0.657  -4.751
  167    HD1  PHE  24           HD1      PHE  24   5.139   0.101  -5.898
  168    HD2  PHE  24           HD2      PHE  24   4.561   1.603  -1.971
  169    HE1  PHE  24           HE1      PHE  24   7.286  -0.876  -5.218
  170    HE2  PHE  24           HE2      PHE  24   6.711   0.630  -1.278
  171    HZ   PHE  24           HZ       PHE  24   8.074  -0.618  -2.902
  172    H    SER  25           H        SER  25   1.348   2.134  -6.739
  173    HA   SER  25           HA       SER  25  -0.293   4.064  -5.328
  174   1HB   SER  25          1HB       SER  25  -0.904   3.330  -8.145
  175   2HB   SER  25          2HB       SER  25  -1.278   4.804  -7.273
  176    HG   SER  25           HG       SER  25   1.297   4.774  -7.329
  177    H    ALA  26           H        ALA  26  -2.017   3.237  -4.551
  178    HA   ALA  26           HA       ALA  26  -2.917   0.540  -5.291
  179   1HB   ALA  26          1HB       ALA  26  -1.466   0.914  -3.094
  180   2HB   ALA  26          2HB       ALA  26  -2.779  -0.251  -3.150
  181   3HB   ALA  26          3HB       ALA  26  -3.045   1.336  -2.434
  182    H    ARG  27           H        ARG  27  -5.085   0.394  -5.622
  183    HA   ARG  27           HA       ARG  27  -6.683   2.772  -4.903
  184   1HB   ARG  27          1HB       ARG  27  -6.904   0.994  -7.335
  185   2HB   ARG  27          2HB       ARG  27  -8.006   2.310  -6.951
  186   1HG   ARG  27          1HG       ARG  27  -6.278   3.931  -7.224
  187   2HG   ARG  27          2HG       ARG  27  -5.053   2.672  -7.370
  188   1HD   ARG  27          1HD       ARG  27  -6.088   1.889  -9.444
  189   2HD   ARG  27          2HD       ARG  27  -7.321   3.145  -9.303
  190    HE   ARG  27           HE       ARG  27  -5.119   4.626  -9.293
  191   1HH1  ARG  27          1HH1      ARG  27  -6.067   1.980 -11.392
  192   2HH1  ARG  27          2HH1      ARG  27  -5.063   2.514 -12.709
  193   1HH2  ARG  27          1HH2      ARG  27  -3.841   5.341 -11.046
  194   2HH2  ARG  27          2HH2      ARG  27  -3.821   4.409 -12.521
  195    H    VAL  28           H        VAL  28  -8.356   2.413  -3.573
  196    HA   VAL  28           HA       VAL  28  -9.563  -0.241  -3.542
  197    HB   VAL  28           HB       VAL  28  -9.488   1.595  -1.161
  198   1HG1  VAL  28          1HG1      VAL  28 -10.196  -0.359   0.075
  199   2HG1  VAL  28          2HG1      VAL  28 -10.054  -1.362  -1.368
  200   3HG1  VAL  28          3HG1      VAL  28 -11.295  -0.110  -1.290
  201   1HG2  VAL  28          1HG2      VAL  28  -7.627  -0.693  -1.791
  202   2HG2  VAL  28          2HG2      VAL  28  -7.705   0.169  -0.258
  203   3HG2  VAL  28          3HG2      VAL  28  -7.200   1.016  -1.719
  204    H    ALA  29           H        ALA  29 -11.533  -0.257  -3.980
  205    HA   ALA  29           HA       ALA  29 -13.136   1.861  -4.740
  206   1HB   ALA  29          1HB       ALA  29 -14.998   0.309  -4.708
  207   2HB   ALA  29          2HB       ALA  29 -14.062  -0.826  -3.734
  208   3HB   ALA  29          3HB       ALA  29 -13.571  -0.476  -5.391
  209    H    GLY  30           H        GLY  30 -13.504   3.465  -3.444
  210   1HA   GLY  30          1HA       GLY  30 -13.948   3.488  -0.698
  211   2HA   GLY  30          2HA       GLY  30 -14.605   4.673  -1.828
  212    H    ALA  31           H        ALA  31 -16.162   3.031  -3.359
  213    HA   ALA  31           HA       ALA  31 -18.243   2.167  -3.559
  214   1HB   ALA  31          1HB       ALA  31 -17.280   0.476  -1.268
  215   2HB   ALA  31          2HB       ALA  31 -16.801   0.271  -2.954
  216   3HB   ALA  31          3HB       ALA  31 -18.484   0.029  -2.487
  217    H    SER  32           H        SER  32 -20.018   0.984  -1.954
  218    HA   SER  32           HA       SER  32 -20.732   2.952   0.102
  219   1HB   SER  32          1HB       SER  32 -23.053   2.001  -0.154
  220   2HB   SER  32          2HB       SER  32 -22.449   2.805  -1.603
  221    HG   SER  32           HG       SER  32 -22.238   0.005  -1.191
  222    H    LEU  33           H        LEU  33 -20.614   2.226   2.178
  223    HA   LEU  33           HA       LEU  33 -20.770  -0.538   2.799
  224   1HB   LEU  33          1HB       LEU  33 -18.515  -0.673   3.771
  225   2HB   LEU  33          2HB       LEU  33 -18.555  -0.641   2.037
  226    HG   LEU  33           HG       LEU  33 -17.005   0.915   3.854
  227   1HD1  LEU  33          1HD1      LEU  33 -17.203   0.881   0.848
  228   2HD1  LEU  33          2HD1      LEU  33 -16.215  -0.183   1.844
  229   3HD1  LEU  33          3HD1      LEU  33 -15.860   1.543   1.780
  230   1HD2  LEU  33          1HD2      LEU  33 -18.496   2.692   1.943
  231   2HD2  LEU  33          2HD2      LEU  33 -17.283   3.146   3.136
  232   3HD2  LEU  33          3HD2      LEU  33 -18.872   2.587   3.662
  233    H    LEU  34           H        LEU  34 -20.008  -0.855   5.202
  234    HA   LEU  34           HA       LEU  34 -21.801   0.665   6.762
  235   1HB   LEU  34          1HB       LEU  34 -20.849  -1.698   7.171
  236   2HB   LEU  34          2HB       LEU  34 -19.477  -0.874   7.890
  237    HG   LEU  34           HG       LEU  34 -21.084   0.260   9.449
  238   1HD1  LEU  34          1HD1      LEU  34 -23.007  -1.766   8.320
  239   2HD1  LEU  34          2HD1      LEU  34 -23.102  -0.014   8.126
  240   3HD1  LEU  34          3HD1      LEU  34 -23.294  -0.735   9.723
  241   1HD2  LEU  34          1HD2      LEU  34 -19.744  -1.644  10.151
  242   2HD2  LEU  34          2HD2      LEU  34 -20.969  -2.751   9.530
  243   3HD2  LEU  34          3HD2      LEU  34 -21.341  -1.699  10.897
  244    H    LYS  35           H        LYS  35 -18.271   0.626   6.633
  245    HA   LYS  35           HA       LYS  35 -18.257   3.482   6.869
  246   1HB   LYS  35          1HB       LYS  35 -16.414   3.379   8.640
  247   2HB   LYS  35          2HB       LYS  35 -18.063   3.134   9.182
  248   1HG   LYS  35          1HG       LYS  35 -16.771   1.569  10.346
  249   2HG   LYS  35          2HG       LYS  35 -17.580   0.649   9.081
  250   1HD   LYS  35          1HD       LYS  35 -15.631   0.339   7.878
  251   2HD   LYS  35          2HD       LYS  35 -14.846   1.748   8.593
  252   1HE   LYS  35          1HE       LYS  35 -13.925  -0.424   9.375
  253   2HE   LYS  35          2HE       LYS  35 -14.527   0.603  10.671
  254   1HZ   LYS  35          1HZ       LYS  35 -15.181  -1.711  10.958
  255   2HZ   LYS  35          2HZ       LYS  35 -15.996  -1.687   9.472
  256   3HZ   LYS  35          3HZ       LYS  35 -16.542  -0.716  10.753
  257    HA   PRO  36           HA       PRO  36 -15.100   3.475   3.852
  258   1HB   PRO  36          1HB       PRO  36 -13.066   4.790   5.347
  259   2HB   PRO  36          2HB       PRO  36 -14.201   5.523   4.214
  260   1HG   PRO  36          1HG       PRO  36 -14.323   5.355   7.170
  261   2HG   PRO  36          2HG       PRO  36 -14.944   6.611   6.085
  262   1HD   PRO  36          1HD       PRO  36 -16.596   4.893   7.278
  263   2HD   PRO  36          2HD       PRO  36 -16.874   5.405   5.597
  264    HA   PRO  37           HA       PRO  37 -12.929  -0.349   4.484
  265   1HB   PRO  37          1HB       PRO  37 -11.060   1.191   2.752
  266   2HB   PRO  37          2HB       PRO  37 -11.482  -0.517   2.677
  267   1HG   PRO  37          1HG       PRO  37 -12.740   1.092   1.010
  268   2HG   PRO  37          2HG       PRO  37 -13.715  -0.031   1.963
  269   1HD   PRO  37          1HD       PRO  37 -13.290   2.904   2.367
  270   2HD   PRO  37          2HD       PRO  37 -14.770   1.935   2.567
  271    H    VAL  38           H        VAL  38 -11.523  -1.080   5.799
  272    HA   VAL  38           HA       VAL  38  -9.374   0.635   6.770
  273    HB   VAL  38           HB       VAL  38  -9.901  -2.156   7.689
  274   1HG1  VAL  38          1HG1      VAL  38  -8.496   0.185   8.940
  275   2HG1  VAL  38          2HG1      VAL  38  -7.761  -1.282   8.294
  276   3HG1  VAL  38          3HG1      VAL  38  -8.763  -1.363   9.743
  277   1HG2  VAL  38          1HG2      VAL  38 -11.180  -1.263   9.596
  278   2HG2  VAL  38          2HG2      VAL  38 -11.987  -0.975   8.054
  279   3HG2  VAL  38          3HG2      VAL  38 -11.124   0.337   8.856
  280    H    VAL  39           H        VAL  39  -8.151   0.567   5.090
  281    HA   VAL  39           HA       VAL  39  -7.044  -1.936   4.171
  282    HB   VAL  39           HB       VAL  39  -6.127   0.720   3.195
  283   1HG1  VAL  39          1HG1      VAL  39  -5.769  -0.509   1.095
  284   2HG1  VAL  39          2HG1      VAL  39  -6.383  -1.967   1.877
  285   3HG1  VAL  39          3HG1      VAL  39  -4.901  -1.208   2.464
  286   1HG2  VAL  39          1HG2      VAL  39  -7.847   0.916   1.561
  287   2HG2  VAL  39          2HG2      VAL  39  -8.626   0.743   3.133
  288   3HG2  VAL  39          3HG2      VAL  39  -8.548  -0.632   2.032
  289    H    LYS  40           H        LYS  40  -5.497  -2.527   5.341
  290    HA   LYS  40           HA       LYS  40  -3.659  -0.660   6.516
  291   1HB   LYS  40          1HB       LYS  40  -2.915  -2.611   7.874
  292   2HB   LYS  40          2HB       LYS  40  -4.550  -2.089   8.182
  293   1HG   LYS  40          1HG       LYS  40  -4.898  -4.330   8.082
  294   2HG   LYS  40          2HG       LYS  40  -5.064  -3.943   6.368
  295   1HD   LYS  40          1HD       LYS  40  -3.597  -5.719   6.265
  296   2HD   LYS  40          2HD       LYS  40  -2.464  -4.367   6.340
  297   1HE   LYS  40          1HE       LYS  40  -1.741  -6.076   7.867
  298   2HE   LYS  40          2HE       LYS  40  -2.327  -4.695   8.795
  299   1HZ   LYS  40          1HZ       LYS  40  -4.270  -5.815   9.374
  300   2HZ   LYS  40          2HZ       LYS  40  -3.070  -7.007   9.516
  301   3HZ   LYS  40          3HZ       LYS  40  -4.089  -6.987   8.156
  302    H    TRP  41           H        TRP  41  -1.916  -0.431   5.770
  303    HA   TRP  41           HA       TRP  41  -0.739  -2.206   3.819
  304   1HB   TRP  41          1HB       TRP  41   0.061   0.473   4.929
  305   2HB   TRP  41          2HB       TRP  41   1.054  -0.440   3.798
  306    HD1  TRP  41           HD1      TRP  41  -2.375   1.321   3.984
  307    HE1  TRP  41           HE1      TRP  41  -2.960   2.051   1.553
  308    HE3  TRP  41           HE3      TRP  41   1.367  -1.051   1.467
  309    HZ2  TRP  41           HZ2      TRP  41  -2.021   1.580  -1.031
  310    HZ3  TRP  41           HZ3      TRP  41   1.456  -0.879  -0.984
  311    HH2  TRP  41           HH2      TRP  41  -0.231   0.392  -2.207
  312    H    PHE  42           H        PHE  42   1.357  -2.885   3.993
  313    HA   PHE  42           HA       PHE  42   2.572  -3.148   6.653
  314   1HB   PHE  42          1HB       PHE  42   1.123  -5.192   5.897
  315   2HB   PHE  42          2HB       PHE  42   2.365  -5.412   4.679
  316    HD1  PHE  42           HD1      PHE  42   4.571  -6.215   5.259
  317    HD2  PHE  42           HD2      PHE  42   1.539  -5.695   8.208
  318    HE1  PHE  42           HE1      PHE  42   5.850  -7.630   6.815
  319    HE2  PHE  42           HE2      PHE  42   2.819  -7.102   9.768
  320    HZ   PHE  42           HZ       PHE  42   4.969  -8.074   9.070
  321    H    LYS  43           H        LYS  43   4.758  -2.684   6.374
  322    HA   LYS  43           HA       LYS  43   5.509  -2.376   3.551
  323   1HB   LYS  43          1HB       LYS  43   5.774  -0.276   4.524
  324   2HB   LYS  43          2HB       LYS  43   6.453  -0.917   6.016
  325   1HG   LYS  43          1HG       LYS  43   8.503  -1.437   4.926
  326   2HG   LYS  43          2HG       LYS  43   7.811  -1.083   3.341
  327   1HD   LYS  43          1HD       LYS  43   9.159   0.758   4.001
  328   2HD   LYS  43          2HD       LYS  43   7.465   1.240   4.079
  329   1HE   LYS  43          1HE       LYS  43   7.445   1.022   6.458
  330   2HE   LYS  43          2HE       LYS  43   9.063   0.320   6.455
  331   1HZ   LYS  43          1HZ       LYS  43   9.095   2.658   7.088
  332   2HZ   LYS  43          2HZ       LYS  43   8.391   3.085   5.608
  333   3HZ   LYS  43          3HZ       LYS  43   9.938   2.405   5.645
  334    H    GLY  44           H        GLY  44   6.648  -4.195   2.989
  335   1HA   GLY  44          1HA       GLY  44   7.334  -5.709   5.354
  336   2HA   GLY  44          2HA       GLY  44   7.058  -6.399   3.772
  337    H    LYS  45           H        LYS  45   9.276  -4.748   5.849
  338    HA   LYS  45           HA       LYS  45  11.107  -6.870   5.048
  339   1HB   LYS  45          1HB       LYS  45  12.239  -5.931   7.290
  340   2HB   LYS  45          2HB       LYS  45  12.516  -5.128   5.764
  341   1HG   LYS  45          1HG       LYS  45  10.551  -3.625   6.388
  342   2HG   LYS  45          2HG       LYS  45  10.737  -4.283   8.018
  343   1HD   LYS  45          1HD       LYS  45  12.759  -2.737   6.397
  344   2HD   LYS  45          2HD       LYS  45  11.945  -2.216   7.868
  345   1HE   LYS  45          1HE       LYS  45  13.102  -3.957   9.123
  346   2HE   LYS  45          2HE       LYS  45  13.912  -4.488   7.653
  347   1HZ   LYS  45          1HZ       LYS  45  15.346  -3.073   8.976
  348   2HZ   LYS  45          2HZ       LYS  45  14.201  -1.821   8.931
  349   3HZ   LYS  45          3HZ       LYS  45  14.969  -2.319   7.510
  350    H    TRP  46           H        TRP  46   9.201  -5.573   7.642
  351    HA   TRP  46           HA       TRP  46   7.736  -7.976   8.220
  352   1HB   TRP  46          1HB       TRP  46   8.453  -7.729  10.662
  353   2HB   TRP  46          2HB       TRP  46   9.571  -8.549   9.577
  354    HD1  TRP  46           HD1      TRP  46  11.658  -7.032   8.702
  355    HE1  TRP  46           HE1      TRP  46  12.858  -5.036   9.736
  356    HE3  TRP  46           HE3      TRP  46   8.253  -5.882  12.332
  357    HZ2  TRP  46           HZ2      TRP  46  12.446  -3.218  11.882
  358    HZ3  TRP  46           HZ3      TRP  46   8.739  -4.002  13.844
  359    HH2  TRP  46           HH2      TRP  46  10.790  -2.699  13.623
  360    H    VAL  47           H        VAL  47   7.668  -4.852   7.826
  361    HA   VAL  47           HA       VAL  47   6.832  -3.885  10.351
  362    HB   VAL  47           HB       VAL  47   8.795  -3.134   8.555
  363   1HG1  VAL  47          1HG1      VAL  47   6.714  -1.007   8.646
  364   2HG1  VAL  47          2HG1      VAL  47   7.219  -1.920   7.225
  365   3HG1  VAL  47          3HG1      VAL  47   8.359  -0.839   8.027
  366   1HG2  VAL  47          1HG2      VAL  47   8.878  -2.971  10.952
  367   2HG2  VAL  47          2HG2      VAL  47   7.701  -1.659  10.917
  368   3HG2  VAL  47          3HG2      VAL  47   9.298  -1.430  10.204
  369    H    ASP  48           H        ASP  48   5.550  -2.003  10.197
  370    HA   ASP  48           HA       ASP  48   3.196  -2.206   8.508
  371   1HB   ASP  48          1HB       ASP  48   2.495  -2.343  10.760
  372   2HB   ASP  48          2HB       ASP  48   3.779  -1.264  11.294
  373    H    LEU  49           H        LEU  49   2.471  -0.159   7.661
  374    HA   LEU  49           HA       LEU  49   4.608   1.735   7.226
  375   1HB   LEU  49          1HB       LEU  49   1.966   1.241   5.954
  376   2HB   LEU  49          2HB       LEU  49   2.659   2.846   5.860
  377    HG   LEU  49           HG       LEU  49   4.753   1.443   4.963
  378   1HD1  LEU  49          1HD1      LEU  49   3.351  -0.671   5.115
  379   2HD1  LEU  49          2HD1      LEU  49   4.135  -0.305   3.580
  380   3HD1  LEU  49          3HD1      LEU  49   2.410   0.009   3.775
  381   1HD2  LEU  49          1HD2      LEU  49   3.968   2.017   2.753
  382   2HD2  LEU  49          2HD2      LEU  49   3.670   3.320   3.905
  383   3HD2  LEU  49          3HD2      LEU  49   2.345   2.262   3.396
  384    H    SER  50           H        SER  50   1.745   1.569   9.148
  385    HA   SER  50           HA       SER  50   0.854   4.173   8.943
  386   1HB   SER  50          1HB       SER  50   0.565   2.414  11.374
  387   2HB   SER  50          2HB       SER  50  -0.568   3.589  10.730
  388    HG   SER  50           HG       SER  50   0.023   0.994   9.819
  389    H    SER  51           H        SER  51   3.493   2.733  10.538
  390    HA   SER  51           HA       SER  51   3.713   4.896  12.370
  391   1HB   SER  51          1HB       SER  51   4.018   2.500  13.050
  392   2HB   SER  51          2HB       SER  51   5.531   2.533  12.165
  393    HG   SER  51           HG       SER  51   5.155   4.590  14.001
  394    H    LYS  52           H        LYS  52   4.950   3.876   9.462
  395    HA   LYS  52           HA       LYS  52   7.446   5.372   9.696
  396   1HB   LYS  52          1HB       LYS  52   7.084   3.728   7.336
  397   2HB   LYS  52          2HB       LYS  52   8.401   3.756   8.488
  398   1HG   LYS  52          1HG       LYS  52   5.826   2.263   8.749
  399   2HG   LYS  52          2HG       LYS  52   7.393   1.579   8.349
  400   1HD   LYS  52          1HD       LYS  52   6.757   2.954  10.957
  401   2HD   LYS  52          2HD       LYS  52   6.672   1.205  10.706
  402   1HE   LYS  52          1HE       LYS  52   9.051   1.161  10.187
  403   2HE   LYS  52          2HE       LYS  52   9.142   2.915  10.359
  404   1HZ   LYS  52          1HZ       LYS  52   9.898   1.634  12.335
  405   2HZ   LYS  52          2HZ       LYS  52   8.303   1.098  12.559
  406   3HZ   LYS  52          3HZ       LYS  52   8.666   2.752  12.664
  407    H    VAL  53           H        VAL  53   4.483   5.357   8.218
  408    HA   VAL  53           HA       VAL  53   4.802   6.646   5.830
  409    HB   VAL  53           HB       VAL  53   2.523   6.516   7.795
  410   1HG1  VAL  53          1HG1      VAL  53   2.031   8.519   6.603
  411   2HG1  VAL  53          2HG1      VAL  53   1.101   7.235   5.813
  412   3HG1  VAL  53          3HG1      VAL  53   2.594   7.825   5.080
  413   1HG2  VAL  53          1HG2      VAL  53   3.043   5.206   5.149
  414   2HG2  VAL  53          2HG2      VAL  53   1.585   5.008   6.121
  415   3HG2  VAL  53          3HG2      VAL  53   3.142   4.452   6.738
  416    H    GLY  54           H        GLY  54   6.256   8.097   6.007
  417   1HA   GLY  54          1HA       GLY  54   5.420  10.707   7.053
  418   2HA   GLY  54          2HA       GLY  54   6.937  10.069   7.670
  419    H    GLN  55           H        GLN  55   8.390  11.434   6.796
  420    HA   GLN  55           HA       GLN  55   7.975  12.746   4.331
  421   1HB   GLN  55          1HB       GLN  55  10.476  12.542   5.995
  422   2HB   GLN  55          2HB       GLN  55  10.232  13.662   4.665
  423   1HG   GLN  55          1HG       GLN  55   8.331  14.642   5.905
  424   2HG   GLN  55          2HG       GLN  55   8.719  13.584   7.262
  425   1HE2  GLN  55          1HE2      GLN  55  10.645  13.945   8.423
  426   2HE2  GLN  55          2HE2      GLN  55  11.481  15.454   8.337
  427    H    HIS  56           H        HIS  56   9.532   9.724   5.060
  428    HA   HIS  56           HA       HIS  56  10.821   9.776   2.421
  429   1HB   HIS  56          1HB       HIS  56  12.325   8.168   3.141
  430   2HB   HIS  56          2HB       HIS  56  12.062   9.106   4.596
  431    HD1  HIS  56           HD1      HIS  56   9.863   7.871   6.054
  432    HD2  HIS  56           HD2      HIS  56  12.472   5.591   3.759
  433    HE1  HIS  56           HE1      HIS  56   9.540   5.496   6.822
  434    HE2  HIS  56           HE2      HIS  56  11.491   4.286   5.747
  435    H    LEU  57           H        LEU  57   8.567   7.925   4.301
  436    HA   LEU  57           HA       LEU  57   7.518   6.718   1.831
  437   1HB   LEU  57          1HB       LEU  57   8.375   4.996   3.276
  438   2HB   LEU  57          2HB       LEU  57   7.675   5.678   4.695
  439    HG   LEU  57           HG       LEU  57   6.122   4.099   4.530
  440   1HD1  LEU  57          1HD1      LEU  57   5.369   5.427   1.961
  441   2HD1  LEU  57          2HD1      LEU  57   4.583   5.539   3.537
  442   3HD1  LEU  57          3HD1      LEU  57   4.503   4.039   2.615
  443   1HD2  LEU  57          1HD2      LEU  57   6.118   2.516   2.600
  444   2HD2  LEU  57          2HD2      LEU  57   7.574   2.640   3.584
  445   3HD2  LEU  57          3HD2      LEU  57   7.507   3.428   2.012
  446    H    GLN  58           H        GLN  58   6.028   8.391   1.478
  447    HA   GLN  58           HA       GLN  58   4.079   8.876   3.524
  448   1HB   GLN  58          1HB       GLN  58   4.102   9.780   0.635
  449   2HB   GLN  58          2HB       GLN  58   3.051  10.372   1.910
  450   1HG   GLN  58          1HG       GLN  58   4.559  12.039   1.801
  451   2HG   GLN  58          2HG       GLN  58   5.315  11.056   3.030
  452   1HE2  GLN  58          1HE2      GLN  58   7.217  10.020   2.557
  453   2HE2  GLN  58          2HE2      GLN  58   8.143  10.347   1.135
  454    H    LEU  59           H        LEU  59   2.779   7.312   3.755
  455    HA   LEU  59           HA       LEU  59   1.594   5.973   1.459
  456   1HB   LEU  59          1HB       LEU  59   2.334   4.706   3.616
  457   2HB   LEU  59          2HB       LEU  59   0.993   5.485   4.406
  458    HG   LEU  59           HG       LEU  59   0.956   3.302   2.351
  459   1HD1  LEU  59          1HD1      LEU  59   1.054   2.473   4.476
  460   2HD1  LEU  59          2HD1      LEU  59  -0.696   2.554   4.196
  461   3HD1  LEU  59          3HD1      LEU  59   0.104   3.811   5.154
  462   1HD2  LEU  59          1HD2      LEU  59  -1.372   5.065   3.101
  463   2HD2  LEU  59          2HD2      LEU  59  -1.461   3.558   2.185
  464   3HD2  LEU  59          3HD2      LEU  59  -0.609   4.954   1.509
  465    H    HIS  60           H        HIS  60   0.511   7.652   0.641
  466    HA   HIS  60           HA       HIS  60  -1.195   9.278   2.245
  467   1HB   HIS  60          1HB       HIS  60  -0.296   9.404  -0.604
  468   2HB   HIS  60          2HB       HIS  60  -1.669  10.327  -0.062
  469    HD1  HIS  60           HD1      HIS  60   0.427  12.058  -1.064
  470    HD2  HIS  60           HD2      HIS  60   0.518  10.617   2.841
  471    HE1  HIS  60           HE1      HIS  60   1.895  13.652   0.213
  472    HE2  HIS  60           HE2      HIS  60   1.855  12.823   2.598
  473    H    ASP  61           H        ASP  61  -3.192   9.712   1.449
  474    HA   ASP  61           HA       ASP  61  -4.623   7.548   0.224
  475   1HB   ASP  61          1HB       ASP  61  -6.450   7.945   1.853
  476   2HB   ASP  61          2HB       ASP  61  -5.067   7.094   2.475
  477    H    SER  62           H        SER  62  -5.346   8.337  -1.411
  478    HA   SER  62           HA       SER  62  -6.360  11.054  -1.567
  479   1HB   SER  62          1HB       SER  62  -6.166   9.077  -3.817
  480   2HB   SER  62          2HB       SER  62  -6.419  10.814  -3.936
  481    HG   SER  62           HG       SER  62  -4.078   9.387  -3.351
  482    H    TYR  63           H        TYR  63  -8.326  11.371  -1.074
  483    HA   TYR  63           HA       TYR  63 -10.196   9.180  -1.328
  484   1HB   TYR  63          1HB       TYR  63 -10.211   9.757   0.870
  485   2HB   TYR  63          2HB       TYR  63 -10.038  11.480   0.565
  486    HD1  TYR  63           HD1      TYR  63 -11.874  12.775   1.035
  487    HD2  TYR  63           HD2      TYR  63 -12.494   8.741  -0.143
  488    HE1  TYR  63           HE1      TYR  63 -14.293  13.063   1.344
  489    HE2  TYR  63           HE2      TYR  63 -14.916   9.018   0.159
  490    HH   TYR  63           HH       TYR  63 -16.363  12.094   0.623
  491    H    ASP  64           H        ASP  64 -10.871   9.284  -3.276
  492    HA   ASP  64           HA       ASP  64 -12.172  11.748  -4.162
  493   1HB   ASP  64          1HB       ASP  64 -10.890   9.477  -5.576
  494   2HB   ASP  64          2HB       ASP  64 -12.000  10.526  -6.389
  495    H    ARG  65           H        ARG  65 -14.187  11.559  -3.621
  496    HA   ARG  65           HA       ARG  65 -15.579   9.063  -3.552
  497   1HB   ARG  65          1HB       ARG  65 -15.888  11.518  -2.291
  498   2HB   ARG  65          2HB       ARG  65 -17.270  11.410  -3.383
  499   1HG   ARG  65          1HG       ARG  65 -16.437   9.342  -1.391
  500   2HG   ARG  65          2HG       ARG  65 -17.779  10.477  -1.204
  501   1HD   ARG  65          1HD       ARG  65 -17.740   8.884  -3.685
  502   2HD   ARG  65          2HD       ARG  65 -18.061   7.973  -2.201
  503    HE   ARG  65           HE       ARG  65 -19.885   9.726  -1.846
  504   1HH1  ARG  65          1HH1      ARG  65 -18.799   8.801  -5.050
  505   2HH1  ARG  65          2HH1      ARG  65 -20.360   9.030  -5.783
  506   1HH2  ARG  65          1HH2      ARG  65 -21.928  10.013  -2.789
  507   2HH2  ARG  65          2HH2      ARG  65 -22.147   9.706  -4.483
  508    H    ALA  66           H        ALA  66 -15.372  11.822  -5.621
  509    HA   ALA  66           HA       ALA  66 -17.539  11.261  -7.323
  510   1HB   ALA  66          1HB       ALA  66 -15.001  12.760  -7.971
  511   2HB   ALA  66          2HB       ALA  66 -16.444  13.457  -7.237
  512   3HB   ALA  66          3HB       ALA  66 -16.512  12.828  -8.884
  513    H    SER  67           H        SER  67 -14.429   9.909  -7.007
  514    HA   SER  67           HA       SER  67 -14.826   8.327  -9.445
  515   1HB   SER  67          1HB       SER  67 -12.317   8.680  -7.788
  516   2HB   SER  67          2HB       SER  67 -12.444   7.778  -9.298
  517    HG   SER  67           HG       SER  67 -12.656  10.575  -8.875
  518    H    LYS  68           H        LYS  68 -14.853   8.381  -6.067
  519    HA   LYS  68           HA       LYS  68 -15.397   6.878  -4.459
  520   1HB   LYS  68          1HB       LYS  68 -17.181   6.392  -6.155
  521   2HB   LYS  68          2HB       LYS  68 -16.159   5.101  -6.761
  522   1HG   LYS  68          1HG       LYS  68 -17.790   4.121  -5.377
  523   2HG   LYS  68          2HG       LYS  68 -16.264   4.062  -4.504
  524   1HD   LYS  68          1HD       LYS  68 -18.262   6.268  -4.051
  525   2HD   LYS  68          2HD       LYS  68 -18.382   4.719  -3.208
  526   1HE   LYS  68          1HE       LYS  68 -15.856   5.225  -2.627
  527   2HE   LYS  68          2HE       LYS  68 -16.343   6.891  -2.943
  528   1HZ   LYS  68          1HZ       LYS  68 -17.717   5.084  -1.013
  529   2HZ   LYS  68          2HZ       LYS  68 -17.998   6.744  -1.220
  530   3HZ   LYS  68          3HZ       LYS  68 -16.525   6.205  -0.577
  531    H    VAL  69           H        VAL  69 -12.768   7.029  -5.412
  532    HA   VAL  69           HA       VAL  69 -11.802   4.339  -4.798
  533    HB   VAL  69           HB       VAL  69 -10.249   6.195  -6.565
  534   1HG1  VAL  69          1HG1      VAL  69 -10.148   3.227  -6.106
  535   2HG1  VAL  69          2HG1      VAL  69  -9.009   4.437  -5.509
  536   3HG1  VAL  69          3HG1      VAL  69  -9.127   4.115  -7.239
  537   1HG2  VAL  69          1HG2      VAL  69 -11.000   4.922  -8.541
  538   2HG2  VAL  69          2HG2      VAL  69 -12.318   5.819  -7.787
  539   3HG2  VAL  69          3HG2      VAL  69 -12.178   4.080  -7.532
  540    H    TYR  70           H        TYR  70 -10.529   4.369  -3.147
  541    HA   TYR  70           HA       TYR  70  -9.282   6.863  -2.308
  542   1HB   TYR  70          1HB       TYR  70  -9.283   4.293  -0.756
  543   2HB   TYR  70          2HB       TYR  70  -8.899   5.894  -0.172
  544    HD1  TYR  70           HD1      TYR  70 -10.807   4.171   1.265
  545    HD2  TYR  70           HD2      TYR  70 -11.464   6.937  -1.895
  546    HE1  TYR  70           HE1      TYR  70 -13.115   4.474   2.028
  547    HE2  TYR  70           HE2      TYR  70 -13.787   7.252  -1.138
  548    HH   TYR  70           HH       TYR  70 -15.503   5.832   0.210
  549    H    LEU  71           H        LEU  71  -7.492   7.100  -3.205
  550    HA   LEU  71           HA       LEU  71  -5.920   4.810  -4.045
  551   1HB   LEU  71          1HB       LEU  71  -6.281   6.303  -5.873
  552   2HB   LEU  71          2HB       LEU  71  -5.861   7.703  -4.903
  553    HG   LEU  71           HG       LEU  71  -3.531   7.000  -4.832
  554   1HD1  LEU  71          1HD1      LEU  71  -3.759   4.617  -4.832
  555   2HD1  LEU  71          2HD1      LEU  71  -2.773   5.090  -6.216
  556   3HD1  LEU  71          3HD1      LEU  71  -4.464   4.633  -6.450
  557   1HD2  LEU  71          1HD2      LEU  71  -4.649   6.982  -7.629
  558   2HD2  LEU  71          2HD2      LEU  71  -2.971   7.292  -7.192
  559   3HD2  LEU  71          3HD2      LEU  71  -4.236   8.407  -6.676
  560    H    PHE  72           H        PHE  72  -4.808   4.221  -2.444
  561    HA   PHE  72           HA       PHE  72  -3.400   6.040  -0.754
  562   1HB   PHE  72          1HB       PHE  72  -3.410   3.058  -0.971
  563   2HB   PHE  72          2HB       PHE  72  -2.491   3.930   0.236
  564    HD1  PHE  72           HD1      PHE  72  -5.802   2.850  -0.851
  565    HD2  PHE  72           HD2      PHE  72  -3.617   5.000   2.091
  566    HE1  PHE  72           HE1      PHE  72  -7.774   2.834   0.624
  567    HE2  PHE  72           HE2      PHE  72  -5.573   4.988   3.572
  568    HZ   PHE  72           HZ       PHE  72  -7.670   3.886   2.825
  569    H    GLU  73           H        GLU  73  -1.713   6.870  -1.369
  570    HA   GLU  73           HA       GLU  73  -0.146   5.791  -3.591
  571   1HB   GLU  73          1HB       GLU  73   0.204   8.600  -2.699
  572   2HB   GLU  73          2HB       GLU  73   0.402   7.905  -4.293
  573   1HG   GLU  73          1HG       GLU  73  -1.965   7.871  -4.642
  574   2HG   GLU  73          2HG       GLU  73  -2.266   8.390  -2.980
  575    H    LEU  74           H        LEU  74   1.617   4.980  -3.003
  576    HA   LEU  74           HA       LEU  74   2.957   5.753  -0.578
  577   1HB   LEU  74          1HB       LEU  74   3.603   3.724  -2.687
  578   2HB   LEU  74          2HB       LEU  74   4.687   4.076  -1.363
  579    HG   LEU  74           HG       LEU  74   3.379   2.036  -0.964
  580   1HD1  LEU  74          1HD1      LEU  74   2.610   4.313   0.852
  581   2HD1  LEU  74          2HD1      LEU  74   4.145   3.448   0.905
  582   3HD1  LEU  74          3HD1      LEU  74   2.640   2.603   1.276
  583   1HD2  LEU  74          1HD2      LEU  74   0.977   2.175  -0.545
  584   2HD2  LEU  74          2HD2      LEU  74   1.371   2.606  -2.209
  585   3HD2  LEU  74          3HD2      LEU  74   0.988   3.869  -1.038
  586    H    HIS  75           H        HIS  75   4.317   7.219  -0.611
  587    HA   HIS  75           HA       HIS  75   5.860   7.696  -3.065
  588   1HB   HIS  75          1HB       HIS  75   4.799   9.723  -1.096
  589   2HB   HIS  75          2HB       HIS  75   6.241  10.053  -2.052
  590    HD1  HIS  75           HD1      HIS  75   2.545   9.904  -2.281
  591    HD2  HIS  75           HD2      HIS  75   5.791  10.269  -4.846
  592    HE1  HIS  75           HE1      HIS  75   1.584  10.649  -4.485
  593    HE2  HIS  75           HE2      HIS  75   3.552  10.676  -6.063
  594    H    ILE  76           H        ILE  76   7.400   6.378  -2.563
  595    HA   ILE  76           HA       ILE  76   8.590   6.714   0.099
  596    HB   ILE  76           HB       ILE  76   8.456   4.247  -1.558
  597   1HG1  ILE  76          1HG1      ILE  76   6.868   4.864   0.933
  598   2HG1  ILE  76          2HG1      ILE  76   6.248   5.082  -0.713
  599   1HG2  ILE  76          1HG2      ILE  76   9.187   3.105   0.509
  600   2HG2  ILE  76          2HG2      ILE  76   9.348   4.680   1.285
  601   3HG2  ILE  76          3HG2      ILE  76  10.388   4.261  -0.078
  602   1HD1  ILE  76          1HD1      ILE  76   5.522   2.969   0.244
  603   2HD1  ILE  76          2HD1      ILE  76   7.204   2.468   0.411
  604   3HD1  ILE  76          3HD1      ILE  76   6.517   2.736  -1.191
  605    H    THR  77           H        THR  77  10.223   7.841  -0.296
  606    HA   THR  77           HA       THR  77  12.062   7.106  -2.375
  607    HB   THR  77           HB       THR  77  12.931   9.340  -2.304
  608    HG1  THR  77           HG1      THR  77  11.830   9.423   0.096
  609   1HG2  THR  77          1HG2      THR  77   9.932   9.483  -2.372
  610   2HG2  THR  77          2HG2      THR  77  10.911   8.773  -3.659
  611   3HG2  THR  77          3HG2      THR  77  11.072  10.492  -3.264
  612    H    ASP  78           H        ASP  78  13.844   6.582  -1.872
  613    HA   ASP  78           HA       ASP  78  15.720   5.933  -0.766
  614   1HB   ASP  78          1HB       ASP  78  16.027   7.990   0.185
  615   2HB   ASP  78          2HB       ASP  78  14.648   7.821   1.251
  616    H    ALA  79           H        ALA  79  15.342   4.086  -0.741
  617    HA   ALA  79           HA       ALA  79  13.775   2.719   1.316
  618   1HB   ALA  79          1HB       ALA  79  14.773   1.747  -1.361
  619   2HB   ALA  79          2HB       ALA  79  13.103   2.097  -0.911
  620   3HB   ALA  79          3HB       ALA  79  13.949   0.731  -0.178
  621    H    GLN  80           H        GLN  80  14.805   1.882   2.923
  622    HA   GLN  80           HA       GLN  80  17.592   1.548   3.108
  623   1HB   GLN  80          1HB       GLN  80  16.388   1.736   5.139
  624   2HB   GLN  80          2HB       GLN  80  15.239   0.488   4.675
  625   1HG   GLN  80          1HG       GLN  80  16.469  -1.077   5.632
  626   2HG   GLN  80          2HG       GLN  80  17.884  -0.601   4.696
  627   1HE2  GLN  80          1HE2      GLN  80  19.304   0.967   5.563
  628   2HE2  GLN  80          2HE2      GLN  80  19.368   1.257   7.271
  629    HA   PRO  81           HA       PRO  81  18.184  -2.159   0.720
  630   1HB   PRO  81          1HB       PRO  81  20.395  -3.135   2.031
  631   2HB   PRO  81          2HB       PRO  81  20.445  -1.856   0.812
  632   1HG   PRO  81          1HG       PRO  81  20.432  -1.632   3.796
  633   2HG   PRO  81          2HG       PRO  81  21.401  -0.736   2.611
  634   1HD   PRO  81          1HD       PRO  81  19.246   0.358   3.753
  635   2HD   PRO  81          2HD       PRO  81  19.639   0.669   2.050
  636    H    ALA  82           H        ALA  82  17.403  -2.090   3.994
  637    HA   ALA  82           HA       ALA  82  17.160  -5.007   4.136
  638   1HB   ALA  82          1HB       ALA  82  17.080  -3.000   6.384
  639   2HB   ALA  82          2HB       ALA  82  18.483  -3.959   5.914
  640   3HB   ALA  82          3HB       ALA  82  17.040  -4.755   6.543
  641    H    PHE  83           H        PHE  83  15.279  -2.798   2.896
  642    HA   PHE  83           HA       PHE  83  12.829  -3.412   4.374
  643   1HB   PHE  83          1HB       PHE  83  13.596  -1.735   2.002
  644   2HB   PHE  83          2HB       PHE  83  11.947  -2.288   2.133
  645    HD1  PHE  83           HD1      PHE  83  12.107  -2.060   5.319
  646    HD2  PHE  83           HD2      PHE  83  12.836   0.577   2.058
  647    HE1  PHE  83           HE1      PHE  83  11.547  -0.145   6.745
  648    HE2  PHE  83           HE2      PHE  83  12.278   2.504   3.496
  649    HZ   PHE  83           HZ       PHE  83  11.641   2.137   5.838
  650    H    THR  84           H        THR  84  14.353  -4.230   1.270
  651    HA   THR  84           HA       THR  84  13.210  -4.991  -0.600
  652    HB   THR  84           HB       THR  84  13.520  -7.271   1.300
  653    HG1  THR  84           HG1      THR  84  15.557  -6.791   1.011
  654   1HG2  THR  84          1HG2      THR  84  13.265  -7.238  -1.717
  655   2HG2  THR  84          2HG2      THR  84  12.131  -7.968  -0.575
  656   3HG2  THR  84          3HG2      THR  84  13.740  -8.659  -0.776
  657    H    GLY  85           H        GLY  85  11.362  -3.749  -0.156
  658   1HA   GLY  85          1HA       GLY  85   9.559  -4.366   1.902
  659   2HA   GLY  85          2HA       GLY  85   9.382  -3.097   0.719
  660    H    GLY  86           H        GLY  86   8.802  -6.293   1.485
  661   1HA   GLY  86          1HA       GLY  86   6.897  -6.684  -0.641
  662   2HA   GLY  86          2HA       GLY  86   7.215  -7.773   0.685
  663    H    TYR  87           H        TYR  87   5.689  -4.922  -0.312
  664    HA   TYR  87           HA       TYR  87   4.518  -4.282   2.222
  665   1HB   TYR  87          1HB       TYR  87   3.972  -3.255  -0.569
  666   2HB   TYR  87          2HB       TYR  87   3.170  -2.647   0.870
  667    HD1  TYR  87           HD1      TYR  87   6.690  -3.351  -0.183
  668    HD2  TYR  87           HD2      TYR  87   3.973  -0.603   1.599
  669    HE1  TYR  87           HE1      TYR  87   8.527  -1.762   0.165
  670    HE2  TYR  87           HE2      TYR  87   5.818   0.985   1.974
  671    HH   TYR  87           HH       TYR  87   8.291   0.920   2.186
  672    H    ARG  88           H        ARG  88   2.904  -5.542   3.028
  673    HA   ARG  88           HA       ARG  88   1.169  -6.985   1.185
  674   1HB   ARG  88          1HB       ARG  88   1.197  -6.892   4.223
  675   2HB   ARG  88          2HB       ARG  88   0.090  -7.862   3.273
  676   1HG   ARG  88          1HG       ARG  88   2.023  -9.132   2.398
  677   2HG   ARG  88          2HG       ARG  88   3.077  -8.187   3.462
  678   1HD   ARG  88          1HD       ARG  88   1.816  -8.962   5.406
  679   2HD   ARG  88          2HD       ARG  88   0.753  -9.899   4.360
  680    HE   ARG  88           HE       ARG  88   3.327 -10.771   3.851
  681   1HH1  ARG  88          1HH1      ARG  88   1.088 -10.684   6.536
  682   2HH1  ARG  88          2HH1      ARG  88   1.766 -12.071   7.324
  683   1HH2  ARG  88          1HH2      ARG  88   4.207 -12.629   4.866
  684   2HH2  ARG  88          2HH2      ARG  88   3.542 -13.182   6.370
  685    H    CYS  89           H        CYS  89  -0.403  -5.734   0.313
  686    HA   CYS  89           HA       CYS  89  -1.668  -3.726   2.025
  687   1HB   CYS  89          1HB       CYS  89  -0.937  -3.478  -0.512
  688   2HB   CYS  89          2HB       CYS  89  -2.530  -4.163  -0.794
  689    HG   CYS  89           HG       CYS  89  -1.732  -1.211   0.698
  690    H    GLU  90           H        GLU  90  -3.493  -4.113   2.967
  691    HA   GLU  90           HA       GLU  90  -5.125  -6.407   2.141
  692   1HB   GLU  90          1HB       GLU  90  -3.515  -7.224   3.781
  693   2HB   GLU  90          2HB       GLU  90  -3.955  -5.943   4.897
  694   1HG   GLU  90          1HG       GLU  90  -6.196  -6.916   5.107
  695   2HG   GLU  90          2HG       GLU  90  -5.721  -8.218   4.013
  696    H    VAL  91           H        VAL  91  -7.040  -5.418   1.739
  697    HA   VAL  91           HA       VAL  91  -7.976  -3.427   3.676
  698    HB   VAL  91           HB       VAL  91  -8.099  -2.529   1.465
  699   1HG1  VAL  91          1HG1      VAL  91  -8.065  -4.593   0.175
  700   2HG1  VAL  91          2HG1      VAL  91  -9.406  -3.562  -0.328
  701   3HG1  VAL  91          3HG1      VAL  91  -9.706  -4.961   0.707
  702   1HG2  VAL  91          1HG2      VAL  91  -9.914  -1.864   2.859
  703   2HG2  VAL  91          2HG2      VAL  91 -10.810  -3.332   2.480
  704   3HG2  VAL  91          3HG2      VAL  91 -10.540  -2.119   1.230
  705    H    SER  92           H        SER  92  -9.809  -3.608   4.741
  706    HA   SER  92           HA       SER  92 -11.495  -5.962   4.327
  707   1HB   SER  92          1HB       SER  92 -10.297  -5.180   6.999
  708   2HB   SER  92          2HB       SER  92 -11.546  -6.405   6.777
  709    HG   SER  92           HG       SER  92  -9.253  -6.678   5.229
  710    H    THR  93           H        THR  93 -13.347  -5.047   3.859
  711    HA   THR  93           HA       THR  93 -14.353  -2.861   5.573
  712    HB   THR  93           HB       THR  93 -15.184  -2.975   2.775
  713    HG1  THR  93           HG1      THR  93 -12.694  -3.038   3.078
  714   1HG2  THR  93          1HG2      THR  93 -14.665  -0.860   4.821
  715   2HG2  THR  93          2HG2      THR  93 -16.214  -1.387   4.150
  716   3HG2  THR  93          3HG2      THR  93 -15.064  -0.494   3.145
  717    H    LYS  94           H        LYS  94 -16.487  -2.927   5.907
  718    HA   LYS  94           HA       LYS  94 -18.255  -4.179   6.650
  719   1HB   LYS  94          1HB       LYS  94 -19.658  -4.709   4.415
  720   2HB   LYS  94          2HB       LYS  94 -19.570  -3.142   5.184
  721   1HG   LYS  94          1HG       LYS  94 -19.237  -2.608   2.982
  722   2HG   LYS  94          2HG       LYS  94 -17.579  -2.727   3.556
  723   1HD   LYS  94          1HD       LYS  94 -18.144  -3.782   1.306
  724   2HD   LYS  94          2HD       LYS  94 -17.220  -4.748   2.450
  725   1HE   LYS  94          1HE       LYS  94 -19.106  -5.905   1.171
  726   2HE   LYS  94          2HE       LYS  94 -19.024  -6.154   2.907
  727   1HZ   LYS  94          1HZ       LYS  94 -20.839  -4.715   3.255
  728   2HZ   LYS  94          2HZ       LYS  94 -21.291  -5.729   1.975
  729   3HZ   LYS  94          3HZ       LYS  94 -20.804  -4.128   1.666
  730    H    ASP  95           H        ASP  95 -17.579  -5.862   3.666
  731    HA   ASP  95           HA       ASP  95 -17.196  -8.350   5.006
  732   1HB   ASP  95          1HB       ASP  95 -19.727  -7.718   4.222
  733   2HB   ASP  95          2HB       ASP  95 -19.131  -8.601   2.824
  734    H    LYS  96           H        LYS  96 -16.401  -6.204   2.554
  735    HA   LYS  96           HA       LYS  96 -15.745  -8.237   0.615
  736   1HB   LYS  96          1HB       LYS  96 -16.166  -5.372   0.324
  737   2HB   LYS  96          2HB       LYS  96 -14.602  -5.835  -0.264
  738   1HG   LYS  96          1HG       LYS  96 -17.143  -7.187  -1.095
  739   2HG   LYS  96          2HG       LYS  96 -16.408  -5.841  -1.967
  740   1HD   LYS  96          1HD       LYS  96 -14.335  -7.192  -2.189
  741   2HD   LYS  96          2HD       LYS  96 -15.185  -8.550  -1.451
  742   1HE   LYS  96          1HE       LYS  96 -15.960  -7.152  -4.005
  743   2HE   LYS  96          2HE       LYS  96 -15.141  -8.708  -3.895
  744   1HZ   LYS  96          1HZ       LYS  96 -17.866  -8.081  -2.900
  745   2HZ   LYS  96          2HZ       LYS  96 -17.091  -9.592  -2.740
  746   3HZ   LYS  96          3HZ       LYS  96 -17.489  -8.995  -4.282
  747    H    PHE  97           H        PHE  97 -13.867  -8.959   0.389
  748    HA   PHE  97           HA       PHE  97 -11.691  -7.884   2.017
  749   1HB   PHE  97          1HB       PHE  97 -12.904  -9.739   3.142
  750   2HB   PHE  97          2HB       PHE  97 -12.455 -10.790   1.807
  751    HD1  PHE  97           HD1      PHE  97 -10.511  -8.268   3.759
  752    HD2  PHE  97           HD2      PHE  97 -10.903 -12.311   2.487
  753    HE1  PHE  97           HE1      PHE  97  -8.373  -8.819   4.848
  754    HE2  PHE  97           HE2      PHE  97  -8.766 -12.865   3.566
  755    HZ   PHE  97           HZ       PHE  97  -7.497 -11.120   4.750
  756    H    ASP  98           H        ASP  98  -9.632  -8.153   1.261
  757    HA   ASP  98           HA       ASP  98  -8.807 -10.165  -0.509
  758   1HB   ASP  98          1HB       ASP  98 -10.191  -8.613  -2.071
  759   2HB   ASP  98          2HB       ASP  98  -8.800  -7.537  -1.972
  760    H    CYS  99           H        CYS  99  -6.525  -9.762  -1.325
  761    HA   CYS  99           HA       CYS  99  -5.054  -7.762   0.212
  762   1HB   CYS  99          1HB       CYS  99  -4.346 -10.701   0.378
  763   2HB   CYS  99          2HB       CYS  99  -3.541  -9.367   1.197
  764    HG   CYS  99           HG       CYS  99  -6.356  -8.901   2.354
  765    H    SER 100           H        SER 100  -2.938  -7.365  -0.624
  766    HA   SER 100           HA       SER 100  -2.331  -8.742  -3.158
  767   1HB   SER 100          1HB       SER 100  -1.622  -6.548  -4.109
  768   2HB   SER 100          2HB       SER 100  -3.345  -6.644  -3.774
  769    HG   SER 100           HG       SER 100  -1.485  -5.539  -1.953
  770    H    ASN 101           H        ASN 101  -0.348  -9.439  -3.343
  771    HA   ASN 101           HA       ASN 101   1.718  -8.597  -1.456
  772   1HB   ASN 101          1HB       ASN 101   2.963 -10.520  -2.256
  773   2HB   ASN 101          2HB       ASN 101   1.311 -11.036  -1.951
  774   1HD2  ASN 101          1HD2      ASN 101   3.705 -10.395  -4.369
  775   2HD2  ASN 101          2HD2      ASN 101   2.837 -11.055  -5.704
  776    H    PHE 102           H        PHE 102   3.147  -6.974  -2.099
  777    HA   PHE 102           HA       PHE 102   4.315  -7.421  -4.699
  778   1HB   PHE 102          1HB       PHE 102   4.077  -5.237  -5.463
  779   2HB   PHE 102          2HB       PHE 102   2.483  -5.750  -4.958
  780    HD1  PHE 102           HD1      PHE 102   5.262  -3.565  -4.364
  781    HD2  PHE 102           HD2      PHE 102   1.423  -4.746  -3.014
  782    HE1  PHE 102           HE1      PHE 102   5.104  -1.532  -3.070
  783    HE2  PHE 102           HE2      PHE 102   1.259  -2.706  -1.694
  784    HZ   PHE 102           HZ       PHE 102   3.102  -1.071  -1.701
  785    H    ASN 103           H        ASN 103   6.475  -6.807  -4.781
  786    HA   ASN 103           HA       ASN 103   7.668  -6.214  -2.190
  787   1HB   ASN 103          1HB       ASN 103   8.978  -7.683  -4.440
  788   2HB   ASN 103          2HB       ASN 103   9.422  -7.653  -2.773
  789   1HD2  ASN 103          1HD2      ASN 103   7.287  -8.971  -5.081
  790   2HD2  ASN 103          2HD2      ASN 103   6.704 -10.257  -4.086
  791    H    LEU 104           H        LEU 104   9.151  -4.770  -2.024
  792    HA   LEU 104           HA       LEU 104  10.074  -3.308  -4.413
  793   1HB   LEU 104          1HB       LEU 104   9.530  -1.493  -3.179
  794   2HB   LEU 104          2HB       LEU 104   9.535  -2.386  -1.648
  795    HG   LEU 104           HG       LEU 104  12.177  -2.088  -2.608
  796   1HD1  LEU 104          1HD1      LEU 104  11.450  -0.334  -4.009
  797   2HD1  LEU 104          2HD1      LEU 104  12.293   0.391  -2.633
  798   3HD1  LEU 104          3HD1      LEU 104  10.529   0.391  -2.687
  799   1HD2  LEU 104          1HD2      LEU 104  12.459  -1.884  -0.399
  800   2HD2  LEU 104          2HD2      LEU 104  10.715  -1.647  -0.179
  801   3HD2  LEU 104          3HD2      LEU 104  11.759  -0.268  -0.505
  802    H    THR 105           H        THR 105  11.877  -4.130  -5.144
  803    HA   THR 105           HA       THR 105  13.671  -5.505  -3.331
  804    HB   THR 105           HB       THR 105  14.136  -5.153  -6.283
  805    HG1  THR 105           HG1      THR 105  12.019  -6.332  -5.166
  806   1HG2  THR 105          1HG2      THR 105  15.916  -6.099  -4.806
  807   2HG2  THR 105          2HG2      THR 105  15.367  -7.212  -6.061
  808   3HG2  THR 105          3HG2      THR 105  14.813  -7.414  -4.399
  809    H    VAL 106           H        VAL 106  14.688  -3.950  -2.188
  810    HA   VAL 106           HA       VAL 106  15.822  -1.653  -3.417
  811    HB   VAL 106           HB       VAL 106  14.979  -1.389  -1.157
  812   1HG1  VAL 106          1HG1      VAL 106  15.944  -2.489   0.734
  813   2HG1  VAL 106          2HG1      VAL 106  16.955  -3.462  -0.338
  814   3HG1  VAL 106          3HG1      VAL 106  15.196  -3.621  -0.391
  815   1HG2  VAL 106          1HG2      VAL 106  17.969  -1.189  -1.306
  816   2HG2  VAL 106          2HG2      VAL 106  16.960  -0.401  -0.093
  817   3HG2  VAL 106          3HG2      VAL 106  16.799   0.040  -1.798
  818    H    HIS 107           H        HIS 107  17.475  -1.745  -4.434
  819    HA   HIS 107           HA       HIS 107  19.265  -4.000  -4.435
  820   1HB   HIS 107          1HB       HIS 107  19.028  -1.586  -6.240
  821   2HB   HIS 107          2HB       HIS 107  20.310  -2.776  -6.404
  822    HD1  HIS 107           HD1      HIS 107  18.949  -2.708  -8.871
  823    HD2  HIS 107           HD2      HIS 107  17.232  -4.787  -5.696
  824    HE1  HIS 107           HE1      HIS 107  17.283  -4.281  -9.909
  825    HE2  HIS 107           HE2      HIS 107  16.254  -5.534  -7.988
  826    H    GLU 108           H        GLU 108  20.464  -3.804  -2.673
  827    HA   GLU 108           HA       GLU 108  21.980  -1.525  -1.986
  828   1HB   GLU 108          1HB       GLU 108  21.599  -3.429  -0.443
  829   2HB   GLU 108          2HB       GLU 108  22.670  -4.417  -1.429
  830   1HG   GLU 108          1HG       GLU 108  24.526  -2.944  -0.940
  831   2HG   GLU 108          2HG       GLU 108  23.467  -1.880  -0.017
  832    H    ALA 109           H        ALA 109  23.065  -0.610  -3.597
  833    HA   ALA 109           HA       ALA 109  24.984  -2.250  -5.098
  834   1HB   ALA 109          1HB       ALA 109  24.913  -0.514  -6.821
  835   2HB   ALA 109          2HB       ALA 109  23.747   0.396  -5.859
  836   3HB   ALA 109          3HB       ALA 109  23.312  -1.184  -6.513
  837    H    MET 110           H        MET 110  27.019  -2.009  -4.513
  838    HA   MET 110           HA       MET 110  27.829   0.170  -2.817
  839   1HB   MET 110          1HB       MET 110  29.458  -2.083  -4.011
  840   2HB   MET 110          2HB       MET 110  30.042  -0.934  -2.820
  841   1HG   MET 110          1HG       MET 110  29.544  -2.883  -1.628
  842   2HG   MET 110          2HG       MET 110  28.213  -1.778  -1.299
  843   1HE   MET 110          1HE       MET 110  28.789  -3.903  -4.607
  844   2HE   MET 110          2HE       MET 110  27.962  -5.393  -4.151
  845   3HE   MET 110          3HE       MET 110  29.415  -4.893  -3.286
  Start of MODEL   18
    1    H    ASP   1           H        ASP   1 -18.484 -12.245   1.211
    2    HA   ASP   1           HA       ASP   1 -18.260  -9.284   1.507
    3   1HB   ASP   1          1HB       ASP   1 -16.679  -9.457  -0.316
    4   2HB   ASP   1          2HB       ASP   1 -16.191 -10.595   0.934
    5    H    ASP   2           H        ASP   2 -19.571  -8.119   0.437
    6    HA   ASP   2           HA       ASP   2 -21.544  -9.170  -1.333
    7   1HB   ASP   2          1HB       ASP   2 -20.750  -6.484  -0.258
    8   2HB   ASP   2          2HB       ASP   2 -22.108  -6.698  -1.345
    9    HA   PRO   3           HA       PRO   3 -19.511  -7.892  -5.159
   10   1HB   PRO   3          1HB       PRO   3 -21.532  -6.649  -6.513
   11   2HB   PRO   3          2HB       PRO   3 -21.374  -8.404  -6.383
   12   1HG   PRO   3          1HG       PRO   3 -23.123  -6.540  -4.830
   13   2HG   PRO   3          2HG       PRO   3 -23.494  -8.148  -5.480
   14   1HD   PRO   3          1HD       PRO   3 -22.898  -7.729  -2.871
   15   2HD   PRO   3          2HD       PRO   3 -22.486  -9.233  -3.719
   16    H    ILE   4           H        ILE   4 -18.163  -6.412  -4.068
   17    HA   ILE   4           HA       ILE   4 -18.930  -3.578  -4.326
   18    HB   ILE   4           HB       ILE   4 -17.097  -5.014  -2.453
   19   1HG1  ILE   4          1HG1      ILE   4 -18.038  -3.236  -0.896
   20   2HG1  ILE   4          2HG1      ILE   4 -19.096  -2.767  -2.224
   21   1HG2  ILE   4          1HG2      ILE   4 -15.901  -2.970  -1.870
   22   2HG2  ILE   4          2HG2      ILE   4 -16.716  -2.103  -3.170
   23   3HG2  ILE   4          3HG2      ILE   4 -15.593  -3.410  -3.550
   24   1HD1  ILE   4          1HD1      ILE   4 -20.222  -4.239  -0.673
   25   2HD1  ILE   4          2HD1      ILE   4 -18.977  -5.464  -0.920
   26   3HD1  ILE   4          3HD1      ILE   4 -20.043  -5.008  -2.252
   27    H    GLY   5           H        GLY   5 -15.972  -5.525  -4.453
   28   1HA   GLY   5          1HA       GLY   5 -14.474  -5.656  -6.303
   29   2HA   GLY   5          2HA       GLY   5 -15.292  -4.259  -7.003
   30    H    LEU   6           H        LEU   6 -13.938  -5.000  -3.897
   31    HA   LEU   6           HA       LEU   6 -13.297  -2.372  -3.191
   32   1HB   LEU   6          1HB       LEU   6 -13.626  -4.672  -1.901
   33   2HB   LEU   6          2HB       LEU   6 -11.885  -4.720  -2.027
   34    HG   LEU   6           HG       LEU   6 -11.724  -2.646  -0.777
   35   1HD1  LEU   6          1HD1      LEU   6 -13.908  -1.704  -1.550
   36   2HD1  LEU   6          2HD1      LEU   6 -13.597  -1.544   0.177
   37   3HD1  LEU   6          3HD1      LEU   6 -14.695  -2.793  -0.406
   38   1HD2  LEU   6          1HD2      LEU   6 -12.433  -3.526   1.346
   39   2HD2  LEU   6          2HD2      LEU   6 -11.745  -4.804   0.345
   40   3HD2  LEU   6          3HD2      LEU   6 -13.498  -4.672   0.529
   41    H    PHE   7           H        PHE   7 -11.533  -4.924  -4.734
   42    HA   PHE   7           HA       PHE   7  -9.046  -3.459  -4.629
   43   1HB   PHE   7          1HB       PHE   7  -9.749  -6.186  -4.690
   44   2HB   PHE   7          2HB       PHE   7  -8.907  -5.856  -6.202
   45    HD1  PHE   7           HD1      PHE   7  -8.500  -4.697  -2.675
   46    HD2  PHE   7           HD2      PHE   7  -6.728  -6.507  -6.092
   47    HE1  PHE   7           HE1      PHE   7  -6.349  -4.816  -1.493
   48    HE2  PHE   7           HE2      PHE   7  -4.577  -6.628  -4.914
   49    HZ   PHE   7           HZ       PHE   7  -4.383  -5.785  -2.618
   50    H    VAL   8           H        VAL   8  -9.689  -1.735  -5.909
   51    HA   VAL   8           HA       VAL   8 -10.546  -2.058  -8.628
   52    HB   VAL   8           HB       VAL   8  -9.397   0.387  -7.279
   53   1HG1  VAL   8          1HG1      VAL   8  -9.398   0.577  -9.699
   54   2HG1  VAL   8          2HG1      VAL   8 -10.603   1.649  -8.993
   55   3HG1  VAL   8          3HG1      VAL   8 -11.104   0.135  -9.750
   56   1HG2  VAL   8          1HG2      VAL   8 -11.742   1.053  -6.917
   57   2HG2  VAL   8          2HG2      VAL   8 -11.296  -0.400  -6.023
   58   3HG2  VAL   8          3HG2      VAL   8 -12.257  -0.531  -7.497
   59    H    MET   9           H        MET   9  -7.536  -1.122  -7.036
   60    HA   MET   9           HA       MET   9  -6.014  -2.261  -9.203
   61   1HB   MET   9          1HB       MET   9  -6.373   0.062  -9.972
   62   2HB   MET   9          2HB       MET   9  -5.600   0.628  -8.501
   63   1HG   MET   9          1HG       MET   9  -4.030   0.673 -10.327
   64   2HG   MET   9          2HG       MET   9  -3.552  -0.523  -9.123
   65   1HE   MET   9          1HE       MET   9  -2.287  -2.230 -12.379
   66   2HE   MET   9          2HE       MET   9  -1.895  -1.778 -10.719
   67   3HE   MET   9          3HE       MET   9  -2.211  -0.526 -11.921
   68    H    ARG  10           H        ARG  10  -4.242  -3.153  -8.449
   69    HA   ARG  10           HA       ARG  10  -3.527  -2.624  -5.662
   70   1HB   ARG  10          1HB       ARG  10  -2.659  -4.902  -5.606
   71   2HB   ARG  10          2HB       ARG  10  -4.345  -4.896  -6.096
   72   1HG   ARG  10          1HG       ARG  10  -3.647  -5.168  -8.434
   73   2HG   ARG  10          2HG       ARG  10  -1.960  -5.214  -7.912
   74   1HD   ARG  10          1HD       ARG  10  -2.658  -7.152  -6.407
   75   2HD   ARG  10          2HD       ARG  10  -4.152  -7.194  -7.345
   76    HE   ARG  10           HE       ARG  10  -2.349  -7.313  -9.301
   77   1HH1  ARG  10          1HH1      ARG  10  -2.580  -9.105  -6.281
   78   2HH1  ARG  10          2HH1      ARG  10  -1.653 -10.457  -6.863
   79   1HH2  ARG  10          1HH2      ARG  10  -1.130  -9.113 -10.068
   80   2HH2  ARG  10          2HH2      ARG  10  -0.866 -10.473  -9.013
   81    HA   PRO  11           HA       PRO  11   0.316  -1.151  -7.195
   82   1HB   PRO  11          1HB       PRO  11   1.789  -1.486  -4.870
   83   2HB   PRO  11          2HB       PRO  11   0.811  -0.080  -5.270
   84   1HG   PRO  11          1HG       PRO  11   0.343  -2.142  -3.313
   85   2HG   PRO  11          2HG       PRO  11  -0.481  -0.589  -3.519
   86   1HD   PRO  11          1HD       PRO  11  -1.440  -3.195  -4.207
   87   2HD   PRO  11          2HD       PRO  11  -2.250  -1.635  -4.443
   88    H    GLN  12           H        GLN  12   2.478  -1.856  -7.626
   89    HA   GLN  12           HA       GLN  12   2.698  -4.781  -7.585
   90   1HB   GLN  12          1HB       GLN  12   3.654  -2.807  -9.662
   91   2HB   GLN  12          2HB       GLN  12   3.813  -4.554  -9.746
   92   1HG   GLN  12          1HG       GLN  12   1.177  -3.160  -9.503
   93   2HG   GLN  12          2HG       GLN  12   1.912  -3.557 -11.058
   94   1HE2  GLN  12          1HE2      GLN  12   0.585  -4.907  -8.084
   95   2HE2  GLN  12          2HE2      GLN  12   0.244  -6.470  -8.741
   96    H    ASP  13           H        ASP  13   5.224  -5.238  -8.228
   97    HA   ASP  13           HA       ASP  13   6.584  -4.520  -5.915
   98   1HB   ASP  13          1HB       ASP  13   8.382  -5.829  -7.195
   99   2HB   ASP  13          2HB       ASP  13   6.931  -6.687  -6.743
  100    H    GLY  14           H        GLY  14   9.065  -4.606  -7.361
  101   1HA   GLY  14          1HA       GLY  14   9.816  -2.597  -8.939
  102   2HA   GLY  14          2HA       GLY  14   9.467  -1.745  -7.447
  103    H    GLU  15           H        GLU  15  11.829  -2.601  -9.098
  104    HA   GLU  15           HA       GLU  15  13.527  -3.375  -6.834
  105   1HB   GLU  15          1HB       GLU  15  14.045  -3.768  -9.798
  106   2HB   GLU  15          2HB       GLU  15  15.212  -4.102  -8.528
  107   1HG   GLU  15          1HG       GLU  15  13.492  -5.721  -7.582
  108   2HG   GLU  15          2HG       GLU  15  12.645  -5.539  -9.114
  109    H    VAL  16           H        VAL  16  14.585  -1.672  -6.042
  110    HA   VAL  16           HA       VAL  16  15.098   0.569  -7.765
  111    HB   VAL  16           HB       VAL  16  14.254   2.053  -6.174
  112   1HG1  VAL  16          1HG1      VAL  16  11.942   1.367  -5.746
  113   2HG1  VAL  16          2HG1      VAL  16  12.379  -0.285  -6.183
  114   3HG1  VAL  16          3HG1      VAL  16  12.466   0.999  -7.388
  115   1HG2  VAL  16          1HG2      VAL  16  13.488   1.384  -3.905
  116   2HG2  VAL  16          2HG2      VAL  16  15.221   1.181  -4.158
  117   3HG2  VAL  16          3HG2      VAL  16  14.149  -0.223  -4.209
  118    H    THR  17           H        THR  17  16.707   1.872  -6.760
  119    HA   THR  17           HA       THR  17  18.740   0.285  -5.396
  120    HB   THR  17           HB       THR  17  19.345   3.045  -6.267
  121    HG1  THR  17           HG1      THR  17  18.380   1.063  -7.969
  122   1HG2  THR  17          1HG2      THR  17  20.790   0.417  -6.574
  123   2HG2  THR  17          2HG2      THR  17  21.073   1.620  -5.317
  124   3HG2  THR  17          3HG2      THR  17  21.441   2.000  -7.001
  125    H    VAL  18           H        VAL  18  19.796   1.150  -3.527
  126    HA   VAL  18           HA       VAL  18  18.206   2.549  -1.695
  127    HB   VAL  18           HB       VAL  18  21.144   2.649  -1.516
  128   1HG1  VAL  18          1HG1      VAL  18  19.894   3.819   0.156
  129   2HG1  VAL  18          2HG1      VAL  18  20.705   2.431   0.885
  130   3HG1  VAL  18          3HG1      VAL  18  18.980   2.357   0.531
  131   1HG2  VAL  18          1HG2      VAL  18  19.507   0.231  -0.824
  132   2HG2  VAL  18          2HG2      VAL  18  21.229   0.439  -0.495
  133   3HG2  VAL  18          3HG2      VAL  18  20.650   0.353  -2.163
  134    H    GLY  19           H        GLY  19  17.616   4.335  -2.234
  135   1HA   GLY  19          1HA       GLY  19  18.120   6.699  -1.774
  136   2HA   GLY  19          2HA       GLY  19  19.570   6.476  -2.745
  137    H    GLY  20           H        GLY  20  16.837   4.845  -4.050
  138   1HA   GLY  20          1HA       GLY  20  16.399   7.086  -5.867
  139   2HA   GLY  20          2HA       GLY  20  15.904   5.425  -6.125
  140    H    SER  21           H        SER  21  13.950   5.283  -6.035
  141    HA   SER  21           HA       SER  21  12.515   5.950  -3.712
  142   1HB   SER  21          1HB       SER  21  10.659   6.833  -5.116
  143   2HB   SER  21          2HB       SER  21  12.038   7.877  -4.948
  144    HG   SER  21           HG       SER  21  11.131   7.631  -7.134
  145    H    ILE  22           H        ILE  22  10.424   5.005  -3.813
  146    HA   ILE  22           HA       ILE  22   9.804   3.166  -5.882
  147    HB   ILE  22           HB       ILE  22  10.862   1.764  -4.214
  148   1HG1  ILE  22          1HG1      ILE  22   9.012   0.151  -3.988
  149   2HG1  ILE  22          2HG1      ILE  22   7.908   1.393  -4.546
  150   1HG2  ILE  22          1HG2      ILE  22  10.393   2.929  -2.163
  151   2HG2  ILE  22          2HG2      ILE  22   9.732   1.296  -2.072
  152   3HG2  ILE  22          3HG2      ILE  22   8.663   2.664  -2.384
  153   1HD1  ILE  22          1HD1      ILE  22   9.144   1.497  -6.670
  154   2HD1  ILE  22          2HD1      ILE  22   8.456  -0.096  -6.355
  155   3HD1  ILE  22          3HD1      ILE  22  10.179   0.182  -6.110
  156    H    THR  23           H        THR  23   7.716   2.796  -5.945
  157    HA   THR  23           HA       THR  23   5.943   4.566  -4.469
  158    HB   THR  23           HB       THR  23   5.824   4.578  -7.464
  159    HG1  THR  23           HG1      THR  23   7.441   6.020  -5.721
  160   1HG2  THR  23          1HG2      THR  23   4.421   6.561  -7.112
  161   2HG2  THR  23          2HG2      THR  23   4.632   6.406  -5.370
  162   3HG2  THR  23          3HG2      THR  23   3.753   5.165  -6.265
  163    H    PHE  24           H        PHE  24   4.290   3.546  -3.905
  164    HA   PHE  24           HA       PHE  24   3.164   1.432  -5.609
  165   1HB   PHE  24          1HB       PHE  24   3.072   1.559  -2.588
  166   2HB   PHE  24          2HB       PHE  24   2.433   0.289  -3.601
  167    HD1  PHE  24           HD1      PHE  24   4.018  -1.197  -4.862
  168    HD2  PHE  24           HD2      PHE  24   5.315   1.555  -1.890
  169    HE1  PHE  24           HE1      PHE  24   6.153  -2.400  -4.688
  170    HE2  PHE  24           HE2      PHE  24   7.457   0.358  -1.715
  171    HZ   PHE  24           HZ       PHE  24   7.829  -1.696  -3.064
  172    H    SER  25           H        SER  25   0.969   1.479  -5.727
  173    HA   SER  25           HA       SER  25  -0.484   3.614  -4.430
  174   1HB   SER  25          1HB       SER  25  -0.977   3.054  -7.310
  175   2HB   SER  25          2HB       SER  25  -1.341   4.492  -6.385
  176    HG   SER  25           HG       SER  25   1.162   4.462  -6.212
  177    H    ALA  26           H        ALA  26  -2.223   2.917  -3.657
  178    HA   ALA  26           HA       ALA  26  -3.355   0.336  -4.510
  179   1HB   ALA  26          1HB       ALA  26  -4.069   0.041  -2.152
  180   2HB   ALA  26          2HB       ALA  26  -3.232   1.542  -1.742
  181   3HB   ALA  26          3HB       ALA  26  -2.317   0.170  -2.312
  182    H    ARG  27           H        ARG  27  -5.279   0.565  -5.466
  183    HA   ARG  27           HA       ARG  27  -6.894   2.936  -4.788
  184   1HB   ARG  27          1HB       ARG  27  -6.982   1.185  -7.250
  185   2HB   ARG  27          2HB       ARG  27  -8.006   2.584  -6.962
  186   1HG   ARG  27          1HG       ARG  27  -6.044   4.026  -6.953
  187   2HG   ARG  27          2HG       ARG  27  -5.013   2.623  -7.242
  188   1HD   ARG  27          1HD       ARG  27  -5.318   3.550  -9.365
  189   2HD   ARG  27          2HD       ARG  27  -6.461   2.205  -9.300
  190    HE   ARG  27           HE       ARG  27  -7.708   4.614  -8.479
  191   1HH1  ARG  27          1HH1      ARG  27  -6.555   2.947 -11.330
  192   2HH1  ARG  27          2HH1      ARG  27  -7.654   3.755 -12.403
  193   1HH2  ARG  27          1HH2      ARG  27  -9.116   5.748  -9.916
  194   2HH2  ARG  27          2HH2      ARG  27  -9.060   5.383 -11.617
  195    H    VAL  28           H        VAL  28  -8.557   2.529  -3.472
  196    HA   VAL  28           HA       VAL  28  -9.860  -0.077  -3.671
  197    HB   VAL  28           HB       VAL  28  -9.758   1.639  -1.208
  198   1HG1  VAL  28          1HG1      VAL  28 -11.696   0.083  -1.482
  199   2HG1  VAL  28          2HG1      VAL  28 -10.684  -0.261  -0.078
  200   3HG1  VAL  28          3HG1      VAL  28 -10.545  -1.256  -1.527
  201   1HG2  VAL  28          1HG2      VAL  28  -8.071  -0.734  -1.976
  202   2HG2  VAL  28          2HG2      VAL  28  -8.155  -0.055  -0.352
  203   3HG2  VAL  28          3HG2      VAL  28  -7.524   0.917  -1.681
  204    H    ALA  29           H        ALA  29 -11.758  -0.011  -4.259
  205    HA   ALA  29           HA       ALA  29 -13.394   2.158  -4.777
  206   1HB   ALA  29          1HB       ALA  29 -13.722  -0.029  -5.808
  207   2HB   ALA  29          2HB       ALA  29 -15.198   0.526  -5.016
  208   3HB   ALA  29          3HB       ALA  29 -14.189  -0.698  -4.243
  209    H    GLY  30           H        GLY  30 -13.969   3.525  -3.303
  210   1HA   GLY  30          1HA       GLY  30 -14.475   3.321  -0.632
  211   2HA   GLY  30          2HA       GLY  30 -15.427   4.356  -1.697
  212    H    ALA  31           H        ALA  31 -16.852   2.762  -3.170
  213    HA   ALA  31           HA       ALA  31 -18.665   1.465  -3.363
  214   1HB   ALA  31          1HB       ALA  31 -17.310  -0.275  -1.325
  215   2HB   ALA  31          2HB       ALA  31 -16.877  -0.208  -3.034
  216   3HB   ALA  31          3HB       ALA  31 -18.478  -0.772  -2.555
  217    H    SER  32           H        SER  32 -19.834  -0.305  -1.408
  218    HA   SER  32           HA       SER  32 -21.060   1.659   0.409
  219   1HB   SER  32          1HB       SER  32 -23.086   0.125   0.276
  220   2HB   SER  32          2HB       SER  32 -22.703   1.007  -1.201
  221    HG   SER  32           HG       SER  32 -22.745  -1.674  -0.740
  222    H    LEU  33           H        LEU  33 -21.223   1.116   2.557
  223    HA   LEU  33           HA       LEU  33 -20.596  -1.512   3.483
  224   1HB   LEU  33          1HB       LEU  33 -18.754  -0.579   4.955
  225   2HB   LEU  33          2HB       LEU  33 -18.363  -0.992   3.315
  226    HG   LEU  33           HG       LEU  33 -17.310   1.102   4.314
  227   1HD1  LEU  33          1HD1      LEU  33 -18.793   1.235   1.701
  228   2HD1  LEU  33          2HD1      LEU  33 -17.151   0.665   1.988
  229   3HD1  LEU  33          3HD1      LEU  33 -17.542   2.370   2.205
  230   1HD2  LEU  33          1HD2      LEU  33 -18.537   3.151   4.294
  231   2HD2  LEU  33          2HD2      LEU  33 -19.366   2.006   5.344
  232   3HD2  LEU  33          3HD2      LEU  33 -19.996   2.341   3.737
  233    H    LEU  34           H        LEU  34 -20.123  -1.346   5.961
  234    HA   LEU  34           HA       LEU  34 -22.098   0.432   7.177
  235   1HB   LEU  34          1HB       LEU  34 -22.113  -1.965   7.806
  236   2HB   LEU  34          2HB       LEU  34 -20.479  -1.784   8.423
  237    HG   LEU  34           HG       LEU  34 -21.452   0.054   9.906
  238   1HD1  LEU  34          1HD1      LEU  34 -23.806  -0.151  10.463
  239   2HD1  LEU  34          2HD1      LEU  34 -24.003  -1.394   9.227
  240   3HD1  LEU  34          3HD1      LEU  34 -23.598   0.257   8.760
  241   1HD2  LEU  34          1HD2      LEU  34 -22.182  -2.840  10.358
  242   2HD2  LEU  34          2HD2      LEU  34 -22.145  -1.597  11.605
  243   3HD2  LEU  34          3HD2      LEU  34 -20.656  -2.064  10.784
  244    H    LYS  35           H        LYS  35 -18.742  -0.554   7.387
  245    HA   LYS  35           HA       LYS  35 -18.056   2.143   8.290
  246   1HB   LYS  35          1HB       LYS  35 -15.898   0.835   9.124
  247   2HB   LYS  35          2HB       LYS  35 -17.326   0.986  10.134
  248   1HG   LYS  35          1HG       LYS  35 -16.626  -1.265  10.297
  249   2HG   LYS  35          2HG       LYS  35 -18.056  -1.258   9.264
  250   1HD   LYS  35          1HD       LYS  35 -16.861  -2.421   7.784
  251   2HD   LYS  35          2HD       LYS  35 -15.924  -0.953   7.503
  252   1HE   LYS  35          1HE       LYS  35 -14.409  -2.752   7.969
  253   2HE   LYS  35          2HE       LYS  35 -14.398  -1.642   9.339
  254   1HZ   LYS  35          1HZ       LYS  35 -14.479  -4.061   9.921
  255   2HZ   LYS  35          2HZ       LYS  35 -16.042  -4.112   9.262
  256   3HZ   LYS  35          3HZ       LYS  35 -15.720  -3.132  10.603
  257    HA   PRO  36           HA       PRO  36 -16.175   2.710   4.439
  258   1HB   PRO  36          1HB       PRO  36 -14.009   4.262   5.196
  259   2HB   PRO  36          2HB       PRO  36 -15.649   4.865   4.938
  260   1HG   PRO  36          1HG       PRO  36 -14.256   4.190   7.488
  261   2HG   PRO  36          2HG       PRO  36 -15.393   5.502   7.136
  262   1HD   PRO  36          1HD       PRO  36 -16.125   3.287   8.478
  263   2HD   PRO  36          2HD       PRO  36 -17.237   4.142   7.397
  264    HA   PRO  37           HA       PRO  37 -13.166  -0.389   3.898
  265   1HB   PRO  37          1HB       PRO  37 -11.410   0.860   2.137
  266   2HB   PRO  37          2HB       PRO  37 -12.746  -0.220   1.739
  267   1HG   PRO  37          1HG       PRO  37 -12.593   2.692   1.454
  268   2HG   PRO  37          2HG       PRO  37 -13.741   1.555   0.728
  269   1HD   PRO  37          1HD       PRO  37 -14.296   3.341   2.791
  270   2HD   PRO  37          2HD       PRO  37 -15.290   1.941   2.324
  271    H    VAL  38           H        VAL  38 -11.660  -0.937   5.154
  272    HA   VAL  38           HA       VAL  38  -9.759   1.030   6.156
  273    HB   VAL  38           HB       VAL  38  -9.951  -1.674   7.316
  274   1HG1  VAL  38          1HG1      VAL  38  -9.250  -0.537   9.364
  275   2HG1  VAL  38          2HG1      VAL  38  -9.311   1.006   8.508
  276   3HG1  VAL  38          3HG1      VAL  38  -8.153  -0.229   8.017
  277   1HG2  VAL  38          1HG2      VAL  38 -11.647  -0.939   8.955
  278   2HG2  VAL  38          2HG2      VAL  38 -12.275  -1.003   7.306
  279   3HG2  VAL  38          3HG2      VAL  38 -11.850   0.551   8.029
  280    H    VAL  39           H        VAL  39  -8.238   0.951   4.846
  281    HA   VAL  39           HA       VAL  39  -7.128  -1.531   3.869
  282    HB   VAL  39           HB       VAL  39  -6.114   1.133   3.034
  283   1HG1  VAL  39          1HG1      VAL  39  -5.652  -0.055   0.925
  284   2HG1  VAL  39          2HG1      VAL  39  -6.329  -1.519   1.641
  285   3HG1  VAL  39          3HG1      VAL  39  -4.875  -0.793   2.327
  286   1HG2  VAL  39          1HG2      VAL  39  -8.552   1.292   2.801
  287   2HG2  VAL  39          2HG2      VAL  39  -8.546  -0.172   1.822
  288   3HG2  VAL  39          3HG2      VAL  39  -7.746   1.289   1.234
  289    H    LYS  40           H        LYS  40  -5.685  -2.235   5.093
  290    HA   LYS  40           HA       LYS  40  -3.845  -0.494   6.437
  291   1HB   LYS  40          1HB       LYS  40  -3.247  -2.421   7.803
  292   2HB   LYS  40          2HB       LYS  40  -4.931  -2.003   7.949
  293   1HG   LYS  40          1HG       LYS  40  -5.244  -4.209   7.692
  294   2HG   LYS  40          2HG       LYS  40  -5.025  -3.846   5.981
  295   1HD   LYS  40          1HD       LYS  40  -3.427  -5.452   6.094
  296   2HD   LYS  40          2HD       LYS  40  -2.438  -4.151   6.753
  297   1HE   LYS  40          1HE       LYS  40  -4.019  -6.183   8.339
  298   2HE   LYS  40          2HE       LYS  40  -2.268  -6.154   8.136
  299   1HZ   LYS  40          1HZ       LYS  40  -3.827  -3.976   9.432
  300   2HZ   LYS  40          2HZ       LYS  40  -2.136  -4.136   9.384
  301   3HZ   LYS  40          3HZ       LYS  40  -3.070  -5.232  10.281
  302    H    TRP  41           H        TRP  41  -2.051  -0.317   5.826
  303    HA   TRP  41           HA       TRP  41  -0.889  -1.953   3.743
  304   1HB   TRP  41          1HB       TRP  41  -0.042   0.597   5.081
  305   2HB   TRP  41          2HB       TRP  41   0.940  -0.243   3.885
  306    HD1  TRP  41           HD1      TRP  41  -2.401   1.618   4.220
  307    HE1  TRP  41           HE1      TRP  41  -3.013   2.516   1.870
  308    HE3  TRP  41           HE3      TRP  41   1.219  -0.691   1.459
  309    HZ2  TRP  41           HZ2      TRP  41  -2.131   2.203  -0.786
  310    HZ3  TRP  41           HZ3      TRP  41   1.255  -0.351  -0.979
  311    HH2  TRP  41           HH2      TRP  41  -0.412   1.077  -2.066
  312    H    PHE  42           H        PHE  42   1.057  -2.846   3.845
  313    HA   PHE  42           HA       PHE  42   2.436  -3.046   6.406
  314   1HB   PHE  42          1HB       PHE  42   1.119  -5.198   5.821
  315   2HB   PHE  42          2HB       PHE  42   2.227  -5.364   4.466
  316    HD1  PHE  42           HD1      PHE  42   4.453  -6.164   4.775
  317    HD2  PHE  42           HD2      PHE  42   1.956  -5.381   8.137
  318    HE1  PHE  42           HE1      PHE  42   6.050  -7.348   6.231
  319    HE2  PHE  42           HE2      PHE  42   3.545  -6.567   9.594
  320    HZ   PHE  42           HZ       PHE  42   5.593  -7.550   8.642
  321    H    LYS  43           H        LYS  43   4.674  -2.966   6.074
  322    HA   LYS  43           HA       LYS  43   5.322  -1.934   3.399
  323   1HB   LYS  43          1HB       LYS  43   5.585  -0.279   5.174
  324   2HB   LYS  43          2HB       LYS  43   6.531  -1.408   6.144
  325   1HG   LYS  43          1HG       LYS  43   8.375  -1.245   4.644
  326   2HG   LYS  43          2HG       LYS  43   7.410  -0.324   3.484
  327   1HD   LYS  43          1HD       LYS  43   7.209   1.499   5.067
  328   2HD   LYS  43          2HD       LYS  43   8.076   0.567   6.288
  329   1HE   LYS  43          1HE       LYS  43   9.539   2.194   5.234
  330   2HE   LYS  43          2HE       LYS  43  10.054   0.545   4.867
  331   1HZ   LYS  43          1HZ       LYS  43  10.088   2.082   2.941
  332   2HZ   LYS  43          2HZ       LYS  43   8.404   2.192   3.041
  333   3HZ   LYS  43          3HZ       LYS  43   9.134   0.706   2.696
  334    H    GLY  44           H        GLY  44   7.645  -2.552   2.768
  335   1HA   GLY  44          1HA       GLY  44   8.482  -4.770   2.044
  336   2HA   GLY  44          2HA       GLY  44   9.644  -3.848   2.954
  337    H    LYS  45           H        LYS  45  10.707  -5.929   3.291
  338    HA   LYS  45           HA       LYS  45   9.576  -8.349   3.804
  339   1HB   LYS  45          1HB       LYS  45  12.155  -7.153   4.002
  340   2HB   LYS  45          2HB       LYS  45  11.942  -8.272   5.341
  341   1HG   LYS  45          1HG       LYS  45  11.304 -10.024   3.707
  342   2HG   LYS  45          2HG       LYS  45  11.655  -8.872   2.411
  343   1HD   LYS  45          1HD       LYS  45  13.561 -10.338   2.781
  344   2HD   LYS  45          2HD       LYS  45  13.956  -8.670   3.211
  345   1HE   LYS  45          1HE       LYS  45  13.475  -9.239   5.591
  346   2HE   LYS  45          2HE       LYS  45  13.257 -10.920   5.103
  347   1HZ   LYS  45          1HZ       LYS  45  15.743  -9.303   4.985
  348   2HZ   LYS  45          2HZ       LYS  45  15.582 -10.798   4.200
  349   3HZ   LYS  45          3HZ       LYS  45  15.464 -10.712   5.888
  350    H    TRP  46           H        TRP  46   9.355  -5.874   6.177
  351    HA   TRP  46           HA       TRP  46   8.413  -7.759   8.146
  352   1HB   TRP  46          1HB       TRP  46  10.017  -6.704   9.824
  353   2HB   TRP  46          2HB       TRP  46  10.633  -7.953   8.760
  354    HD1  TRP  46           HD1      TRP  46  12.141  -7.041   6.644
  355    HE1  TRP  46           HE1      TRP  46  13.664  -4.983   6.461
  356    HE3  TRP  46           HE3      TRP  46  10.382  -4.419  10.655
  357    HZ2  TRP  46           HZ2      TRP  46  14.081  -2.558   7.872
  358    HZ3  TRP  46           HZ3      TRP  46  11.395  -2.240  11.173
  359    HH2  TRP  46           HH2      TRP  46  13.199  -1.329   9.813
  360    H    VAL  47           H        VAL  47   8.189  -4.723   6.844
  361    HA   VAL  47           HA       VAL  47   8.069  -3.278   9.265
  362    HB   VAL  47           HB       VAL  47   7.831  -1.667   6.899
  363   1HG1  VAL  47          1HG1      VAL  47   9.986  -1.953   8.963
  364   2HG1  VAL  47          2HG1      VAL  47   8.557  -0.929   9.104
  365   3HG1  VAL  47          3HG1      VAL  47   9.777  -0.583   7.874
  366   1HG2  VAL  47          1HG2      VAL  47  10.131  -3.617   6.960
  367   2HG2  VAL  47          2HG2      VAL  47  10.181  -2.088   6.084
  368   3HG2  VAL  47          3HG2      VAL  47   9.000  -3.315   5.637
  369    H    ASP  48           H        ASP  48   6.625  -1.647   9.369
  370    HA   ASP  48           HA       ASP  48   3.984  -2.017   8.284
  371   1HB   ASP  48          1HB       ASP  48   3.297  -0.723  10.248
  372   2HB   ASP  48          2HB       ASP  48   4.106  -2.187  10.748
  373    H    LEU  49           H        LEU  49   3.016  -0.017   7.580
  374    HA   LEU  49           HA       LEU  49   4.878   2.182   7.193
  375   1HB   LEU  49          1HB       LEU  49   2.088   1.818   6.138
  376   2HB   LEU  49          2HB       LEU  49   3.097   3.227   5.873
  377    HG   LEU  49           HG       LEU  49   4.750   1.502   4.827
  378   1HD1  LEU  49          1HD1      LEU  49   2.123   0.143   4.302
  379   2HD1  LEU  49          2HD1      LEU  49   3.331  -0.462   5.443
  380   3HD1  LEU  49          3HD1      LEU  49   3.724  -0.328   3.728
  381   1HD2  LEU  49          1HD2      LEU  49   3.555   3.378   3.753
  382   2HD2  LEU  49          2HD2      LEU  49   2.227   2.258   3.408
  383   3HD2  LEU  49          3HD2      LEU  49   3.821   1.986   2.699
  384    H    SER  50           H        SER  50   2.310   1.319   9.228
  385    HA   SER  50           HA       SER  50   0.882   3.695   9.306
  386   1HB   SER  50          1HB       SER  50  -0.019   1.512  10.059
  387   2HB   SER  50          2HB       SER  50   1.074   1.557  11.441
  388    HG   SER  50           HG       SER  50  -0.116   3.814  11.604
  389    H    SER  51           H        SER  51   3.863   2.732  10.682
  390    HA   SER  51           HA       SER  51   3.641   4.823  12.588
  391   1HB   SER  51          1HB       SER  51   5.729   2.701  12.323
  392   2HB   SER  51          2HB       SER  51   5.629   3.867  13.621
  393    HG   SER  51           HG       SER  51   4.010   1.658  13.070
  394    H    LYS  52           H        LYS  52   5.289   3.905   9.793
  395    HA   LYS  52           HA       LYS  52   7.542   5.639  10.212
  396   1HB   LYS  52          1HB       LYS  52   7.455   4.295   7.665
  397   2HB   LYS  52          2HB       LYS  52   8.661   4.197   8.933
  398   1HG   LYS  52          1HG       LYS  52   6.168   2.570   8.630
  399   2HG   LYS  52          2HG       LYS  52   7.820   2.024   8.430
  400   1HD   LYS  52          1HD       LYS  52   7.021   3.133  11.069
  401   2HD   LYS  52          2HD       LYS  52   6.413   1.533  10.621
  402   1HE   LYS  52          1HE       LYS  52   8.862   0.974  10.102
  403   2HE   LYS  52          2HE       LYS  52   9.258   2.448  10.986
  404   1HZ   LYS  52          1HZ       LYS  52   7.702   0.154  12.072
  405   2HZ   LYS  52          2HZ       LYS  52   8.100   1.571  12.918
  406   3HZ   LYS  52          3HZ       LYS  52   9.322   0.509  12.434
  407    H    VAL  53           H        VAL  53   4.857   5.323   8.119
  408    HA   VAL  53           HA       VAL  53   4.963   7.004   6.143
  409    HB   VAL  53           HB       VAL  53   2.765   6.727   8.195
  410   1HG1  VAL  53          1HG1      VAL  53   2.198   8.762   7.110
  411   2HG1  VAL  53          2HG1      VAL  53   1.271   7.498   6.283
  412   3HG1  VAL  53          3HG1      VAL  53   2.734   8.154   5.544
  413   1HG2  VAL  53          1HG2      VAL  53   1.792   5.260   6.543
  414   2HG2  VAL  53          2HG2      VAL  53   3.418   4.732   6.982
  415   3HG2  VAL  53          3HG2      VAL  53   3.144   5.571   5.455
  416    H    GLY  54           H        GLY  54   6.329   8.523   6.288
  417   1HA   GLY  54          1HA       GLY  54   5.419  11.058   7.388
  418   2HA   GLY  54          2HA       GLY  54   6.905  10.464   8.114
  419    H    GLN  55           H        GLN  55   8.827  10.498   6.891
  420    HA   GLN  55           HA       GLN  55   8.719  12.545   4.807
  421   1HB   GLN  55          1HB       GLN  55  10.940  11.526   6.557
  422   2HB   GLN  55          2HB       GLN  55  11.228  12.615   5.206
  423   1HG   GLN  55          1HG       GLN  55   9.748  14.269   6.228
  424   2HG   GLN  55          2HG       GLN  55   9.472  13.171   7.583
  425   1HE2  GLN  55          1HE2      GLN  55  10.291  14.681   9.037
  426   2HE2  GLN  55          2HE2      GLN  55  11.986  15.005   9.165
  427    H    HIS  56           H        HIS  56  10.177   9.325   5.300
  428    HA   HIS  56           HA       HIS  56  11.107   9.336   2.540
  429   1HB   HIS  56          1HB       HIS  56  12.169   7.204   3.057
  430   2HB   HIS  56          2HB       HIS  56  12.581   8.398   4.273
  431    HD1  HIS  56           HD1      HIS  56  10.751   5.211   3.760
  432    HD2  HIS  56           HD2      HIS  56  11.651   7.817   6.857
  433    HE1  HIS  56           HE1      HIS  56  10.020   4.029   5.855
  434    HE2  HIS  56           HE2      HIS  56  10.823   5.524   7.734
  435    H    LEU  57           H        LEU  57   8.763   7.758   4.499
  436    HA   LEU  57           HA       LEU  57   7.424   6.700   2.120
  437   1HB   LEU  57          1HB       LEU  57   8.189   4.850   3.416
  438   2HB   LEU  57          2HB       LEU  57   7.817   5.607   4.923
  439    HG   LEU  57           HG       LEU  57   6.412   3.601   3.517
  440   1HD1  LEU  57          1HD1      LEU  57   5.774   5.134   6.011
  441   2HD1  LEU  57          2HD1      LEU  57   6.753   3.674   5.872
  442   3HD1  LEU  57          3HD1      LEU  57   5.025   3.614   5.522
  443   1HD2  LEU  57          1HD2      LEU  57   5.136   5.281   2.301
  444   2HD2  LEU  57          2HD2      LEU  57   4.733   6.092   3.811
  445   3HD2  LEU  57          3HD2      LEU  57   4.123   4.468   3.494
  446    H    GLN  58           H        GLN  58   6.037   8.389   1.827
  447    HA   GLN  58           HA       GLN  58   4.216   8.975   3.984
  448   1HB   GLN  58          1HB       GLN  58   4.088  10.015   1.154
  449   2HB   GLN  58          2HB       GLN  58   3.320  10.679   2.586
  450   1HG   GLN  58          1HG       GLN  58   5.001  12.140   2.335
  451   2HG   GLN  58          2HG       GLN  58   5.806  10.980   3.365
  452   1HE2  GLN  58          1HE2      GLN  58   7.495   9.829   2.564
  453   2HE2  GLN  58          2HE2      GLN  58   8.206  10.138   1.015
  454    H    LEU  59           H        LEU  59   2.743   7.569   4.153
  455    HA   LEU  59           HA       LEU  59   1.642   6.123   1.895
  456   1HB   LEU  59          1HB       LEU  59   2.263   4.974   4.143
  457   2HB   LEU  59          2HB       LEU  59   0.911   5.836   4.834
  458    HG   LEU  59           HG       LEU  59   0.872   3.561   2.872
  459   1HD1  LEU  59          1HD1      LEU  59   0.056   4.134   5.669
  460   2HD1  LEU  59          2HD1      LEU  59   0.978   2.765   5.000
  461   3HD1  LEU  59          3HD1      LEU  59  -0.773   2.871   4.746
  462   1HD2  LEU  59          1HD2      LEU  59  -0.700   5.213   2.014
  463   2HD2  LEU  59          2HD2      LEU  59  -1.439   5.356   3.613
  464   3HD2  LEU  59          3HD2      LEU  59  -1.550   3.837   2.723
  465    H    HIS  60           H        HIS  60   0.542   7.680   0.901
  466    HA   HIS  60           HA       HIS  60  -1.123   9.531   2.239
  467   1HB   HIS  60          1HB       HIS  60  -0.519   9.056  -0.668
  468   2HB   HIS  60          2HB       HIS  60  -1.675  10.239  -0.109
  469    HD1  HIS  60           HD1      HIS  60  -0.756  12.362   1.049
  470    HD2  HIS  60           HD2      HIS  60   2.164   9.797  -0.436
  471    HE1  HIS  60           HE1      HIS  60   1.377  13.696   1.035
  472    HE2  HIS  60           HE2      HIS  60   3.061  12.208  -0.092
  473    H    ASP  61           H        ASP  61  -3.145   9.828   1.502
  474    HA   ASP  61           HA       ASP  61  -4.639   7.616   0.470
  475   1HB   ASP  61          1HB       ASP  61  -6.392   8.060   2.162
  476   2HB   ASP  61          2HB       ASP  61  -4.990   7.199   2.738
  477    H    SER  62           H        SER  62  -5.533   8.332  -1.092
  478    HA   SER  62           HA       SER  62  -6.538  11.066  -1.236
  479   1HB   SER  62          1HB       SER  62  -6.475   9.202  -3.571
  480   2HB   SER  62          2HB       SER  62  -6.466  10.958  -3.570
  481    HG   SER  62           HG       SER  62  -4.345   9.273  -2.726
  482    H    TYR  63           H        TYR  63  -8.666  11.410  -1.994
  483    HA   TYR  63           HA       TYR  63 -10.435   9.165  -1.700
  484   1HB   TYR  63          1HB       TYR  63 -10.368   9.736   0.505
  485   2HB   TYR  63          2HB       TYR  63 -10.291  11.459   0.202
  486    HD1  TYR  63           HD1      TYR  63 -12.251  12.748   0.327
  487    HD2  TYR  63           HD2      TYR  63 -12.562   8.515   0.003
  488    HE1  TYR  63           HE1      TYR  63 -14.667  12.899   0.756
  489    HE2  TYR  63           HE2      TYR  63 -14.980   8.655   0.431
  490    HH   TYR  63           HH       TYR  63 -16.546  10.279   1.603
  491    H    ASP  64           H        ASP  64 -11.103   9.300  -3.650
  492    HA   ASP  64           HA       ASP  64 -12.690  11.671  -4.343
  493   1HB   ASP  64          1HB       ASP  64 -11.499   9.531  -6.034
  494   2HB   ASP  64          2HB       ASP  64 -12.612  10.713  -6.618
  495    H    ARG  65           H        ARG  65 -14.570  11.183  -3.468
  496    HA   ARG  65           HA       ARG  65 -15.767   8.614  -3.526
  497   1HB   ARG  65          1HB       ARG  65 -16.223  10.961  -2.129
  498   2HB   ARG  65          2HB       ARG  65 -17.638  10.821  -3.174
  499   1HG   ARG  65          1HG       ARG  65 -16.592   8.720  -1.312
  500   2HG   ARG  65          2HG       ARG  65 -18.016   9.731  -1.039
  501   1HD   ARG  65          1HD       ARG  65 -17.891   8.221  -3.578
  502   2HD   ARG  65          2HD       ARG  65 -18.153   7.265  -2.107
  503    HE   ARG  65           HE       ARG  65 -20.049   9.010  -1.745
  504   1HH1  ARG  65          1HH1      ARG  65 -19.027   7.857  -4.885
  505   2HH1  ARG  65          2HH1      ARG  65 -20.635   7.861  -5.554
  506   1HH2  ARG  65          1HH2      ARG  65 -22.136   9.071  -2.610
  507   2HH2  ARG  65          2HH2      ARG  65 -22.403   8.587  -4.260
  508    H    ALA  66           H        ALA  66 -15.819  11.402  -5.520
  509    HA   ALA  66           HA       ALA  66 -18.004  10.864  -7.168
  510   1HB   ALA  66          1HB       ALA  66 -16.947  12.342  -8.788
  511   2HB   ALA  66          2HB       ALA  66 -15.417  12.224  -7.917
  512   3HB   ALA  66          3HB       ALA  66 -16.806  13.009  -7.163
  513    H    SER  67           H        SER  67 -14.783   9.628  -7.117
  514    HA   SER  67           HA       SER  67 -15.327   7.978  -9.471
  515   1HB   SER  67          1HB       SER  67 -13.207   9.345  -9.370
  516   2HB   SER  67          2HB       SER  67 -12.696   8.323  -8.027
  517    HG   SER  67           HG       SER  67 -13.418   7.335 -10.587
  518    H    LYS  68           H        LYS  68 -15.289   7.961  -6.117
  519    HA   LYS  68           HA       LYS  68 -15.616   6.369  -4.529
  520   1HB   LYS  68          1HB       LYS  68 -17.370   5.641  -6.136
  521   2HB   LYS  68          2HB       LYS  68 -16.191   4.566  -6.870
  522   1HG   LYS  68          1HG       LYS  68 -16.411   3.015  -5.256
  523   2HG   LYS  68          2HG       LYS  68 -16.539   4.219  -3.974
  524   1HD   LYS  68          1HD       LYS  68 -18.834   4.204  -5.766
  525   2HD   LYS  68          2HD       LYS  68 -18.590   2.665  -4.938
  526   1HE   LYS  68          1HE       LYS  68 -18.566   3.793  -2.773
  527   2HE   LYS  68          2HE       LYS  68 -18.740   5.357  -3.583
  528   1HZ   LYS  68          1HZ       LYS  68 -20.869   4.579  -2.749
  529   2HZ   LYS  68          2HZ       LYS  68 -20.731   3.149  -3.651
  530   3HZ   LYS  68          3HZ       LYS  68 -20.894   4.636  -4.446
  531    H    VAL  69           H        VAL  69 -13.020   6.878  -5.504
  532    HA   VAL  69           HA       VAL  69 -11.750   4.320  -4.869
  533    HB   VAL  69           HB       VAL  69 -10.325   6.378  -6.514
  534   1HG1  VAL  69          1HG1      VAL  69  -8.942   4.715  -5.502
  535   2HG1  VAL  69          2HG1      VAL  69  -9.001   4.420  -7.243
  536   3HG1  VAL  69          3HG1      VAL  69  -9.951   3.419  -6.142
  537   1HG2  VAL  69          1HG2      VAL  69 -10.886   5.107  -8.563
  538   2HG2  VAL  69          2HG2      VAL  69 -12.299   5.869  -7.836
  539   3HG2  VAL  69          3HG2      VAL  69 -12.027   4.141  -7.626
  540    H    TYR  70           H        TYR  70 -10.680   4.444  -3.102
  541    HA   TYR  70           HA       TYR  70  -9.450   6.932  -2.231
  542   1HB   TYR  70          1HB       TYR  70  -9.441   4.261  -0.857
  543   2HB   TYR  70          2HB       TYR  70  -8.760   5.727  -0.213
  544    HD1  TYR  70           HD1      TYR  70  -9.986   6.954   1.294
  545    HD2  TYR  70           HD2      TYR  70 -12.016   4.346  -1.362
  546    HE1  TYR  70           HE1      TYR  70 -12.114   7.468   2.423
  547    HE2  TYR  70           HE2      TYR  70 -14.146   4.840  -0.245
  548    HH   TYR  70           HH       TYR  70 -14.955   5.665   1.903
  549    H    LEU  71           H        LEU  71  -7.592   7.218  -3.126
  550    HA   LEU  71           HA       LEU  71  -5.977   4.879  -3.765
  551   1HB   LEU  71          1HB       LEU  71  -6.025   6.310  -5.695
  552   2HB   LEU  71          2HB       LEU  71  -5.552   7.709  -4.723
  553    HG   LEU  71           HG       LEU  71  -3.473   6.339  -4.090
  554   1HD1  LEU  71          1HD1      LEU  71  -2.741   4.687  -5.723
  555   2HD1  LEU  71          2HD1      LEU  71  -4.312   4.790  -6.521
  556   3HD1  LEU  71          3HD1      LEU  71  -4.200   4.189  -4.866
  557   1HD2  LEU  71          1HD2      LEU  71  -3.401   8.294  -5.553
  558   2HD2  LEU  71          2HD2      LEU  71  -3.659   7.238  -6.944
  559   3HD2  LEU  71          3HD2      LEU  71  -2.198   7.065  -5.955
  560    H    PHE  72           H        PHE  72  -5.027   4.330  -2.079
  561    HA   PHE  72           HA       PHE  72  -3.554   6.161  -0.444
  562   1HB   PHE  72          1HB       PHE  72  -3.733   3.192  -0.574
  563   2HB   PHE  72          2HB       PHE  72  -2.701   4.017   0.576
  564    HD1  PHE  72           HD1      PHE  72  -6.218   3.579  -0.494
  565    HD2  PHE  72           HD2      PHE  72  -3.581   4.794   2.619
  566    HE1  PHE  72           HE1      PHE  72  -8.121   3.721   1.058
  567    HE2  PHE  72           HE2      PHE  72  -5.478   4.935   4.174
  568    HZ   PHE  72           HZ       PHE  72  -7.731   4.447   3.418
  569    H    GLU  73           H        GLU  73  -1.830   6.913  -1.124
  570    HA   GLU  73           HA       GLU  73  -0.242   5.549  -3.170
  571   1HB   GLU  73          1HB       GLU  73   0.573   8.262  -2.968
  572   2HB   GLU  73          2HB       GLU  73  -0.133   7.431  -4.341
  573   1HG   GLU  73          1HG       GLU  73  -2.338   8.061  -3.655
  574   2HG   GLU  73          2HG       GLU  73  -1.730   8.698  -2.126
  575    H    LEU  74           H        LEU  74   1.480   4.692  -2.393
  576    HA   LEU  74           HA       LEU  74   2.880   5.762  -0.142
  577   1HB   LEU  74          1HB       LEU  74   3.839   3.708  -2.113
  578   2HB   LEU  74          2HB       LEU  74   4.522   4.043  -0.544
  579    HG   LEU  74           HG       LEU  74   1.938   2.737  -1.176
  580   1HD1  LEU  74          1HD1      LEU  74   4.240   1.891   0.541
  581   2HD1  LEU  74          2HD1      LEU  74   3.895   1.301  -1.087
  582   3HD1  LEU  74          3HD1      LEU  74   2.772   0.964   0.227
  583   1HD2  LEU  74          1HD2      LEU  74   1.521   4.427   0.458
  584   2HD2  LEU  74          2HD2      LEU  74   2.896   3.841   1.421
  585   3HD2  LEU  74          3HD2      LEU  74   1.459   2.822   1.204
  586    H    HIS  75           H        HIS  75   4.163   7.311  -0.329
  587    HA   HIS  75           HA       HIS  75   5.847   7.420  -2.724
  588   1HB   HIS  75          1HB       HIS  75   5.173   9.645  -0.761
  589   2HB   HIS  75          2HB       HIS  75   6.473   9.751  -1.945
  590    HD1  HIS  75           HD1      HIS  75   4.427  11.883  -2.208
  591    HD2  HIS  75           HD2      HIS  75   3.966   8.166  -4.027
  592    HE1  HIS  75           HE1      HIS  75   2.803  12.243  -4.100
  593    HE2  HIS  75           HE2      HIS  75   2.660  10.015  -5.274
  594    H    ILE  76           H        ILE  76   7.072   5.827  -2.006
  595    HA   ILE  76           HA       ILE  76   8.471   6.340   0.510
  596    HB   ILE  76           HB       ILE  76   8.099   3.734  -0.891
  597   1HG1  ILE  76          1HG1      ILE  76   6.574   4.953   1.433
  598   2HG1  ILE  76          2HG1      ILE  76   5.903   4.463  -0.147
  599   1HG2  ILE  76          1HG2      ILE  76   9.165   4.389   1.841
  600   2HG2  ILE  76          2HG2      ILE  76  10.092   3.794   0.460
  601   3HG2  ILE  76          3HG2      ILE  76   8.887   2.757   1.226
  602   1HD1  ILE  76          1HD1      ILE  76   6.410   2.129   0.397
  603   2HD1  ILE  76          2HD1      ILE  76   5.272   2.885   1.523
  604   3HD1  ILE  76          3HD1      ILE  76   6.961   2.638   1.994
  605    H    THR  77           H        THR  77  10.162   7.332  -0.108
  606    HA   THR  77           HA       THR  77  11.639   6.513  -2.405
  607    HB   THR  77           HB       THR  77  12.733   8.695  -2.254
  608    HG1  THR  77           HG1      THR  77  12.655   9.513  -0.283
  609   1HG2  THR  77          1HG2      THR  77  10.875   9.981  -3.033
  610   2HG2  THR  77          2HG2      THR  77   9.747   8.942  -2.160
  611   3HG2  THR  77          3HG2      THR  77  10.650   8.303  -3.536
  612    H    ASP  78           H        ASP  78  13.762   6.847  -2.252
  613    HA   ASP  78           HA       ASP  78  15.780   5.959  -1.679
  614   1HB   ASP  78          1HB       ASP  78  15.214   7.528   0.781
  615   2HB   ASP  78          2HB       ASP  78  16.770   7.053   0.122
  616    H    ALA  79           H        ALA  79  14.627   4.000  -1.458
  617    HA   ALA  79           HA       ALA  79  13.816   2.835   0.943
  618   1HB   ALA  79          1HB       ALA  79  14.797   1.510  -1.577
  619   2HB   ALA  79          2HB       ALA  79  13.130   1.965  -1.217
  620   3HB   ALA  79          3HB       ALA  79  13.925   0.708  -0.269
  621    H    GLN  80           H        GLN  80  15.011   2.425   2.634
  622    HA   GLN  80           HA       GLN  80  17.746   2.051   2.866
  623   1HB   GLN  80          1HB       GLN  80  16.557   2.319   4.872
  624   2HB   GLN  80          2HB       GLN  80  15.335   1.143   4.415
  625   1HG   GLN  80          1HG       GLN  80  16.397  -0.115   5.926
  626   2HG   GLN  80          2HG       GLN  80  17.430  -0.483   4.545
  627   1HE2  GLN  80          1HE2      GLN  80  18.635   2.243   4.641
  628   2HE2  GLN  80          2HE2      GLN  80  19.750   2.189   5.957
  629    HA   PRO  81           HA       PRO  81  18.485  -1.713   0.670
  630   1HB   PRO  81          1HB       PRO  81  20.616  -2.335   2.612
  631   2HB   PRO  81          2HB       PRO  81  20.728  -2.052   0.871
  632   1HG   PRO  81          1HG       PRO  81  21.618  -0.259   2.670
  633   2HG   PRO  81          2HG       PRO  81  20.912   0.226   1.120
  634   1HD   PRO  81          1HD       PRO  81  19.702   0.259   3.846
  635   2HD   PRO  81          2HD       PRO  81  19.515   1.417   2.515
  636    H    ALA  82           H        ALA  82  17.652  -1.637   3.951
  637    HA   ALA  82           HA       ALA  82  17.402  -4.539   4.132
  638   1HB   ALA  82          1HB       ALA  82  16.961  -2.426   6.236
  639   2HB   ALA  82          2HB       ALA  82  18.425  -3.389   6.036
  640   3HB   ALA  82          3HB       ALA  82  16.913  -4.172   6.493
  641    H    PHE  83           H        PHE  83  15.645  -2.334   2.645
  642    HA   PHE  83           HA       PHE  83  13.108  -2.995   3.895
  643   1HB   PHE  83          1HB       PHE  83  14.034  -0.942   1.954
  644   2HB   PHE  83          2HB       PHE  83  12.355  -1.412   1.932
  645    HD1  PHE  83           HD1      PHE  83  12.859  -1.894   5.145
  646    HD2  PHE  83           HD2      PHE  83  12.999   1.392   2.429
  647    HE1  PHE  83           HE1      PHE  83  12.392  -0.346   6.996
  648    HE2  PHE  83           HE2      PHE  83  12.525   2.939   4.275
  649    HZ   PHE  83           HZ       PHE  83  12.293   2.216   6.450
  650    H    THR  84           H        THR  84  15.071  -4.056   1.378
  651    HA   THR  84           HA       THR  84  13.507  -4.994  -0.573
  652    HB   THR  84           HB       THR  84  15.748  -6.498   0.772
  653    HG1  THR  84           HG1      THR  84  16.990  -5.587  -0.738
  654   1HG2  THR  84          1HG2      THR  84  14.484  -7.156  -1.879
  655   2HG2  THR  84          2HG2      THR  84  13.967  -7.910  -0.370
  656   3HG2  THR  84          3HG2      THR  84  15.631  -8.126  -0.948
  657    H    GLY  85           H        GLY  85  11.683  -5.533  -0.172
  658   1HA   GLY  85          1HA       GLY  85  11.146  -8.151   0.882
  659   2HA   GLY  85          2HA       GLY  85  10.661  -6.909   2.016
  660    H    GLY  86           H        GLY  86   8.619  -6.589   1.960
  661   1HA   GLY  86          1HA       GLY  86   7.222  -6.392  -0.525
  662   2HA   GLY  86          2HA       GLY  86   6.866  -7.850   0.368
  663    H    TYR  87           H        TYR  87   5.957  -4.897  -0.273
  664    HA   TYR  87           HA       TYR  87   4.740  -4.087   2.219
  665   1HB   TYR  87          1HB       TYR  87   4.453  -3.088  -0.636
  666   2HB   TYR  87          2HB       TYR  87   3.800  -2.294   0.792
  667    HD1  TYR  87           HD1      TYR  87   7.101  -3.671  -0.291
  668    HD2  TYR  87           HD2      TYR  87   5.044  -0.397   1.494
  669    HE1  TYR  87           HE1      TYR  87   9.212  -2.446  -0.051
  670    HE2  TYR  87           HE2      TYR  87   7.147   0.807   1.739
  671    HH   TYR  87           HH       TYR  87   9.536   0.344   1.857
  672    H    ARG  88           H        ARG  88   2.790  -4.897   2.884
  673    HA   ARG  88           HA       ARG  88   1.258  -6.460   0.916
  674   1HB   ARG  88          1HB       ARG  88   2.126  -7.951   2.552
  675   2HB   ARG  88          2HB       ARG  88   1.718  -6.861   3.868
  676   1HG   ARG  88          1HG       ARG  88  -0.646  -7.291   3.532
  677   2HG   ARG  88          2HG       ARG  88  -0.278  -8.341   2.159
  678   1HD   ARG  88          1HD       ARG  88   0.862  -9.897   3.580
  679   2HD   ARG  88          2HD       ARG  88   0.750  -8.798   4.953
  680    HE   ARG  88           HE       ARG  88  -1.843  -9.227   4.295
  681   1HH1  ARG  88          1HH1      ARG  88   0.844 -11.412   4.848
  682   2HH1  ARG  88          2HH1      ARG  88  -0.147 -12.641   5.585
  683   1HH2  ARG  88          1HH2      ARG  88  -3.145 -10.824   5.227
  684   2HH2  ARG  88          2HH2      ARG  88  -2.424 -12.320   5.764
  685    H    CYS  89           H        CYS  89  -0.352  -5.187   0.259
  686    HA   CYS  89           HA       CYS  89  -1.702  -3.483   2.195
  687   1HB   CYS  89          1HB       CYS  89  -1.047  -2.926  -0.316
  688   2HB   CYS  89          2HB       CYS  89  -2.610  -3.669  -0.632
  689    HG   CYS  89           HG       CYS  89  -1.919  -0.806   1.066
  690    H    GLU  90           H        GLU  90  -3.603  -3.933   3.016
  691    HA   GLU  90           HA       GLU  90  -5.160  -6.159   1.930
  692   1HB   GLU  90          1HB       GLU  90  -3.511  -6.947   3.676
  693   2HB   GLU  90          2HB       GLU  90  -4.369  -5.952   4.840
  694   1HG   GLU  90          1HG       GLU  90  -6.369  -7.269   4.539
  695   2HG   GLU  90          2HG       GLU  90  -5.590  -8.207   3.264
  696    H    VAL  91           H        VAL  91  -7.028  -5.125   1.510
  697    HA   VAL  91           HA       VAL  91  -7.952  -3.119   3.412
  698    HB   VAL  91           HB       VAL  91  -8.031  -2.370   1.149
  699   1HG1  VAL  91          1HG1      VAL  91  -9.770  -4.756   0.572
  700   2HG1  VAL  91          2HG1      VAL  91  -8.130  -4.484  -0.015
  701   3HG1  VAL  91          3HG1      VAL  91  -9.442  -3.439  -0.553
  702   1HG2  VAL  91          1HG2      VAL  91  -9.764  -1.452   2.459
  703   2HG2  VAL  91          2HG2      VAL  91 -10.731  -2.920   2.348
  704   3HG2  VAL  91          3HG2      VAL  91 -10.513  -1.903   0.927
  705    H    SER  92           H        SER  92  -9.744  -3.243   4.518
  706    HA   SER  92           HA       SER  92 -11.312  -5.714   4.421
  707   1HB   SER  92          1HB       SER  92  -9.580  -5.935   6.204
  708   2HB   SER  92          2HB       SER  92 -10.197  -4.468   6.957
  709    HG   SER  92           HG       SER  92 -10.971  -6.672   7.698
  710    H    THR  93           H        THR  93 -13.224  -4.993   3.890
  711    HA   THR  93           HA       THR  93 -14.294  -2.616   5.262
  712    HB   THR  93           HB       THR  93 -15.036  -3.354   2.468
  713    HG1  THR  93           HG1      THR  93 -12.668  -3.003   2.820
  714   1HG2  THR  93          1HG2      THR  93 -15.477  -0.936   2.301
  715   2HG2  THR  93          2HG2      THR  93 -14.997  -0.754   3.987
  716   3HG2  THR  93          3HG2      THR  93 -16.429  -1.702   3.572
  717    H    LYS  94           H        LYS  94 -16.743  -2.640   5.075
  718    HA   LYS  94           HA       LYS  94 -18.290  -3.988   6.394
  719   1HB   LYS  94          1HB       LYS  94 -19.755  -4.733   4.253
  720   2HB   LYS  94          2HB       LYS  94 -19.702  -3.113   4.915
  721   1HG   LYS  94          1HG       LYS  94 -19.456  -2.783   2.634
  722   2HG   LYS  94          2HG       LYS  94 -17.813  -2.678   3.248
  723   1HD   LYS  94          1HD       LYS  94 -18.046  -3.963   1.129
  724   2HD   LYS  94          2HD       LYS  94 -17.294  -4.863   2.443
  725   1HE   LYS  94          1HE       LYS  94 -18.974  -6.138   1.081
  726   2HE   LYS  94          2HE       LYS  94 -19.241  -6.134   2.819
  727   1HZ   LYS  94          1HZ       LYS  94 -20.954  -4.466   2.569
  728   2HZ   LYS  94          2HZ       LYS  94 -21.304  -5.794   1.576
  729   3HZ   LYS  94          3HZ       LYS  94 -20.678  -4.373   0.899
  730    H    ASP  95           H        ASP  95 -17.535  -5.812   3.511
  731    HA   ASP  95           HA       ASP  95 -17.176  -8.208   5.012
  732   1HB   ASP  95          1HB       ASP  95 -19.659  -7.698   4.076
  733   2HB   ASP  95          2HB       ASP  95 -18.964  -8.530   2.694
  734    H    LYS  96           H        LYS  96 -16.276  -6.158   2.526
  735    HA   LYS  96           HA       LYS  96 -15.546  -8.264   0.694
  736   1HB   LYS  96          1HB       LYS  96 -16.082  -5.453   0.247
  737   2HB   LYS  96          2HB       LYS  96 -14.469  -5.843  -0.274
  738   1HG   LYS  96          1HG       LYS  96 -16.892  -7.395  -1.102
  739   2HG   LYS  96          2HG       LYS  96 -16.250  -6.029  -2.009
  740   1HD   LYS  96          1HD       LYS  96 -14.059  -7.252  -2.108
  741   2HD   LYS  96          2HD       LYS  96 -14.885  -8.649  -1.421
  742   1HE   LYS  96          1HE       LYS  96 -15.669  -7.268  -3.978
  743   2HE   LYS  96          2HE       LYS  96 -14.685  -8.726  -3.895
  744   1HZ   LYS  96          1HZ       LYS  96 -17.465  -8.473  -2.880
  745   2HZ   LYS  96          2HZ       LYS  96 -16.531  -9.891  -2.878
  746   3HZ   LYS  96          3HZ       LYS  96 -17.022  -9.198  -4.350
  747    H    PHE  97           H        PHE  97 -13.660  -9.080   0.737
  748    HA   PHE  97           HA       PHE  97 -11.463  -7.655   2.046
  749   1HB   PHE  97          1HB       PHE  97 -12.576  -9.402   3.470
  750   2HB   PHE  97          2HB       PHE  97 -11.977 -10.610   2.346
  751    HD1  PHE  97           HD1      PHE  97 -11.162  -8.373   5.075
  752    HD2  PHE  97           HD2      PHE  97  -9.556 -11.012   2.150
  753    HE1  PHE  97           HE1      PHE  97  -9.049  -8.470   6.330
  754    HE2  PHE  97           HE2      PHE  97  -7.439 -11.116   3.400
  755    HZ   PHE  97           HZ       PHE  97  -7.186  -9.839   5.489
  756    H    ASP  98           H        ASP  98  -9.577  -7.745   1.109
  757    HA   ASP  98           HA       ASP  98  -8.729  -9.871  -0.613
  758   1HB   ASP  98          1HB       ASP  98 -10.204  -8.249  -2.050
  759   2HB   ASP  98          2HB       ASP  98  -8.794  -7.199  -1.987
  760    H    CYS  99           H        CYS  99  -6.460  -9.445  -1.381
  761    HA   CYS  99           HA       CYS  99  -5.030  -7.345  -0.009
  762   1HB   CYS  99          1HB       CYS  99  -3.489  -9.064   1.106
  763   2HB   CYS  99          2HB       CYS  99  -5.053  -8.774   1.851
  764    HG   CYS  99           HG       CYS  99  -4.900 -11.413   2.159
  765    H    SER 100           H        SER 100  -2.954  -7.018  -0.769
  766    HA   SER 100           HA       SER 100  -2.244  -8.608  -3.148
  767   1HB   SER 100          1HB       SER 100  -1.533  -6.430  -4.206
  768   2HB   SER 100          2HB       SER 100  -3.263  -6.572  -3.926
  769    HG   SER 100           HG       SER 100  -1.400  -4.893  -2.747
  770    H    ASN 101           H        ASN 101  -0.128  -9.107  -3.407
  771    HA   ASN 101           HA       ASN 101   1.751  -8.023  -1.438
  772   1HB   ASN 101          1HB       ASN 101   3.195 -10.020  -2.130
  773   2HB   ASN 101          2HB       ASN 101   1.771 -10.348  -1.161
  774   1HD2  ASN 101          1HD2      ASN 101   1.728  -9.688  -4.634
  775   2HD2  ASN 101          2HD2      ASN 101   1.233 -11.287  -5.093
  776    H    PHE 102           H        PHE 102   3.290  -6.690  -2.060
  777    HA   PHE 102           HA       PHE 102   4.244  -6.771  -4.812
  778   1HB   PHE 102          1HB       PHE 102   4.186  -4.122  -4.585
  779   2HB   PHE 102          2HB       PHE 102   2.838  -5.030  -5.245
  780    HD1  PHE 102           HD1      PHE 102   3.867  -2.671  -2.832
  781    HD2  PHE 102           HD2      PHE 102   0.959  -5.667  -3.580
  782    HE1  PHE 102           HE1      PHE 102   2.406  -1.667  -1.145
  783    HE2  PHE 102           HE2      PHE 102  -0.519  -4.664  -1.898
  784    HZ   PHE 102           HZ       PHE 102   0.157  -2.673  -0.711
  785    H    ASN 103           H        ASN 103   6.359  -6.838  -4.791
  786    HA   ASN 103           HA       ASN 103   7.665  -6.546  -2.248
  787   1HB   ASN 103          1HB       ASN 103   8.618  -7.859  -4.787
  788   2HB   ASN 103          2HB       ASN 103   9.329  -8.007  -3.204
  789   1HD2  ASN 103          1HD2      ASN 103   8.224 -10.003  -5.074
  790   2HD2  ASN 103          2HD2      ASN 103   7.069 -10.885  -4.146
  791    H    LEU 104           H        LEU 104   9.605  -5.524  -2.070
  792    HA   LEU 104           HA       LEU 104  10.404  -3.839  -4.326
  793   1HB   LEU 104          1HB       LEU 104   9.774  -2.123  -2.992
  794   2HB   LEU 104          2HB       LEU 104   9.939  -3.035  -1.506
  795    HG   LEU 104           HG       LEU 104  12.470  -2.633  -2.665
  796   1HD1  LEU 104          1HD1      LEU 104  12.602  -0.204  -2.673
  797   2HD1  LEU 104          2HD1      LEU 104  10.859  -0.120  -2.416
  798   3HD1  LEU 104          3HD1      LEU 104  11.500  -0.811  -3.914
  799   1HD2  LEU 104          1HD2      LEU 104  12.905  -1.431  -0.570
  800   2HD2  LEU 104          2HD2      LEU 104  12.112  -2.991  -0.316
  801   3HD2  LEU 104          3HD2      LEU 104  11.179  -1.494  -0.213
  802    H    THR 105           H        THR 105  12.307  -4.409  -5.026
  803    HA   THR 105           HA       THR 105  14.168  -5.632  -3.106
  804    HB   THR 105           HB       THR 105  14.593  -5.511  -6.077
  805    HG1  THR 105           HG1      THR 105  12.629  -6.814  -4.806
  806   1HG2  THR 105          1HG2      THR 105  15.932  -7.551  -5.605
  807   2HG2  THR 105          2HG2      THR 105  15.591  -7.339  -3.887
  808   3HG2  THR 105          3HG2      THR 105  16.524  -6.123  -4.758
  809    H    VAL 106           H        VAL 106  15.000  -3.878  -2.109
  810    HA   VAL 106           HA       VAL 106  16.006  -1.648  -3.574
  811    HB   VAL 106           HB       VAL 106  15.204  -1.165  -1.353
  812   1HG1  VAL 106          1HG1      VAL 106  15.464  -3.311  -0.375
  813   2HG1  VAL 106          2HG1      VAL 106  16.200  -2.057   0.634
  814   3HG1  VAL 106          3HG1      VAL 106  17.220  -3.110  -0.351
  815   1HG2  VAL 106          1HG2      VAL 106  16.987   0.240  -2.097
  816   2HG2  VAL 106          2HG2      VAL 106  18.187  -0.938  -1.564
  817   3HG2  VAL 106          3HG2      VAL 106  17.201  -0.091  -0.375
  818    H    HIS 107           H        HIS 107  17.690  -1.638  -4.520
  819    HA   HIS 107           HA       HIS 107  19.655  -3.739  -4.391
  820   1HB   HIS 107          1HB       HIS 107  19.233  -1.484  -6.363
  821   2HB   HIS 107          2HB       HIS 107  20.571  -2.615  -6.459
  822    HD1  HIS 107           HD1      HIS 107  18.874  -2.529  -8.859
  823    HD2  HIS 107           HD2      HIS 107  17.915  -4.954  -5.607
  824    HE1  HIS 107           HE1      HIS 107  17.391  -4.344  -9.777
  825    HE2  HIS 107           HE2      HIS 107  16.855  -5.831  -7.818
  826    H    GLU 108           H        GLU 108  20.900  -3.399  -2.804
  827    HA   GLU 108           HA       GLU 108  21.758  -1.074  -1.629
  828   1HB   GLU 108          1HB       GLU 108  22.104  -3.409  -0.779
  829   2HB   GLU 108          2HB       GLU 108  23.464  -3.542  -1.889
  830   1HG   GLU 108          1HG       GLU 108  24.552  -1.655  -0.770
  831   2HG   GLU 108          2HG       GLU 108  23.192  -1.549   0.349
  832    H    ALA 109           H        ALA 109  23.660  -2.948  -4.003
  833    HA   ALA 109           HA       ALA 109  24.508  -0.545  -5.325
  834   1HB   ALA 109          1HB       ALA 109  26.639  -2.160  -3.927
  835   2HB   ALA 109          2HB       ALA 109  26.026  -0.610  -3.351
  836   3HB   ALA 109          3HB       ALA 109  26.867  -0.704  -4.899
  837    H    MET 110           H        MET 110  25.008  -0.959  -7.409
  838    HA   MET 110           HA       MET 110  25.896  -3.628  -8.189
  839   1HB   MET 110          1HB       MET 110  23.420  -3.699  -8.344
  840   2HB   MET 110          2HB       MET 110  23.462  -2.310  -9.419
  841   1HG   MET 110          1HG       MET 110  23.175  -4.312 -10.708
  842   2HG   MET 110          2HG       MET 110  24.764  -3.628 -11.037
  843   1HE   MET 110          1HE       MET 110  25.474  -7.444 -11.364
  844   2HE   MET 110          2HE       MET 110  25.540  -5.864 -12.145
  845   3HE   MET 110          3HE       MET 110  23.981  -6.628 -11.827
  Start of MODEL   19
    1    H    ASP   1           H        ASP   1 -17.868 -13.055   0.503
    2    HA   ASP   1           HA       ASP   1 -16.972 -10.228   0.503
    3   1HB   ASP   1          1HB       ASP   1 -15.388 -12.082  -0.354
    4   2HB   ASP   1          2HB       ASP   1 -16.557 -12.233  -1.645
    5    H    ASP   2           H        ASP   2 -17.984  -8.941  -1.023
    6    HA   ASP   2           HA       ASP   2 -20.269  -9.988  -2.511
    7   1HB   ASP   2          1HB       ASP   2 -19.970  -7.738  -0.598
    8   2HB   ASP   2          2HB       ASP   2 -21.001  -7.491  -1.981
    9    HA   PRO   3           HA       PRO   3 -18.516  -7.444  -5.771
   10   1HB   PRO   3          1HB       PRO   3 -21.009  -6.309  -6.675
   11   2HB   PRO   3          2HB       PRO   3 -20.055  -7.606  -7.396
   12   1HG   PRO   3          1HG       PRO   3 -22.511  -7.982  -6.236
   13   2HG   PRO   3          2HG       PRO   3 -21.277  -9.245  -6.375
   14   1HD   PRO   3          1HD       PRO   3 -21.995  -7.544  -4.020
   15   2HD   PRO   3          2HD       PRO   3 -21.556  -9.266  -4.079
   16    H    ILE   4           H        ILE   4 -17.686  -6.072  -3.954
   17    HA   ILE   4           HA       ILE   4 -18.694  -3.297  -3.971
   18    HB   ILE   4           HB       ILE   4 -16.598  -4.814  -2.441
   19   1HG1  ILE   4          1HG1      ILE   4 -17.735  -3.763  -0.505
   20   2HG1  ILE   4          2HG1      ILE   4 -18.810  -2.912  -1.609
   21   1HG2  ILE   4          1HG2      ILE   4 -16.610  -1.819  -2.778
   22   2HG2  ILE   4          2HG2      ILE   4 -15.277  -2.951  -3.043
   23   3HG2  ILE   4          3HG2      ILE   4 -15.859  -2.631  -1.406
   24   1HD1  ILE   4          1HD1      ILE   4 -19.717  -5.010  -2.383
   25   2HD1  ILE   4          2HD1      ILE   4 -19.849  -4.899  -0.626
   26   3HD1  ILE   4          3HD1      ILE   4 -18.587  -5.895  -1.357
   27    H    GLY   5           H        GLY   5 -15.595  -4.919  -4.369
   28   1HA   GLY   5          1HA       GLY   5 -14.275  -4.780  -6.404
   29   2HA   GLY   5          2HA       GLY   5 -15.064  -3.245  -6.733
   30    H    LEU   6           H        LEU   6 -14.040  -4.247  -3.669
   31    HA   LEU   6           HA       LEU   6 -12.823  -2.100  -2.661
   32   1HB   LEU   6          1HB       LEU   6 -13.104  -4.757  -2.026
   33   2HB   LEU   6          2HB       LEU   6 -11.367  -4.558  -2.090
   34    HG   LEU   6           HG       LEU   6 -11.421  -2.913  -0.363
   35   1HD1  LEU   6          1HD1      LEU   6 -13.390  -2.045   0.626
   36   2HD1  LEU   6          2HD1      LEU   6 -14.409  -3.171  -0.264
   37   3HD1  LEU   6          3HD1      LEU   6 -13.590  -1.861  -1.118
   38   1HD2  LEU   6          1HD2      LEU   6 -12.295  -4.242   1.444
   39   2HD2  LEU   6          2HD2      LEU   6 -11.484  -5.261   0.256
   40   3HD2  LEU   6          3HD2      LEU   6 -13.248  -5.187   0.299
   41    H    PHE   7           H        PHE   7 -11.301  -4.570  -4.640
   42    HA   PHE   7           HA       PHE   7  -8.823  -3.074  -4.669
   43   1HB   PHE   7          1HB       PHE   7  -9.534  -5.809  -4.791
   44   2HB   PHE   7          2HB       PHE   7  -8.719  -5.405  -6.310
   45    HD1  PHE   7           HD1      PHE   7  -8.103  -3.861  -3.013
   46    HD2  PHE   7           HD2      PHE   7  -6.671  -6.531  -6.001
   47    HE1  PHE   7           HE1      PHE   7  -5.953  -3.997  -1.847
   48    HE2  PHE   7           HE2      PHE   7  -4.510  -6.670  -4.837
   49    HZ   PHE   7           HZ       PHE   7  -4.156  -5.412  -2.758
   50    H    VAL   8           H        VAL   8  -9.602  -1.348  -5.803
   51    HA   VAL   8           HA       VAL   8 -10.659  -1.587  -8.458
   52    HB   VAL   8           HB       VAL   8  -9.410   0.861  -7.206
   53   1HG1  VAL   8          1HG1      VAL   8  -9.889   1.009  -9.592
   54   2HG1  VAL   8          2HG1      VAL   8 -10.932   2.081  -8.658
   55   3HG1  VAL   8          3HG1      VAL   8 -11.568   0.562  -9.289
   56   1HG2  VAL   8          1HG2      VAL   8 -11.035  -0.066  -5.628
   57   2HG2  VAL   8          2HG2      VAL   8 -12.253  -0.117  -6.903
   58   3HG2  VAL   8          3HG2      VAL   8 -11.632   1.436  -6.344
   59    H    MET   9           H        MET   9  -7.551  -1.067  -6.963
   60    HA   MET   9           HA       MET   9  -6.174  -2.203  -9.165
   61   1HB   MET   9          1HB       MET   9  -6.455   0.092 -10.060
   62   2HB   MET   9          2HB       MET   9  -5.613   0.714  -8.647
   63   1HG   MET   9          1HG       MET   9  -4.097   0.583 -10.514
   64   2HG   MET   9          2HG       MET   9  -3.637  -0.571  -9.261
   65   1HE   MET   9          1HE       MET   9  -5.774  -1.759 -13.174
   66   2HE   MET   9          2HE       MET   9  -5.314  -0.105 -12.777
   67   3HE   MET   9          3HE       MET   9  -6.585  -0.908 -11.857
   68    H    ARG  10           H        ARG  10  -4.253  -2.999  -8.517
   69    HA   ARG  10           HA       ARG  10  -3.542  -2.555  -5.710
   70   1HB   ARG  10          1HB       ARG  10  -2.481  -4.775  -5.849
   71   2HB   ARG  10          2HB       ARG  10  -4.183  -4.855  -6.281
   72   1HG   ARG  10          1HG       ARG  10  -3.582  -4.884  -8.646
   73   2HG   ARG  10          2HG       ARG  10  -1.874  -4.798  -8.217
   74   1HD   ARG  10          1HD       ARG  10  -2.199  -6.936  -6.936
   75   2HD   ARG  10          2HD       ARG  10  -3.805  -7.040  -7.657
   76    HE   ARG  10           HE       ARG  10  -2.202  -6.726  -9.809
   77   1HH1  ARG  10          1HH1      ARG  10  -2.295  -9.020  -7.158
   78   2HH1  ARG  10          2HH1      ARG  10  -1.415 -10.246  -8.024
   79   1HH2  ARG  10          1HH2      ARG  10  -1.035  -8.313 -10.933
   80   2HH2  ARG  10          2HH2      ARG  10  -0.663  -9.829 -10.169
   81    HA   PRO  11           HA       PRO  11   0.357  -1.008  -7.222
   82   1HB   PRO  11          1HB       PRO  11   1.804  -1.317  -4.888
   83   2HB   PRO  11          2HB       PRO  11   0.795   0.069  -5.279
   84   1HG   PRO  11          1HG       PRO  11   0.372  -1.992  -3.320
   85   2HG   PRO  11          2HG       PRO  11  -0.522  -0.483  -3.562
   86   1HD   PRO  11          1HD       PRO  11  -1.294  -3.173  -4.295
   87   2HD   PRO  11          2HD       PRO  11  -2.234  -1.676  -4.424
   88    H    GLN  12           H        GLN  12   2.639  -1.721  -7.408
   89    HA   GLN  12           HA       GLN  12   2.790  -4.646  -7.462
   90   1HB   GLN  12          1HB       GLN  12   3.643  -2.649  -9.556
   91   2HB   GLN  12          2HB       GLN  12   3.990  -4.370  -9.619
   92   1HG   GLN  12          1HG       GLN  12   1.214  -3.251  -9.424
   93   2HG   GLN  12          2HG       GLN  12   2.003  -3.619 -10.958
   94   1HE2  GLN  12          1HE2      GLN  12   0.743  -4.999  -7.961
   95   2HE2  GLN  12          2HE2      GLN  12   0.594  -6.615  -8.571
   96    H    ASP  13           H        ASP  13   5.277  -5.154  -8.126
   97    HA   ASP  13           HA       ASP  13   6.667  -4.609  -5.808
   98   1HB   ASP  13          1HB       ASP  13   7.671  -5.777  -8.408
   99   2HB   ASP  13          2HB       ASP  13   8.267  -6.082  -6.795
  100    H    GLY  14           H        GLY  14   9.129  -4.659  -7.355
  101   1HA   GLY  14          1HA       GLY  14   9.897  -2.661  -8.886
  102   2HA   GLY  14          2HA       GLY  14   9.588  -1.798  -7.395
  103    H    GLU  15           H        GLU  15  11.900  -2.744  -9.096
  104    HA   GLU  15           HA       GLU  15  13.628  -3.630  -6.892
  105   1HB   GLU  15          1HB       GLU  15  14.074  -3.814  -9.880
  106   2HB   GLU  15          2HB       GLU  15  15.239  -4.292  -8.655
  107   1HG   GLU  15          1HG       GLU  15  13.483  -5.931  -7.840
  108   2HG   GLU  15          2HG       GLU  15  12.612  -5.565  -9.328
  109    H    VAL  16           H        VAL  16  14.818  -1.986  -6.052
  110    HA   VAL  16           HA       VAL  16  15.456   0.243  -7.741
  111    HB   VAL  16           HB       VAL  16  14.606   1.799  -6.251
  112   1HG1  VAL  16          1HG1      VAL  16  12.240   1.303  -5.973
  113   2HG1  VAL  16          2HG1      VAL  16  12.574  -0.404  -6.270
  114   3HG1  VAL  16          3HG1      VAL  16  12.838   0.783  -7.549
  115   1HG2  VAL  16          1HG2      VAL  16  13.724   1.317  -4.010
  116   2HG2  VAL  16          2HG2      VAL  16  15.424   0.880  -4.166
  117   3HG2  VAL  16          3HG2      VAL  16  14.183  -0.373  -4.218
  118    H    THR  17           H        THR  17  17.015   1.512  -6.687
  119    HA   THR  17           HA       THR  17  19.009  -0.063  -5.269
  120    HB   THR  17           HB       THR  17  19.627   2.715  -6.047
  121    HG1  THR  17           HG1      THR  17  19.272   0.706  -8.053
  122   1HG2  THR  17          1HG2      THR  17  21.385   1.262  -5.254
  123   2HG2  THR  17          2HG2      THR  17  21.668   1.642  -6.953
  124   3HG2  THR  17          3HG2      THR  17  21.007   0.072  -6.500
  125    H    VAL  18           H        VAL  18  19.955   0.791  -3.316
  126    HA   VAL  18           HA       VAL  18  18.206   2.217  -1.617
  127    HB   VAL  18           HB       VAL  18  21.123   2.063  -1.112
  128   1HG1  VAL  18          1HG1      VAL  18  18.772   2.037   0.743
  129   2HG1  VAL  18          2HG1      VAL  18  19.781   3.435   0.372
  130   3HG1  VAL  18          3HG1      VAL  18  20.469   2.051   1.226
  131   1HG2  VAL  18          1HG2      VAL  18  20.921  -0.100  -0.082
  132   2HG2  VAL  18          2HG2      VAL  18  20.302  -0.207  -1.736
  133   3HG2  VAL  18          3HG2      VAL  18  19.183  -0.109  -0.380
  134    H    GLY  19           H        GLY  19  17.795   4.033  -2.189
  135   1HA   GLY  19          1HA       GLY  19  18.527   6.377  -1.689
  136   2HA   GLY  19          2HA       GLY  19  19.898   6.012  -2.727
  137    H    GLY  20           H        GLY  20  17.068   4.549  -3.962
  138   1HA   GLY  20          1HA       GLY  20  16.640   6.867  -5.689
  139   2HA   GLY  20          2HA       GLY  20  16.139   5.229  -6.013
  140    H    SER  21           H        SER  21  14.199   5.063  -5.955
  141    HA   SER  21           HA       SER  21  12.636   5.816  -3.727
  142   1HB   SER  21          1HB       SER  21  10.917   6.706  -5.345
  143   2HB   SER  21          2HB       SER  21  12.287   7.722  -5.001
  144    HG   SER  21           HG       SER  21  12.111   7.764  -7.181
  145    H    ILE  22           H        ILE  22  10.532   4.925  -3.923
  146    HA   ILE  22           HA       ILE  22   9.951   3.063  -5.961
  147    HB   ILE  22           HB       ILE  22  10.974   1.657  -4.296
  148   1HG1  ILE  22          1HG1      ILE  22   9.074   0.091  -3.981
  149   2HG1  ILE  22          2HG1      ILE  22   8.019   1.339  -4.617
  150   1HG2  ILE  22          1HG2      ILE  22   9.977   1.255  -2.117
  151   2HG2  ILE  22          2HG2      ILE  22   8.796   2.527  -2.426
  152   3HG2  ILE  22          3HG2      ILE  22  10.508   2.929  -2.271
  153   1HD1  ILE  22          1HD1      ILE  22   8.575  -0.261  -6.339
  154   2HD1  ILE  22          2HD1      ILE  22  10.297   0.020  -6.076
  155   3HD1  ILE  22          3HD1      ILE  22   9.281   1.312  -6.720
  156    H    THR  23           H        THR  23   7.803   2.648  -5.981
  157    HA   THR  23           HA       THR  23   6.088   4.519  -4.583
  158    HB   THR  23           HB       THR  23   6.024   4.499  -7.587
  159    HG1  THR  23           HG1      THR  23   7.777   5.710  -5.982
  160   1HG2  THR  23          1HG2      THR  23   4.601   6.462  -7.312
  161   2HG2  THR  23          2HG2      THR  23   4.758   6.355  -5.558
  162   3HG2  THR  23          3HG2      THR  23   3.915   5.087  -6.452
  163    H    PHE  24           H        PHE  24   4.264   3.733  -4.129
  164    HA   PHE  24           HA       PHE  24   3.117   1.533  -5.699
  165   1HB   PHE  24          1HB       PHE  24   2.917   1.841  -2.697
  166   2HB   PHE  24          2HB       PHE  24   2.359   0.499  -3.667
  167    HD1  PHE  24           HD1      PHE  24   4.068  -0.937  -4.838
  168    HD2  PHE  24           HD2      PHE  24   5.074   1.869  -1.809
  169    HE1  PHE  24           HE1      PHE  24   6.208  -2.095  -4.485
  170    HE2  PHE  24           HE2      PHE  24   7.218   0.723  -1.451
  171    HZ   PHE  24           HZ       PHE  24   7.788  -1.268  -2.794
  172    H    SER  25           H        SER  25   0.926   1.624  -5.860
  173    HA   SER  25           HA       SER  25  -0.558   3.745  -4.593
  174   1HB   SER  25          1HB       SER  25  -0.968   3.129  -7.486
  175   2HB   SER  25          2HB       SER  25  -1.549   4.499  -6.576
  176    HG   SER  25           HG       SER  25   0.737   4.277  -7.965
  177    H    ALA  26           H        ALA  26  -2.327   3.054  -3.865
  178    HA   ALA  26           HA       ALA  26  -3.417   0.447  -4.693
  179   1HB   ALA  26          1HB       ALA  26  -3.949  -0.023  -2.353
  180   2HB   ALA  26          2HB       ALA  26  -3.261   1.529  -1.873
  181   3HB   ALA  26          3HB       ALA  26  -2.222   0.287  -2.532
  182    H    ARG  27           H        ARG  27  -5.381   0.663  -5.512
  183    HA   ARG  27           HA       ARG  27  -7.017   2.977  -4.726
  184   1HB   ARG  27          1HB       ARG  27  -7.186   1.127  -7.110
  185   2HB   ARG  27          2HB       ARG  27  -8.357   2.390  -6.759
  186   1HG   ARG  27          1HG       ARG  27  -6.588   4.074  -6.972
  187   2HG   ARG  27          2HG       ARG  27  -5.433   2.792  -7.366
  188   1HD   ARG  27          1HD       ARG  27  -6.709   2.202  -9.333
  189   2HD   ARG  27          2HD       ARG  27  -7.969   3.358  -8.904
  190    HE   ARG  27           HE       ARG  27  -5.291   4.423  -9.355
  191   1HH1  ARG  27          1HH1      ARG  27  -8.527   3.885 -10.572
  192   2HH1  ARG  27          2HH1      ARG  27  -8.405   5.082 -11.828
  193   1HH2  ARG  27          1HH2      ARG  27  -5.096   5.977 -11.006
  194   2HH2  ARG  27          2HH2      ARG  27  -6.442   6.282 -12.070
  195    H    VAL  28           H        VAL  28  -8.714   2.642  -3.391
  196    HA   VAL  28           HA       VAL  28  -9.830  -0.044  -3.271
  197    HB   VAL  28           HB       VAL  28  -9.600   1.729  -0.857
  198   1HG1  VAL  28          1HG1      VAL  28 -10.107  -1.231  -1.122
  199   2HG1  VAL  28          2HG1      VAL  28 -11.375  -0.018  -0.942
  200   3HG1  VAL  28          3HG1      VAL  28 -10.194  -0.264   0.352
  201   1HG2  VAL  28          1HG2      VAL  28  -7.726  -0.417  -1.825
  202   2HG2  VAL  28          2HG2      VAL  28  -7.767   0.157  -0.163
  203   3HG2  VAL  28          3HG2      VAL  28  -7.353   1.269  -1.467
  204    H    ALA  29           H        ALA  29 -11.809  -0.117  -3.522
  205    HA   ALA  29           HA       ALA  29 -13.500   1.971  -4.191
  206   1HB   ALA  29          1HB       ALA  29 -15.278   0.298  -4.133
  207   2HB   ALA  29          2HB       ALA  29 -14.192  -0.818  -3.301
  208   3HB   ALA  29          3HB       ALA  29 -13.837  -0.306  -4.952
  209    H    GLY  30           H        GLY  30 -13.859   3.524  -2.774
  210   1HA   GLY  30          1HA       GLY  30 -14.451   3.342  -0.041
  211   2HA   GLY  30          2HA       GLY  30 -14.972   4.644  -1.103
  212    H    ALA  31           H        ALA  31 -16.615   3.270  -2.864
  213    HA   ALA  31           HA       ALA  31 -18.439   2.079  -3.256
  214   1HB   ALA  31          1HB       ALA  31 -17.988   0.403  -0.819
  215   2HB   ALA  31          2HB       ALA  31 -16.839   0.366  -2.152
  216   3HB   ALA  31          3HB       ALA  31 -18.523  -0.094  -2.435
  217    H    SER  32           H        SER  32 -20.310   0.780  -1.675
  218    HA   SER  32           HA       SER  32 -21.389   2.913   0.056
  219   1HB   SER  32          1HB       SER  32 -22.721   2.587  -2.010
  220   2HB   SER  32          2HB       SER  32 -22.920   0.882  -1.600
  221    HG   SER  32           HG       SER  32 -23.845   1.779   0.455
  222    H    LEU  33           H        LEU  33 -19.607   0.740   0.686
  223    HA   LEU  33           HA       LEU  33 -20.707  -1.398   2.029
  224   1HB   LEU  33          1HB       LEU  33 -18.619  -1.432   3.366
  225   2HB   LEU  33          2HB       LEU  33 -18.386  -1.349   1.639
  226    HG   LEU  33           HG       LEU  33 -17.142   0.194   3.585
  227   1HD1  LEU  33          1HD1      LEU  33 -16.685   1.462   1.196
  228   2HD1  LEU  33          2HD1      LEU  33 -17.187  -0.162   0.718
  229   3HD1  LEU  33          3HD1      LEU  33 -15.831   0.057   1.822
  230   1HD2  LEU  33          1HD2      LEU  33 -19.336   1.617   3.435
  231   2HD2  LEU  33          2HD2      LEU  33 -18.613   2.199   1.932
  232   3HD2  LEU  33          3HD2      LEU  33 -17.755   2.393   3.456
  233    H    LEU  34           H        LEU  34 -20.073  -1.626   4.538
  234    HA   LEU  34           HA       LEU  34 -22.092  -0.242   5.977
  235   1HB   LEU  34          1HB       LEU  34 -21.251  -2.562   6.446
  236   2HB   LEU  34          2HB       LEU  34 -19.781  -1.837   7.071
  237    HG   LEU  34           HG       LEU  34 -21.327  -0.562   8.671
  238   1HD1  LEU  34          1HD1      LEU  34 -23.180  -2.779   7.834
  239   2HD1  LEU  34          2HD1      LEU  34 -23.421  -1.057   7.544
  240   3HD1  LEU  34          3HD1      LEU  34 -23.432  -1.680   9.192
  241   1HD2  LEU  34          1HD2      LEU  34 -19.791  -2.304   9.386
  242   2HD2  LEU  34          2HD2      LEU  34 -20.958  -3.543   8.922
  243   3HD2  LEU  34          3HD2      LEU  34 -21.322  -2.441  10.251
  244    H    LYS  35           H        LYS  35 -18.573  -0.282   6.258
  245    HA   LYS  35           HA       LYS  35 -18.601   2.591   6.653
  246   1HB   LYS  35          1HB       LYS  35 -16.729   2.276   8.399
  247   2HB   LYS  35          2HB       LYS  35 -18.385   2.020   8.916
  248   1HG   LYS  35          1HG       LYS  35 -17.095   0.315   9.907
  249   2HG   LYS  35          2HG       LYS  35 -17.992  -0.444   8.596
  250   1HD   LYS  35          1HD       LYS  35 -16.132  -0.941   7.438
  251   2HD   LYS  35          2HD       LYS  35 -15.336   0.574   7.863
  252   1HE   LYS  35          1HE       LYS  35 -14.197  -1.424   8.790
  253   2HE   LYS  35          2HE       LYS  35 -14.728  -0.286  10.024
  254   1HZ   LYS  35          1HZ       LYS  35 -16.608  -1.694  10.504
  255   2HZ   LYS  35          2HZ       LYS  35 -15.173  -2.586  10.640
  256   3HZ   LYS  35          3HZ       LYS  35 -16.164  -2.781   9.278
  257    HA   PRO  36           HA       PRO  36 -15.669   2.878   3.468
  258   1HB   PRO  36          1HB       PRO  36 -13.945   4.286   5.479
  259   2HB   PRO  36          2HB       PRO  36 -14.333   4.749   3.817
  260   1HG   PRO  36          1HG       PRO  36 -15.576   5.923   5.852
  261   2HG   PRO  36          2HG       PRO  36 -16.467   5.487   4.381
  262   1HD   PRO  36          1HD       PRO  36 -16.503   4.208   7.068
  263   2HD   PRO  36          2HD       PRO  36 -17.792   4.326   5.853
  264    HA   PRO  37           HA       PRO  37 -13.245  -0.708   3.993
  265   1HB   PRO  37          1HB       PRO  37 -11.175  -0.023   2.239
  266   2HB   PRO  37          2HB       PRO  37 -12.612  -0.984   1.878
  267   1HG   PRO  37          1HG       PRO  37 -12.021   1.808   1.193
  268   2HG   PRO  37          2HG       PRO  37 -13.184   0.684   0.474
  269   1HD   PRO  37          1HD       PRO  37 -13.849   2.814   2.078
  270   2HD   PRO  37          2HD       PRO  37 -14.878   1.387   1.787
  271    H    VAL  38           H        VAL  38 -11.733  -1.329   5.318
  272    HA   VAL  38           HA       VAL  38  -9.884   0.644   6.386
  273    HB   VAL  38           HB       VAL  38 -10.056  -2.118   7.426
  274   1HG1  VAL  38          1HG1      VAL  38  -9.535   0.527   8.755
  275   2HG1  VAL  38          2HG1      VAL  38  -8.321  -0.651   8.247
  276   3HG1  VAL  38          3HG1      VAL  38  -9.450  -1.052   9.540
  277   1HG2  VAL  38          1HG2      VAL  38 -12.002   0.044   8.183
  278   2HG2  VAL  38          2HG2      VAL  38 -11.825  -1.505   9.010
  279   3HG2  VAL  38          3HG2      VAL  38 -12.384  -1.455   7.337
  280    H    VAL  39           H        VAL  39  -8.318   0.644   5.171
  281    HA   VAL  39           HA       VAL  39  -7.154  -1.781   4.107
  282    HB   VAL  39           HB       VAL  39  -6.229   0.902   3.254
  283   1HG1  VAL  39          1HG1      VAL  39  -5.046  -1.039   2.459
  284   2HG1  VAL  39          2HG1      VAL  39  -5.867  -0.247   1.112
  285   3HG1  VAL  39          3HG1      VAL  39  -6.540  -1.719   1.814
  286   1HG2  VAL  39          1HG2      VAL  39  -7.941   1.128   1.564
  287   2HG2  VAL  39          2HG2      VAL  39  -8.688   1.053   3.158
  288   3HG2  VAL  39          3HG2      VAL  39  -8.709  -0.365   2.110
  289    H    LYS  40           H        LYS  40  -5.667  -2.416   5.327
  290    HA   LYS  40           HA       LYS  40  -3.877  -0.565   6.594
  291   1HB   LYS  40          1HB       LYS  40  -3.091  -2.556   7.870
  292   2HB   LYS  40          2HB       LYS  40  -4.736  -2.076   8.193
  293   1HG   LYS  40          1HG       LYS  40  -5.028  -4.319   8.018
  294   2HG   LYS  40          2HG       LYS  40  -5.225  -3.871   6.324
  295   1HD   LYS  40          1HD       LYS  40  -3.726  -5.598   6.108
  296   2HD   LYS  40          2HD       LYS  40  -2.602  -4.248   6.267
  297   1HE   LYS  40          1HE       LYS  40  -1.835  -5.989   7.705
  298   2HE   LYS  40          2HE       LYS  40  -2.528  -4.734   8.733
  299   1HZ   LYS  40          1HZ       LYS  40  -3.214  -6.957   9.419
  300   2HZ   LYS  40          2HZ       LYS  40  -3.918  -7.226   7.900
  301   3HZ   LYS  40          3HZ       LYS  40  -4.552  -6.035   8.922
  302    H    TRP  41           H        TRP  41  -2.175  -0.230   5.852
  303    HA   TRP  41           HA       TRP  41  -1.000  -1.776   3.735
  304   1HB   TRP  41          1HB       TRP  41  -0.259   0.781   5.105
  305   2HB   TRP  41          2HB       TRP  41   0.806  -0.003   3.941
  306    HD1  TRP  41           HD1      TRP  41  -2.647   1.645   4.176
  307    HE1  TRP  41           HE1      TRP  41  -3.249   2.481   1.789
  308    HE3  TRP  41           HE3      TRP  41   1.176  -0.466   1.554
  309    HZ2  TRP  41           HZ2      TRP  41  -2.274   2.177  -0.845
  310    HZ3  TRP  41           HZ3      TRP  41   1.264  -0.176  -0.884
  311    HH2  TRP  41           HH2      TRP  41  -0.448   1.129  -2.050
  312    H    PHE  42           H        PHE  42   0.874  -2.762   3.758
  313    HA   PHE  42           HA       PHE  42   2.345  -2.943   6.278
  314   1HB   PHE  42          1HB       PHE  42   1.112  -5.130   5.562
  315   2HB   PHE  42          2HB       PHE  42   2.306  -5.204   4.271
  316    HD1  PHE  42           HD1      PHE  42   4.556  -5.862   4.707
  317    HD2  PHE  42           HD2      PHE  42   1.832  -5.290   7.927
  318    HE1  PHE  42           HE1      PHE  42   6.164  -6.931   6.245
  319    HE2  PHE  42           HE2      PHE  42   3.421  -6.366   9.465
  320    HZ   PHE  42           HZ       PHE  42   5.588  -7.186   8.625
  321    H    LYS  43           H        LYS  43   4.534  -2.734   5.974
  322    HA   LYS  43           HA       LYS  43   5.153  -1.506   3.387
  323   1HB   LYS  43          1HB       LYS  43   5.366   0.069   5.208
  324   2HB   LYS  43          2HB       LYS  43   6.213  -1.101   6.211
  325   1HG   LYS  43          1HG       LYS  43   8.187  -0.876   4.793
  326   2HG   LYS  43          2HG       LYS  43   7.311   0.263   3.760
  327   1HD   LYS  43          1HD       LYS  43   7.137   1.857   5.485
  328   2HD   LYS  43          2HD       LYS  43   7.596   0.688   6.723
  329   1HE   LYS  43          1HE       LYS  43   9.840   0.566   5.498
  330   2HE   LYS  43          2HE       LYS  43   9.324   2.034   4.668
  331   1HZ   LYS  43          1HZ       LYS  43   9.012   3.059   6.888
  332   2HZ   LYS  43          2HZ       LYS  43  10.622   2.639   6.573
  333   3HZ   LYS  43          3HZ       LYS  43   9.681   1.679   7.599
  334    H    GLY  44           H        GLY  44   7.476  -1.913   2.777
  335   1HA   GLY  44          1HA       GLY  44   8.589  -4.043   2.066
  336   2HA   GLY  44          2HA       GLY  44   9.578  -2.939   2.974
  337    H    LYS  45           H        LYS  45  10.864  -4.923   3.341
  338    HA   LYS  45           HA       LYS  45  10.035  -7.442   3.706
  339   1HB   LYS  45          1HB       LYS  45  12.381  -6.219   3.633
  340   2HB   LYS  45          2HB       LYS  45  12.343  -6.547   5.347
  341   1HG   LYS  45          1HG       LYS  45  11.845  -8.965   4.701
  342   2HG   LYS  45          2HG       LYS  45  12.352  -8.475   3.081
  343   1HD   LYS  45          1HD       LYS  45  14.232  -9.445   4.301
  344   2HD   LYS  45          2HD       LYS  45  14.510  -7.731   3.984
  345   1HE   LYS  45          1HE       LYS  45  15.177  -8.218   6.239
  346   2HE   LYS  45          2HE       LYS  45  13.719  -7.231   6.284
  347   1HZ   LYS  45          1HZ       LYS  45  14.043 -10.091   6.916
  348   2HZ   LYS  45          2HZ       LYS  45  12.525  -9.488   6.465
  349   3HZ   LYS  45          3HZ       LYS  45  13.310  -8.870   7.837
  350    H    TRP  46           H        TRP  46   9.493  -5.175   6.257
  351    HA   TRP  46           HA       TRP  46   8.489  -7.260   7.983
  352   1HB   TRP  46          1HB       TRP  46   9.893  -6.218   9.871
  353   2HB   TRP  46          2HB       TRP  46  10.639  -7.407   8.813
  354    HD1  TRP  46           HD1      TRP  46  12.232  -6.357   6.838
  355    HE1  TRP  46           HE1      TRP  46  13.690  -4.249   6.828
  356    HE3  TRP  46           HE3      TRP  46  10.156  -3.988  10.840
  357    HZ2  TRP  46           HZ2      TRP  46  13.935  -1.872   8.366
  358    HZ3  TRP  46           HZ3      TRP  46  11.051  -1.798  11.513
  359    HH2  TRP  46           HH2      TRP  46  12.889  -0.763  10.299
  360    H    VAL  47           H        VAL  47   8.162  -4.208   6.853
  361    HA   VAL  47           HA       VAL  47   7.927  -2.847   9.311
  362    HB   VAL  47           HB       VAL  47   7.813  -1.195   6.956
  363   1HG1  VAL  47          1HG1      VAL  47   8.326  -0.399   9.158
  364   2HG1  VAL  47          2HG1      VAL  47   9.707  -0.128   8.096
  365   3HG1  VAL  47          3HG1      VAL  47   9.727  -1.470   9.240
  366   1HG2  VAL  47          1HG2      VAL  47   9.111  -2.831   5.782
  367   2HG2  VAL  47          2HG2      VAL  47  10.167  -3.078   7.174
  368   3HG2  VAL  47          3HG2      VAL  47  10.211  -1.554   6.290
  369    H    ASP  48           H        ASP  48   6.467  -1.195   9.364
  370    HA   ASP  48           HA       ASP  48   3.885  -1.615   8.159
  371   1HB   ASP  48          1HB       ASP  48   3.092  -0.396  10.169
  372   2HB   ASP  48          2HB       ASP  48   3.803  -1.948  10.557
  373    H    LEU  49           H        LEU  49   2.832   0.227   7.452
  374    HA   LEU  49           HA       LEU  49   4.373   2.685   7.214
  375   1HB   LEU  49          1HB       LEU  49   1.708   1.916   6.030
  376   2HB   LEU  49          2HB       LEU  49   2.507   3.451   5.769
  377    HG   LEU  49           HG       LEU  49   4.438   1.940   4.871
  378   1HD1  LEU  49          1HD1      LEU  49   3.744  -0.023   3.794
  379   2HD1  LEU  49          2HD1      LEU  49   2.048   0.267   4.191
  380   3HD1  LEU  49          3HD1      LEU  49   3.201  -0.156   5.470
  381   1HD2  LEU  49          1HD2      LEU  49   3.204   3.609   3.601
  382   2HD2  LEU  49          2HD2      LEU  49   1.909   2.428   3.340
  383   3HD2  LEU  49          3HD2      LEU  49   3.510   2.150   2.657
  384    H    SER  50           H        SER  50   1.704   1.415   8.973
  385    HA   SER  50           HA       SER  50   0.126   3.704   9.154
  386   1HB   SER  50          1HB       SER  50  -0.651   1.355   9.617
  387   2HB   SER  50          2HB       SER  50   0.276   1.393  11.114
  388    HG   SER  50           HG       SER  50  -1.083   3.426  11.469
  389    H    SER  51           H        SER  51   3.016   2.656  10.737
  390    HA   SER  51           HA       SER  51   2.592   4.705  12.683
  391   1HB   SER  51          1HB       SER  51   4.267   2.271  12.718
  392   2HB   SER  51          2HB       SER  51   4.702   3.622  13.747
  393    HG   SER  51           HG       SER  51   2.240   2.216  13.709
  394    H    LYS  52           H        LYS  52   4.516   3.911  10.013
  395    HA   LYS  52           HA       LYS  52   6.735   5.568  10.611
  396   1HB   LYS  52          1HB       LYS  52   5.793   3.778   8.429
  397   2HB   LYS  52          2HB       LYS  52   7.121   4.885   8.117
  398   1HG   LYS  52          1HG       LYS  52   7.782   2.638   8.758
  399   2HG   LYS  52          2HG       LYS  52   8.407   3.893   9.814
  400   1HD   LYS  52          1HD       LYS  52   6.521   3.362  11.379
  401   2HD   LYS  52          2HD       LYS  52   6.142   1.968  10.355
  402   1HE   LYS  52          1HE       LYS  52   8.384   1.072  10.765
  403   2HE   LYS  52          2HE       LYS  52   8.770   2.470  11.771
  404   1HZ   LYS  52          1HZ       LYS  52   7.016   1.816  13.296
  405   2HZ   LYS  52          2HZ       LYS  52   8.129   0.556  13.098
  406   3HZ   LYS  52          3HZ       LYS  52   6.623   0.487  12.319
  407    H    VAL  53           H        VAL  53   5.223   5.465   7.615
  408    HA   VAL  53           HA       VAL  53   4.847   7.127   6.060
  409    HB   VAL  53           HB       VAL  53   2.735   6.721   8.092
  410   1HG1  VAL  53          1HG1      VAL  53   2.516   8.445   5.609
  411   2HG1  VAL  53          2HG1      VAL  53   2.029   8.861   7.254
  412   3HG1  VAL  53          3HG1      VAL  53   1.112   7.653   6.337
  413   1HG2  VAL  53          1HG2      VAL  53   1.733   5.502   6.183
  414   2HG2  VAL  53          2HG2      VAL  53   3.294   4.887   6.732
  415   3HG2  VAL  53          3HG2      VAL  53   3.197   5.863   5.260
  416    H    GLY  54           H        GLY  54   6.196   8.748   6.036
  417   1HA   GLY  54          1HA       GLY  54   5.251  11.261   7.080
  418   2HA   GLY  54          2HA       GLY  54   6.716  10.710   7.879
  419    H    GLN  55           H        GLN  55   8.661  10.811   6.794
  420    HA   GLN  55           HA       GLN  55   8.633  12.873   4.776
  421   1HB   GLN  55          1HB       GLN  55  10.149  12.896   6.774
  422   2HB   GLN  55          2HB       GLN  55  11.034  11.561   6.055
  423   1HG   GLN  55          1HG       GLN  55  10.650  14.118   4.549
  424   2HG   GLN  55          2HG       GLN  55  11.914  13.970   5.768
  425   1HE2  GLN  55          1HE2      GLN  55  12.063  14.347   2.847
  426   2HE2  GLN  55          2HE2      GLN  55  13.042  13.048   2.265
  427    H    HIS  56           H        HIS  56  10.113   9.594   4.957
  428    HA   HIS  56           HA       HIS  56  10.723   9.831   2.116
  429   1HB   HIS  56          1HB       HIS  56  12.224   8.079   2.358
  430   2HB   HIS  56          2HB       HIS  56  12.321   8.885   3.911
  431    HD1  HIS  56           HD1      HIS  56  11.227   5.732   2.280
  432    HD2  HIS  56           HD2      HIS  56  11.376   7.393   6.085
  433    HE1  HIS  56           HE1      HIS  56  10.645   3.863   3.861
  434    HE2  HIS  56           HE2      HIS  56  11.086   4.834   6.154
  435    H    LEU  57           H        LEU  57   8.701   8.003   4.209
  436    HA   LEU  57           HA       LEU  57   7.300   6.811   1.918
  437   1HB   LEU  57          1HB       LEU  57   8.158   5.097   3.421
  438   2HB   LEU  57          2HB       LEU  57   7.565   5.929   4.825
  439    HG   LEU  57           HG       LEU  57   6.362   3.856   3.175
  440   1HD1  LEU  57          1HD1      LEU  57   6.685   3.406   5.381
  441   2HD1  LEU  57          2HD1      LEU  57   4.951   3.734   5.280
  442   3HD1  LEU  57          3HD1      LEU  57   6.053   4.961   5.898
  443   1HD2  LEU  57          1HD2      LEU  57   4.542   6.149   3.914
  444   2HD2  LEU  57          2HD2      LEU  57   4.047   4.568   3.305
  445   3HD2  LEU  57          3HD2      LEU  57   4.968   5.663   2.273
  446    H    GLN  58           H        GLN  58   5.867   8.467   1.544
  447    HA   GLN  58           HA       GLN  58   4.043   9.184   3.659
  448   1HB   GLN  58          1HB       GLN  58   3.951  10.026   0.754
  449   2HB   GLN  58          2HB       GLN  58   3.113  10.768   2.106
  450   1HG   GLN  58          1HG       GLN  58   4.771  12.249   1.836
  451   2HG   GLN  58          2HG       GLN  58   5.587  11.166   2.935
  452   1HE2  GLN  58          1HE2      GLN  58   7.285   9.984   2.219
  453   2HE2  GLN  58          2HE2      GLN  58   8.024  10.218   0.672
  454    H    LEU  59           H        LEU  59   2.582   7.744   3.923
  455    HA   LEU  59           HA       LEU  59   1.398   6.296   1.701
  456   1HB   LEU  59          1HB       LEU  59   2.051   5.145   3.929
  457   2HB   LEU  59          2HB       LEU  59   0.743   6.037   4.658
  458    HG   LEU  59           HG       LEU  59   0.606   3.727   2.745
  459   1HD1  LEU  59          1HD1      LEU  59   0.673   3.014   4.916
  460   2HD1  LEU  59          2HD1      LEU  59  -1.068   3.123   4.614
  461   3HD1  LEU  59          3HD1      LEU  59  -0.244   4.406   5.520
  462   1HD2  LEU  59          1HD2      LEU  59  -0.907   5.385   1.829
  463   2HD2  LEU  59          2HD2      LEU  59  -1.651   5.605   3.415
  464   3HD2  LEU  59          3HD2      LEU  59  -1.798   4.059   2.579
  465    H    HIS  60           H        HIS  60   0.331   7.930   0.743
  466    HA   HIS  60           HA       HIS  60  -1.431   9.636   2.179
  467   1HB   HIS  60          1HB       HIS  60  -0.718   9.451  -0.728
  468   2HB   HIS  60          2HB       HIS  60  -1.931  10.536  -0.108
  469    HD1  HIS  60           HD1      HIS  60   0.917  11.166  -1.535
  470    HD2  HIS  60           HD2      HIS  60  -0.131  11.671   2.466
  471    HE1  HIS  60           HE1      HIS  60   2.462  12.944  -0.641
  472    HE2  HIS  60           HE2      HIS  60   1.711  13.345   1.734
  473    H    ASP  61           H        ASP  61  -3.449   9.933   1.388
  474    HA   ASP  61           HA       ASP  61  -4.836   7.727   0.212
  475   1HB   ASP  61          1HB       ASP  61  -6.600   7.930   1.941
  476   2HB   ASP  61          2HB       ASP  61  -5.146   7.098   2.428
  477    H    SER  62           H        SER  62  -5.797   8.485  -1.261
  478    HA   SER  62           HA       SER  62  -6.898  11.186  -1.288
  479   1HB   SER  62          1HB       SER  62  -7.071   9.345  -3.623
  480   2HB   SER  62          2HB       SER  62  -6.936  11.095  -3.602
  481    HG   SER  62           HG       SER  62  -4.804   9.689  -2.520
  482    H    TYR  63           H        TYR  63  -9.063  11.544  -1.839
  483    HA   TYR  63           HA       TYR  63 -10.800   9.255  -1.415
  484   1HB   TYR  63          1HB       TYR  63 -10.881  10.126   0.680
  485   2HB   TYR  63          2HB       TYR  63 -10.714  11.793   0.150
  486    HD1  TYR  63           HD1      TYR  63 -12.582  13.120   0.414
  487    HD2  TYR  63           HD2      TYR  63 -13.120   8.952  -0.238
  488    HE1  TYR  63           HE1      TYR  63 -15.016  13.408   0.635
  489    HE2  TYR  63           HE2      TYR  63 -15.556   9.232  -0.016
  490    HH   TYR  63           HH       TYR  63 -17.070  12.273  -0.041
  491    H    ASP  64           H        ASP  64 -11.509   9.036  -3.298
  492    HA   ASP  64           HA       ASP  64 -13.042  11.244  -4.511
  493   1HB   ASP  64          1HB       ASP  64 -11.126  10.009  -5.753
  494   2HB   ASP  64          2HB       ASP  64 -12.336   8.768  -5.972
  495    H    ARG  65           H        ARG  65 -15.023  11.017  -4.103
  496    HA   ARG  65           HA       ARG  65 -16.197   8.518  -3.312
  497   1HB   ARG  65          1HB       ARG  65 -16.611  11.137  -2.554
  498   2HB   ARG  65          2HB       ARG  65 -18.043  10.748  -3.505
  499   1HG   ARG  65          1HG       ARG  65 -16.964   9.161  -1.223
  500   2HG   ARG  65          2HG       ARG  65 -18.352  10.249  -1.148
  501   1HD   ARG  65          1HD       ARG  65 -19.482   8.863  -2.854
  502   2HD   ARG  65          2HD       ARG  65 -18.111   7.760  -2.844
  503    HE   ARG  65           HE       ARG  65 -18.730   7.493  -0.364
  504   1HH1  ARG  65          1HH1      ARG  65 -21.079   8.190  -2.870
  505   2HH1  ARG  65          2HH1      ARG  65 -22.350   7.272  -2.109
  506   1HH2  ARG  65          1HH2      ARG  65 -20.416   6.287   0.632
  507   2HH2  ARG  65          2HH2      ARG  65 -21.966   6.190  -0.139
  508    H    ALA  66           H        ALA  66 -16.495  10.813  -5.913
  509    HA   ALA  66           HA       ALA  66 -18.755   9.738  -7.167
  510   1HB   ALA  66          1HB       ALA  66 -17.836  11.934  -7.737
  511   2HB   ALA  66          2HB       ALA  66 -18.008  10.916  -9.169
  512   3HB   ALA  66          3HB       ALA  66 -16.420  11.150  -8.438
  513    H    SER  67           H        SER  67 -15.439   8.824  -7.146
  514    HA   SER  67           HA       SER  67 -15.979   6.613  -8.987
  515   1HB   SER  67          1HB       SER  67 -13.304   7.392  -7.835
  516   2HB   SER  67          2HB       SER  67 -13.625   6.430  -9.278
  517    HG   SER  67           HG       SER  67 -13.953   9.221  -8.891
  518    H    LYS  68           H        LYS  68 -15.993   7.339  -5.764
  519    HA   LYS  68           HA       LYS  68 -15.204   6.536  -3.908
  520   1HB   LYS  68          1HB       LYS  68 -16.362   4.620  -3.152
  521   2HB   LYS  68          2HB       LYS  68 -17.367   5.752  -3.967
  522   1HG   LYS  68          1HG       LYS  68 -18.192   3.629  -4.523
  523   2HG   LYS  68          2HG       LYS  68 -17.332   4.192  -5.919
  524   1HD   LYS  68          1HD       LYS  68 -15.684   2.625  -5.737
  525   2HD   LYS  68          2HD       LYS  68 -15.853   2.562  -3.984
  526   1HE   LYS  68          1HE       LYS  68 -16.535   0.494  -5.159
  527   2HE   LYS  68          2HE       LYS  68 -17.744   1.196  -4.090
  528   1HZ   LYS  68          1HZ       LYS  68 -18.903   2.079  -5.994
  529   2HZ   LYS  68          2HZ       LYS  68 -18.668   0.418  -6.220
  530   3HZ   LYS  68          3HZ       LYS  68 -17.699   1.528  -7.056
  531    H    VAL  69           H        VAL  69 -13.248   6.663  -5.118
  532    HA   VAL  69           HA       VAL  69 -11.767   4.202  -4.516
  533    HB   VAL  69           HB       VAL  69 -10.707   6.298  -6.359
  534   1HG1  VAL  69          1HG1      VAL  69  -9.161   4.557  -7.024
  535   2HG1  VAL  69          2HG1      VAL  69  -9.979   3.414  -5.960
  536   3HG1  VAL  69          3HG1      VAL  69  -9.123   4.797  -5.275
  537   1HG2  VAL  69          1HG2      VAL  69 -11.305   4.838  -8.260
  538   2HG2  VAL  69          2HG2      VAL  69 -12.731   5.447  -7.419
  539   3HG2  VAL  69          3HG2      VAL  69 -12.193   3.793  -7.147
  540    H    TYR  70           H        TYR  70 -10.878   4.495  -2.698
  541    HA   TYR  70           HA       TYR  70  -9.623   7.007  -2.002
  542   1HB   TYR  70          1HB       TYR  70  -9.778   4.401  -0.548
  543   2HB   TYR  70          2HB       TYR  70  -8.851   5.759   0.030
  544    HD1  TYR  70           HD1      TYR  70  -9.808   7.293   1.438
  545    HD2  TYR  70           HD2      TYR  70 -12.324   4.808  -0.910
  546    HE1  TYR  70           HE1      TYR  70 -11.763   8.167   2.638
  547    HE2  TYR  70           HE2      TYR  70 -14.295   5.681   0.271
  548    HH   TYR  70           HH       TYR  70 -14.079   8.380   2.465
  549    H    LEU  71           H        LEU  71  -7.898   7.270  -3.061
  550    HA   LEU  71           HA       LEU  71  -6.217   5.058  -3.822
  551   1HB   LEU  71          1HB       LEU  71  -6.382   6.697  -5.568
  552   2HB   LEU  71          2HB       LEU  71  -5.948   7.991  -4.456
  553    HG   LEU  71           HG       LEU  71  -3.737   6.826  -4.116
  554   1HD1  LEU  71          1HD1      LEU  71  -4.285   4.625  -4.885
  555   2HD1  LEU  71          2HD1      LEU  71  -3.004   5.291  -5.899
  556   3HD1  LEU  71          3HD1      LEU  71  -4.662   5.239  -6.497
  557   1HD2  LEU  71          1HD2      LEU  71  -4.289   7.782  -6.913
  558   2HD2  LEU  71          2HD2      LEU  71  -2.716   7.701  -6.111
  559   3HD2  LEU  71          3HD2      LEU  71  -3.951   8.812  -5.519
  560    H    PHE  72           H        PHE  72  -5.245   4.365  -2.155
  561    HA   PHE  72           HA       PHE  72  -3.726   6.117  -0.455
  562   1HB   PHE  72          1HB       PHE  72  -3.990   3.161  -0.682
  563   2HB   PHE  72          2HB       PHE  72  -2.897   3.910   0.465
  564    HD1  PHE  72           HD1      PHE  72  -6.432   3.394  -0.439
  565    HD2  PHE  72           HD2      PHE  72  -3.719   4.849   2.498
  566    HE1  PHE  72           HE1      PHE  72  -8.273   3.542   1.186
  567    HE2  PHE  72           HE2      PHE  72  -5.557   4.995   4.127
  568    HZ   PHE  72           HZ       PHE  72  -7.827   4.355   3.479
  569    H    GLU  73           H        GLU  73  -2.044   6.887  -1.261
  570    HA   GLU  73           HA       GLU  73  -0.500   5.373  -3.225
  571   1HB   GLU  73          1HB       GLU  73   0.369   7.618  -4.007
  572   2HB   GLU  73          2HB       GLU  73  -1.289   7.218  -4.415
  573   1HG   GLU  73          1HG       GLU  73  -2.159   8.872  -3.150
  574   2HG   GLU  73          2HG       GLU  73  -0.936   8.693  -1.897
  575    H    LEU  74           H        LEU  74   1.359   4.871  -2.730
  576    HA   LEU  74           HA       LEU  74   2.626   5.934  -0.367
  577   1HB   LEU  74          1HB       LEU  74   3.594   3.770  -2.209
  578   2HB   LEU  74          2HB       LEU  74   4.296   4.185  -0.664
  579    HG   LEU  74           HG       LEU  74   2.003   2.516  -1.322
  580   1HD1  LEU  74          1HD1      LEU  74   3.956   1.540  -0.473
  581   2HD1  LEU  74          2HD1      LEU  74   2.727   1.441   0.790
  582   3HD1  LEU  74          3HD1      LEU  74   3.994   2.669   0.877
  583   1HD2  LEU  74          1HD2      LEU  74   0.840   2.942   0.813
  584   2HD2  LEU  74          2HD2      LEU  74   0.781   4.331  -0.276
  585   3HD2  LEU  74          3HD2      LEU  74   1.904   4.324   1.084
  586    H    HIS  75           H        HIS  75   4.097   7.242  -0.480
  587    HA   HIS  75           HA       HIS  75   5.751   7.338  -2.901
  588   1HB   HIS  75          1HB       HIS  75   4.735   9.595  -1.202
  589   2HB   HIS  75          2HB       HIS  75   6.349   9.728  -1.895
  590    HD1  HIS  75           HD1      HIS  75   2.731   9.868  -2.821
  591    HD2  HIS  75           HD2      HIS  75   6.434   9.887  -4.716
  592    HE1  HIS  75           HE1      HIS  75   2.286  10.608  -5.177
  593    HE2  HIS  75           HE2      HIS  75   4.559  10.775  -6.252
  594    H    ILE  76           H        ILE  76   7.172   5.916  -2.255
  595    HA   ILE  76           HA       ILE  76   8.404   6.393   0.367
  596    HB   ILE  76           HB       ILE  76   8.010   3.767  -1.003
  597   1HG1  ILE  76          1HG1      ILE  76   6.546   5.016   1.324
  598   2HG1  ILE  76          2HG1      ILE  76   5.845   4.405  -0.200
  599   1HG2  ILE  76          1HG2      ILE  76   8.819   2.785   1.121
  600   2HG2  ILE  76          2HG2      ILE  76   9.167   4.408   1.708
  601   3HG2  ILE  76          3HG2      ILE  76  10.045   3.765   0.316
  602   1HD1  ILE  76          1HD1      ILE  76   7.144   2.714   1.932
  603   2HD1  ILE  76          2HD1      ILE  76   6.404   2.138   0.440
  604   3HD1  ILE  76          3HD1      ILE  76   5.411   2.914   1.674
  605    H    THR  77           H        THR  77  10.128   7.378  -0.257
  606    HA   THR  77           HA       THR  77  11.646   6.433  -2.464
  607    HB   THR  77           HB       THR  77  12.957   8.543  -2.137
  608    HG1  THR  77           HG1      THR  77  12.486   9.758  -0.475
  609   1HG2  THR  77          1HG2      THR  77  10.024   8.956  -2.636
  610   2HG2  THR  77          2HG2      THR  77  11.126   8.201  -3.786
  611   3HG2  THR  77          3HG2      THR  77  11.370   9.883  -3.304
  612    H    ASP  78           H        ASP  78  13.789   6.682  -2.242
  613    HA   ASP  78           HA       ASP  78  15.688   5.600  -1.663
  614   1HB   ASP  78          1HB       ASP  78  15.198   7.146   0.817
  615   2HB   ASP  78          2HB       ASP  78  16.724   6.526   0.219
  616    H    ALA  79           H        ALA  79  14.532   3.708  -1.564
  617    HA   ALA  79           HA       ALA  79  13.715   2.416   0.803
  618   1HB   ALA  79          1HB       ALA  79  13.992   0.316  -0.498
  619   2HB   ALA  79          2HB       ALA  79  14.700   1.265  -1.808
  620   3HB   ALA  79          3HB       ALA  79  13.020   1.534  -1.332
  621    H    GLN  80           H        GLN  80  14.996   2.047   2.451
  622    HA   GLN  80           HA       GLN  80  17.816   2.043   2.290
  623   1HB   GLN  80          1HB       GLN  80  17.751   1.893   4.582
  624   2HB   GLN  80          2HB       GLN  80  16.119   2.484   4.270
  625   1HG   GLN  80          1HG       GLN  80  15.148   0.571   4.928
  626   2HG   GLN  80          2HG       GLN  80  16.461  -0.441   4.320
  627   1HE2  GLN  80          1HE2      GLN  80  18.263  -0.780   5.568
  628   2HE2  GLN  80          2HE2      GLN  80  18.284  -0.471   7.270
  629    HA   PRO  81           HA       PRO  81  18.490  -2.124   1.110
  630   1HB   PRO  81          1HB       PRO  81  20.707  -2.891   2.473
  631   2HB   PRO  81          2HB       PRO  81  20.762  -1.674   1.191
  632   1HG   PRO  81          1HG       PRO  81  20.729  -1.294   4.160
  633   2HG   PRO  81          2HG       PRO  81  21.695  -0.452   2.936
  634   1HD   PRO  81          1HD       PRO  81  19.422   0.584   4.046
  635   2HD   PRO  81          2HD       PRO  81  19.992   0.999   2.417
  636    H    ALA  82           H        ALA  82  18.367  -4.344   1.747
  637    HA   ALA  82           HA       ALA  82  17.396  -6.068   2.856
  638   1HB   ALA  82          1HB       ALA  82  17.624  -6.218   5.274
  639   2HB   ALA  82          2HB       ALA  82  18.077  -4.515   5.352
  640   3HB   ALA  82          3HB       ALA  82  19.134  -5.673   4.544
  641    H    PHE  83           H        PHE  83  16.008  -3.340   2.277
  642    HA   PHE  83           HA       PHE  83  13.764  -3.471   4.099
  643   1HB   PHE  83          1HB       PHE  83  14.841  -1.549   2.279
  644   2HB   PHE  83          2HB       PHE  83  13.194  -1.897   1.791
  645    HD1  PHE  83           HD1      PHE  83  13.636  -2.213   5.365
  646    HD2  PHE  83           HD2      PHE  83  12.998   0.564   2.198
  647    HE1  PHE  83           HE1      PHE  83  12.813  -0.560   6.979
  648    HE2  PHE  83           HE2      PHE  83  12.188   2.222   3.813
  649    HZ   PHE  83           HZ       PHE  83  12.092   1.663   6.209
  650    H    THR  84           H        THR  84  14.785  -5.110   1.429
  651    HA   THR  84           HA       THR  84  13.384  -5.605  -0.530
  652    HB   THR  84           HB       THR  84  13.608  -7.826   1.456
  653    HG1  THR  84           HG1      THR  84  15.699  -8.050   0.728
  654   1HG2  THR  84          1HG2      THR  84  12.280  -8.453  -0.475
  655   2HG2  THR  84          2HG2      THR  84  13.872  -9.199  -0.628
  656   3HG2  THR  84          3HG2      THR  84  13.481  -7.752  -1.565
  657    H    GLY  85           H        GLY  85  11.625  -4.647  -0.597
  658   1HA   GLY  85          1HA       GLY  85   9.672  -4.287   1.170
  659   2HA   GLY  85          2HA       GLY  85   9.458  -4.127  -0.558
  660    H    GLY  86           H        GLY  86   8.644  -5.686   2.123
  661   1HA   GLY  86          1HA       GLY  86   6.858  -7.232   0.421
  662   2HA   GLY  86          2HA       GLY  86   7.155  -7.606   2.115
  663    H    TYR  87           H        TYR  87   6.248  -4.863   0.163
  664    HA   TYR  87           HA       TYR  87   4.597  -3.667   2.187
  665   1HB   TYR  87          1HB       TYR  87   4.733  -3.185  -0.818
  666   2HB   TYR  87          2HB       TYR  87   3.907  -2.161   0.350
  667    HD1  TYR  87           HD1      TYR  87   7.217  -3.380  -0.740
  668    HD2  TYR  87           HD2      TYR  87   5.093  -0.536   1.605
  669    HE1  TYR  87           HE1      TYR  87   9.292  -2.109  -0.414
  670    HE2  TYR  87           HE2      TYR  87   7.165   0.749   1.934
  671    HH   TYR  87           HH       TYR  87   9.621   0.341   1.883
  672    H    ARG  88           H        ARG  88   2.741  -4.766   2.781
  673    HA   ARG  88           HA       ARG  88   1.377  -6.271   0.653
  674   1HB   ARG  88          1HB       ARG  88   1.480  -7.047   3.571
  675   2HB   ARG  88          2HB       ARG  88   0.827  -7.995   2.240
  676   1HG   ARG  88          1HG       ARG  88   3.082  -8.175   1.284
  677   2HG   ARG  88          2HG       ARG  88   3.719  -7.252   2.643
  678   1HD   ARG  88          1HD       ARG  88   2.748  -9.047   4.142
  679   2HD   ARG  88          2HD       ARG  88   2.480  -9.997   2.680
  680    HE   ARG  88           HE       ARG  88   5.102  -9.156   3.724
  681   1HH1  ARG  88          1HH1      ARG  88   3.170 -11.225   1.644
  682   2HH1  ARG  88          2HH1      ARG  88   4.500 -12.285   1.256
  683   1HH2  ARG  88          1HH2      ARG  88   6.846 -10.529   3.190
  684   2HH2  ARG  88          2HH2      ARG  88   6.598 -11.873   2.117
  685    H    CYS  89           H        CYS  89  -0.365  -5.156   0.144
  686    HA   CYS  89           HA       CYS  89  -1.700  -3.595   2.195
  687   1HB   CYS  89          1HB       CYS  89  -1.167  -2.974  -0.344
  688   2HB   CYS  89          2HB       CYS  89  -2.758  -3.686  -0.573
  689    HG   CYS  89           HG       CYS  89  -1.890  -0.856   1.075
  690    H    GLU  90           H        GLU  90  -3.383  -4.238   3.200
  691    HA   GLU  90           HA       GLU  90  -5.040  -6.379   2.058
  692   1HB   GLU  90          1HB       GLU  90  -3.591  -7.363   3.768
  693   2HB   GLU  90          2HB       GLU  90  -4.090  -6.137   4.920
  694   1HG   GLU  90          1HG       GLU  90  -6.402  -7.019   4.784
  695   2HG   GLU  90          2HG       GLU  90  -5.799  -8.320   3.755
  696    H    VAL  91           H        VAL  91  -6.933  -5.443   1.657
  697    HA   VAL  91           HA       VAL  91  -7.885  -3.424   3.547
  698    HB   VAL  91           HB       VAL  91  -7.938  -2.576   1.331
  699   1HG1  VAL  91          1HG1      VAL  91  -9.504  -5.027   0.566
  700   2HG1  VAL  91          2HG1      VAL  91  -7.865  -4.615   0.060
  701   3HG1  VAL  91          3HG1      VAL  91  -9.229  -3.633  -0.478
  702   1HG2  VAL  91          1HG2      VAL  91 -10.365  -2.141   1.013
  703   2HG2  VAL  91          2HG2      VAL  91  -9.789  -1.867   2.654
  704   3HG2  VAL  91          3HG2      VAL  91 -10.696  -3.330   2.272
  705    H    SER  92           H        SER  92  -9.793  -3.564   4.552
  706    HA   SER  92           HA       SER  92 -11.205  -6.126   4.462
  707   1HB   SER  92          1HB       SER  92 -10.174  -4.866   7.024
  708   2HB   SER  92          2HB       SER  92 -11.073  -6.379   6.884
  709    HG   SER  92           HG       SER  92  -8.771  -6.241   5.363
  710    H    THR  93           H        THR  93 -13.184  -5.533   4.032
  711    HA   THR  93           HA       THR  93 -14.327  -3.171   5.376
  712    HB   THR  93           HB       THR  93 -15.113  -3.900   2.611
  713    HG1  THR  93           HG1      THR  93 -12.663  -3.612   2.993
  714   1HG2  THR  93          1HG2      THR  93 -15.584  -1.564   2.444
  715   2HG2  THR  93          2HG2      THR  93 -14.756  -1.242   3.965
  716   3HG2  THR  93          3HG2      THR  93 -16.273  -2.149   3.959
  717    H    LYS  94           H        LYS  94 -16.675  -3.236   5.378
  718    HA   LYS  94           HA       LYS  94 -18.393  -4.598   6.362
  719   1HB   LYS  94          1HB       LYS  94 -19.806  -5.012   4.207
  720   2HB   LYS  94          2HB       LYS  94 -19.408  -3.383   4.708
  721   1HG   LYS  94          1HG       LYS  94 -18.315  -2.961   2.828
  722   2HG   LYS  94          2HG       LYS  94 -17.363  -4.431   2.939
  723   1HD   LYS  94          1HD       LYS  94 -20.080  -4.044   1.686
  724   2HD   LYS  94          2HD       LYS  94 -18.572  -4.555   0.914
  725   1HE   LYS  94          1HE       LYS  94 -18.645  -6.674   1.941
  726   2HE   LYS  94          2HE       LYS  94 -19.953  -6.203   3.021
  727   1HZ   LYS  94          1HZ       LYS  94 -20.932  -7.493   1.357
  728   2HZ   LYS  94          2HZ       LYS  94 -20.064  -6.727   0.120
  729   3HZ   LYS  94          3HZ       LYS  94 -21.305  -5.895   0.927
  730    H    ASP  95           H        ASP  95 -17.555  -6.312   3.395
  731    HA   ASP  95           HA       ASP  95 -17.060  -8.754   4.754
  732   1HB   ASP  95          1HB       ASP  95 -19.583  -8.454   4.238
  733   2HB   ASP  95          2HB       ASP  95 -19.117  -8.765   2.581
  734    H    LYS  96           H        LYS  96 -16.226  -6.554   2.547
  735    HA   LYS  96           HA       LYS  96 -15.516  -8.427   0.477
  736   1HB   LYS  96          1HB       LYS  96 -15.945  -5.520   0.321
  737   2HB   LYS  96          2HB       LYS  96 -14.451  -6.054  -0.385
  738   1HG   LYS  96          1HG       LYS  96 -16.318  -7.883  -1.248
  739   2HG   LYS  96          2HG       LYS  96 -17.133  -6.321  -1.346
  740   1HD   LYS  96          1HD       LYS  96 -16.029  -6.752  -3.427
  741   2HD   LYS  96          2HD       LYS  96 -15.159  -5.465  -2.589
  742   1HE   LYS  96          1HE       LYS  96 -13.462  -6.980  -1.882
  743   2HE   LYS  96          2HE       LYS  96 -14.380  -8.363  -2.486
  744   1HZ   LYS  96          1HZ       LYS  96 -13.746  -6.253  -4.370
  745   2HZ   LYS  96          2HZ       LYS  96 -13.832  -7.933  -4.610
  746   3HZ   LYS  96          3HZ       LYS  96 -12.463  -7.245  -3.868
  747    H    PHE  97           H        PHE  97 -13.622  -8.892   0.012
  748    HA   PHE  97           HA       PHE  97 -11.458  -8.031   1.793
  749   1HB   PHE  97          1HB       PHE  97 -12.667 -10.165   2.448
  750   2HB   PHE  97          2HB       PHE  97 -11.902 -10.905   1.054
  751    HD1  PHE  97           HD1      PHE  97 -11.026  -8.880   4.058
  752    HD2  PHE  97           HD2      PHE  97  -9.896 -11.949   1.342
  753    HE1  PHE  97           HE1      PHE  97  -9.005  -9.314   5.392
  754    HE2  PHE  97           HE2      PHE  97  -7.875 -12.392   2.668
  755    HZ   PHE  97           HZ       PHE  97  -7.449 -11.046   4.730
  756    H    ASP  98           H        ASP  98  -9.595  -7.743   0.892
  757    HA   ASP  98           HA       ASP  98  -8.736  -9.160  -1.462
  758   1HB   ASP  98          1HB       ASP  98  -9.477  -6.272  -1.626
  759   2HB   ASP  98          2HB       ASP  98  -8.069  -6.826  -2.512
  760    H    CYS  99           H        CYS  99  -6.529  -9.034  -1.799
  761    HA   CYS  99           HA       CYS  99  -4.924  -7.366  -0.036
  762   1HB   CYS  99          1HB       CYS  99  -4.304 -10.309  -0.192
  763   2HB   CYS  99          2HB       CYS  99  -3.717  -9.115   0.961
  764    HG   CYS  99           HG       CYS  99  -6.936 -10.270   0.874
  765    H    SER 100           H        SER 100  -2.835  -7.015  -0.811
  766    HA   SER 100           HA       SER 100  -2.046  -8.429  -3.255
  767   1HB   SER 100          1HB       SER 100  -1.430  -6.300  -4.364
  768   2HB   SER 100          2HB       SER 100  -3.150  -6.383  -4.025
  769    HG   SER 100           HG       SER 100  -1.167  -4.845  -2.754
  770    H    ASN 101           H        ASN 101   0.049  -8.892  -3.328
  771    HA   ASN 101           HA       ASN 101   1.793  -7.687  -1.298
  772   1HB   ASN 101          1HB       ASN 101   3.153  -9.663  -1.366
  773   2HB   ASN 101          2HB       ASN 101   1.485 -10.164  -1.196
  774   1HD2  ASN 101          1HD2      ASN 101   1.070  -9.643  -4.163
  775   2HD2  ASN 101          2HD2      ASN 101   1.759 -11.042  -4.903
  776    H    PHE 102           H        PHE 102   3.482  -6.472  -1.898
  777    HA   PHE 102           HA       PHE 102   4.365  -6.579  -4.664
  778   1HB   PHE 102          1HB       PHE 102   4.327  -3.913  -4.443
  779   2HB   PHE 102          2HB       PHE 102   3.005  -4.834  -5.133
  780    HD1  PHE 102           HD1      PHE 102   3.881  -2.373  -2.776
  781    HD2  PHE 102           HD2      PHE 102   1.141  -5.539  -3.439
  782    HE1  PHE 102           HE1      PHE 102   2.364  -1.392  -1.129
  783    HE2  PHE 102           HE2      PHE 102  -0.401  -4.554  -1.805
  784    HZ   PHE 102           HZ       PHE 102   0.175  -2.429  -0.699
  785    H    ASN 103           H        ASN 103   6.439  -6.773  -4.651
  786    HA   ASN 103           HA       ASN 103   7.808  -6.397  -2.122
  787   1HB   ASN 103          1HB       ASN 103   8.633  -7.892  -4.615
  788   2HB   ASN 103          2HB       ASN 103   9.415  -7.950  -3.064
  789   1HD2  ASN 103          1HD2      ASN 103   8.202 -10.020  -4.745
  790   2HD2  ASN 103          2HD2      ASN 103   7.070 -10.828  -3.727
  791    H    LEU 104           H        LEU 104   9.698  -5.470  -1.991
  792    HA   LEU 104           HA       LEU 104  10.565  -3.802  -4.276
  793   1HB   LEU 104          1HB       LEU 104   9.993  -2.112  -2.891
  794   2HB   LEU 104          2HB       LEU 104  10.179  -3.066  -1.422
  795    HG   LEU 104           HG       LEU 104  12.700  -2.700  -2.507
  796   1HD1  LEU 104          1HD1      LEU 104  12.852  -0.265  -2.751
  797   2HD1  LEU 104          2HD1      LEU 104  11.098  -0.166  -2.573
  798   3HD1  LEU 104          3HD1      LEU 104  11.796  -0.998  -3.962
  799   1HD2  LEU 104          1HD2      LEU 104  12.239  -2.807  -0.118
  800   2HD2  LEU 104          2HD2      LEU 104  11.379  -1.270  -0.214
  801   3HD2  LEU 104          3HD2      LEU 104  13.117  -1.328  -0.514
  802    H    THR 105           H        THR 105  12.356  -4.672  -5.091
  803    HA   THR 105           HA       THR 105  14.214  -6.036  -3.301
  804    HB   THR 105           HB       THR 105  14.518  -5.770  -6.285
  805    HG1  THR 105           HG1      THR 105  12.601  -7.109  -4.947
  806   1HG2  THR 105          1HG2      THR 105  15.522  -7.805  -4.300
  807   2HG2  THR 105          2HG2      THR 105  16.480  -6.524  -5.045
  808   3HG2  THR 105          3HG2      THR 105  15.822  -7.828  -6.035
  809    H    VAL 106           H        VAL 106  15.311  -4.488  -2.257
  810    HA   VAL 106           HA       VAL 106  16.233  -2.180  -3.653
  811    HB   VAL 106           HB       VAL 106  15.280  -1.818  -1.430
  812   1HG1  VAL 106          1HG1      VAL 106  16.506  -2.503   0.579
  813   2HG1  VAL 106          2HG1      VAL 106  17.467  -3.575  -0.443
  814   3HG1  VAL 106          3HG1      VAL 106  15.721  -3.816  -0.297
  815   1HG2  VAL 106          1HG2      VAL 106  18.210  -1.231  -1.598
  816   2HG2  VAL 106          2HG2      VAL 106  17.088  -0.455  -0.485
  817   3HG2  VAL 106          3HG2      VAL 106  16.898  -0.225  -2.227
  818    H    HIS 107           H        HIS 107  17.974  -2.020  -4.436
  819    HA   HIS 107           HA       HIS 107  20.050  -4.034  -4.162
  820   1HB   HIS 107          1HB       HIS 107  19.618  -1.911  -6.277
  821   2HB   HIS 107          2HB       HIS 107  20.956  -3.058  -6.271
  822    HD1  HIS 107           HD1      HIS 107  20.370  -5.567  -6.748
  823    HD2  HIS 107           HD2      HIS 107  17.209  -2.896  -7.246
  824    HE1  HIS 107           HE1      HIS 107  18.542  -6.860  -7.891
  825    HE2  HIS 107           HE2      HIS 107  16.705  -5.213  -8.318
  826    H    GLU 108           H        GLU 108  21.153  -3.497  -2.490
  827    HA   GLU 108           HA       GLU 108  21.955  -0.929  -1.695
  828   1HB   GLU 108          1HB       GLU 108  21.983  -3.097  -0.324
  829   2HB   GLU 108          2HB       GLU 108  23.535  -3.411  -1.096
  830   1HG   GLU 108          1HG       GLU 108  24.393  -1.303  -0.222
  831   2HG   GLU 108          2HG       GLU 108  22.848  -1.001   0.569
  832    H    ALA 109           H        ALA 109  23.823  -3.455  -3.364
  833    HA   ALA 109           HA       ALA 109  25.246  -1.374  -4.822
  834   1HB   ALA 109          1HB       ALA 109  26.736  -3.394  -3.155
  835   2HB   ALA 109          2HB       ALA 109  26.550  -1.686  -2.758
  836   3HB   ALA 109          3HB       ALA 109  27.448  -2.163  -4.199
  837    H    MET 110           H        MET 110  23.453  -3.883  -5.116
  838    HA   MET 110           HA       MET 110  24.711  -4.828  -7.541
  839   1HB   MET 110          1HB       MET 110  25.618  -6.254  -5.634
  840   2HB   MET 110          2HB       MET 110  23.980  -6.857  -5.425
  841   1HG   MET 110          1HG       MET 110  25.210  -8.424  -6.728
  842   2HG   MET 110          2HG       MET 110  24.022  -7.640  -7.771
  843   1HE   MET 110          1HE       MET 110  27.029  -8.297 -10.194
  844   2HE   MET 110          2HE       MET 110  25.320  -8.592  -9.866
  845   3HE   MET 110          3HE       MET 110  26.554  -9.321  -8.840
  Start of MODEL   20
    1    H    ASP   1           H        ASP   1 -17.052 -12.366  -0.932
    2    HA   ASP   1           HA       ASP   1 -16.756  -9.521  -0.082
    3   1HB   ASP   1          1HB       ASP   1 -15.131  -9.269  -1.761
    4   2HB   ASP   1          2HB       ASP   1 -14.666 -10.744  -0.923
    5    H    ASP   2           H        ASP   2 -18.401  -8.396  -0.758
    6    HA   ASP   2           HA       ASP   2 -20.201  -9.230  -2.812
    7   1HB   ASP   2          1HB       ASP   2 -19.788  -6.898  -1.002
    8   2HB   ASP   2          2HB       ASP   2 -21.008  -6.840  -2.259
    9    HA   PRO   3           HA       PRO   3 -18.474  -6.874  -6.190
   10   1HB   PRO   3          1HB       PRO   3 -21.023  -5.580  -6.832
   11   2HB   PRO   3          2HB       PRO   3 -20.137  -6.807  -7.741
   12   1HG   PRO   3          1HG       PRO   3 -22.464  -7.341  -6.476
   13   2HG   PRO   3          2HG       PRO   3 -21.179  -8.550  -6.649
   14   1HD   PRO   3          1HD       PRO   3 -21.877  -6.859  -4.277
   15   2HD   PRO   3          2HD       PRO   3 -21.438  -8.579  -4.346
   16    H    ILE   4           H        ILE   4 -18.327  -5.557  -3.651
   17    HA   ILE   4           HA       ILE   4 -18.670  -2.777  -3.852
   18    HB   ILE   4           HB       ILE   4 -16.874  -4.625  -2.361
   19   1HG1  ILE   4          1HG1      ILE   4 -17.811  -3.253  -0.429
   20   2HG1  ILE   4          2HG1      ILE   4 -18.843  -2.460  -1.618
   21   1HG2  ILE   4          1HG2      ILE   4 -15.311  -2.868  -3.002
   22   2HG2  ILE   4          2HG2      ILE   4 -15.678  -2.773  -1.280
   23   3HG2  ILE   4          3HG2      ILE   4 -16.422  -1.633  -2.403
   24   1HD1  ILE   4          1HD1      ILE   4 -18.765  -5.389  -0.980
   25   2HD1  ILE   4          2HD1      ILE   4 -19.783  -4.634  -2.217
   26   3HD1  ILE   4          3HD1      ILE   4 -20.023  -4.239  -0.513
   27    H    GLY   5           H        GLY   5 -15.963  -4.868  -4.654
   28   1HA   GLY   5          1HA       GLY   5 -14.481  -4.671  -6.478
   29   2HA   GLY   5          2HA       GLY   5 -15.164  -3.084  -6.816
   30    H    LEU   6           H        LEU   6 -14.264  -4.165  -3.733
   31    HA   LEU   6           HA       LEU   6 -13.090  -2.000  -2.703
   32   1HB   LEU   6          1HB       LEU   6 -13.656  -4.410  -1.825
   33   2HB   LEU   6          2HB       LEU   6 -11.945  -4.683  -2.088
   34    HG   LEU   6           HG       LEU   6 -11.404  -2.934  -0.518
   35   1HD1  LEU   6          1HD1      LEU   6 -13.018  -1.673   0.680
   36   2HD1  LEU   6          2HD1      LEU   6 -14.336  -2.639   0.028
   37   3HD1  LEU   6          3HD1      LEU   6 -13.448  -1.537  -1.026
   38   1HD2  LEU   6          1HD2      LEU   6 -12.240  -4.000   1.489
   39   2HD2  LEU   6          2HD2      LEU   6 -11.738  -5.186   0.283
   40   3HD2  LEU   6          3HD2      LEU   6 -13.450  -4.842   0.525
   41    H    PHE   7           H        PHE   7 -11.278  -4.679  -4.177
   42    HA   PHE   7           HA       PHE   7  -8.913  -3.056  -4.305
   43   1HB   PHE   7          1HB       PHE   7  -9.508  -5.831  -4.324
   44   2HB   PHE   7          2HB       PHE   7  -8.640  -5.459  -5.810
   45    HD1  PHE   7           HD1      PHE   7  -7.973  -3.369  -2.928
   46    HD2  PHE   7           HD2      PHE   7  -6.824  -6.907  -4.980
   47    HE1  PHE   7           HE1      PHE   7  -5.841  -3.388  -1.698
   48    HE2  PHE   7           HE2      PHE   7  -4.688  -6.922  -3.771
   49    HZ   PHE   7           HZ       PHE   7  -4.186  -5.167  -2.138
   50    H    VAL   8           H        VAL   8  -9.735  -1.421  -5.596
   51    HA   VAL   8           HA       VAL   8 -10.648  -1.841  -8.260
   52    HB   VAL   8           HB       VAL   8  -9.407   0.672  -7.134
   53   1HG1  VAL   8          1HG1      VAL   8 -11.405   0.267  -9.352
   54   2HG1  VAL   8          2HG1      VAL   8  -9.697   0.643  -9.569
   55   3HG1  VAL   8          3HG1      VAL   8 -10.768   1.816  -8.799
   56   1HG2  VAL   8          1HG2      VAL   8 -12.301  -0.174  -7.045
   57   2HG2  VAL   8          2HG2      VAL   8 -11.639   1.355  -6.465
   58   3HG2  VAL   8          3HG2      VAL   8 -11.203  -0.159  -5.665
   59    H    MET   9           H        MET   9  -7.553  -0.833  -6.857
   60    HA   MET   9           HA       MET   9  -6.234  -2.089  -9.141
   61   1HB   MET   9          1HB       MET   9  -5.578   0.602  -7.997
   62   2HB   MET   9          2HB       MET   9  -4.446  -0.319  -8.970
   63   1HG   MET   9          1HG       MET   9  -7.168   0.557  -9.829
   64   2HG   MET   9          2HG       MET   9  -5.662   1.365 -10.262
   65   1HE   MET   9          1HE       MET   9  -6.602  -0.233 -13.681
   66   2HE   MET   9          2HE       MET   9  -6.162   1.241 -12.817
   67   3HE   MET   9          3HE       MET   9  -7.719   0.469 -12.511
   68    H    ARG  10           H        ARG  10  -4.675  -3.464  -8.530
   69    HA   ARG  10           HA       ARG  10  -3.904  -3.512  -5.737
   70   1HB   ARG  10          1HB       ARG  10  -3.062  -5.402  -7.945
   71   2HB   ARG  10          2HB       ARG  10  -2.863  -5.616  -6.209
   72   1HG   ARG  10          1HG       ARG  10  -5.313  -5.687  -5.960
   73   2HG   ARG  10          2HG       ARG  10  -5.468  -5.571  -7.711
   74   1HD   ARG  10          1HD       ARG  10  -4.464  -7.690  -8.036
   75   2HD   ARG  10          2HD       ARG  10  -3.907  -7.762  -6.365
   76    HE   ARG  10           HE       ARG  10  -6.643  -7.582  -6.221
   77   1HH1  ARG  10          1HH1      ARG  10  -4.384  -9.788  -7.744
   78   2HH1  ARG  10          2HH1      ARG  10  -5.403 -11.183  -7.504
   79   1HH2  ARG  10          1HH2      ARG  10  -7.971  -9.404  -5.910
   80   2HH2  ARG  10          2HH2      ARG  10  -7.435 -10.967  -6.458
   81    HA   PRO  11           HA       PRO  11  -0.364  -1.025  -6.686
   82   1HB   PRO  11          1HB       PRO  11   0.852  -1.461  -4.250
   83   2HB   PRO  11          2HB       PRO  11  -0.369  -0.238  -4.552
   84   1HG   PRO  11          1HG       PRO  11  -0.635  -2.872  -3.277
   85   2HG   PRO  11          2HG       PRO  11  -1.482  -1.367  -2.924
   86   1HD   PRO  11          1HD       PRO  11  -2.603  -3.444  -4.291
   87   2HD   PRO  11          2HD       PRO  11  -3.074  -1.746  -4.525
   88    H    GLN  12           H        GLN  12   1.984  -1.390  -6.866
   89    HA   GLN  12           HA       GLN  12   2.393  -4.210  -7.442
   90   1HB   GLN  12          1HB       GLN  12   1.865  -2.681  -9.352
   91   2HB   GLN  12          2HB       GLN  12   3.386  -1.851  -9.010
   92   1HG   GLN  12          1HG       GLN  12   3.786  -3.376 -10.722
   93   2HG   GLN  12          2HG       GLN  12   4.514  -4.016  -9.256
   94   1HE2  GLN  12          1HE2      GLN  12   3.278  -5.745  -8.072
   95   2HE2  GLN  12          2HE2      GLN  12   2.263  -6.788  -9.015
   96    H    ASP  13           H        ASP  13   4.704  -4.947  -7.500
   97    HA   ASP  13           HA       ASP  13   6.329  -4.223  -5.483
   98   1HB   ASP  13          1HB       ASP  13   7.309  -5.364  -8.091
   99   2HB   ASP  13          2HB       ASP  13   7.771  -5.777  -6.458
  100    H    GLY  14           H        GLY  14   8.666  -4.318  -7.214
  101   1HA   GLY  14          1HA       GLY  14   9.386  -2.333  -8.778
  102   2HA   GLY  14          2HA       GLY  14   9.163  -1.462  -7.274
  103    H    GLU  15           H        GLU  15  11.418  -2.345  -9.047
  104    HA   GLU  15           HA       GLU  15  13.201  -3.321  -6.928
  105   1HB   GLU  15          1HB       GLU  15  13.463  -3.473  -9.935
  106   2HB   GLU  15          2HB       GLU  15  14.799  -3.790  -8.842
  107   1HG   GLU  15          1HG       GLU  15  13.231  -5.555  -7.805
  108   2HG   GLU  15          2HG       GLU  15  12.318  -5.387  -9.305
  109    H    VAL  16           H        VAL  16  14.509  -1.770  -6.094
  110    HA   VAL  16           HA       VAL  16  15.247   0.446  -7.748
  111    HB   VAL  16           HB       VAL  16  14.476   2.042  -6.289
  112   1HG1  VAL  16          1HG1      VAL  16  12.100   1.629  -5.879
  113   2HG1  VAL  16          2HG1      VAL  16  12.371  -0.078  -6.233
  114   3HG1  VAL  16          3HG1      VAL  16  12.620   1.135  -7.488
  115   1HG2  VAL  16          1HG2      VAL  16  15.327   1.149  -4.210
  116   2HG2  VAL  16          2HG2      VAL  16  14.043  -0.060  -4.191
  117   3HG2  VAL  16          3HG2      VAL  16  13.650   1.649  -4.006
  118    H    THR  17           H        THR  17  16.914   1.595  -6.673
  119    HA   THR  17           HA       THR  17  18.774  -0.177  -5.311
  120    HB   THR  17           HB       THR  17  19.594   2.578  -6.003
  121    HG1  THR  17           HG1      THR  17  19.217   2.408  -8.090
  122   1HG2  THR  17          1HG2      THR  17  21.606   1.420  -6.806
  123   2HG2  THR  17          2HG2      THR  17  20.828  -0.131  -6.491
  124   3HG2  THR  17          3HG2      THR  17  21.203   0.954  -5.152
  125    H    VAL  18           H        VAL  18  19.896   0.604  -3.375
  126    HA   VAL  18           HA       VAL  18  18.370   2.083  -1.545
  127    HB   VAL  18           HB       VAL  18  21.322   1.860  -1.345
  128   1HG1  VAL  18          1HG1      VAL  18  20.278   3.296   0.258
  129   2HG1  VAL  18          2HG1      VAL  18  20.871   1.847   1.068
  130   3HG1  VAL  18          3HG1      VAL  18  19.151   2.017   0.712
  131   1HG2  VAL  18          1HG2      VAL  18  20.483  -0.399  -1.823
  132   2HG2  VAL  18          2HG2      VAL  18  19.362  -0.249  -0.466
  133   3HG2  VAL  18          3HG2      VAL  18  21.103  -0.267  -0.178
  134    H    GLY  19           H        GLY  19  17.934   3.905  -1.993
  135   1HA   GLY  19          1HA       GLY  19  18.638   6.228  -1.541
  136   2HA   GLY  19          2HA       GLY  19  20.014   5.902  -2.582
  137    H    GLY  20           H        GLY  20  17.168   4.485  -3.869
  138   1HA   GLY  20          1HA       GLY  20  16.863   6.776  -5.638
  139   2HA   GLY  20          2HA       GLY  20  16.258   5.157  -5.909
  140    H    SER  21           H        SER  21  14.309   5.170  -5.893
  141    HA   SER  21           HA       SER  21  12.775   5.935  -3.649
  142   1HB   SER  21          1HB       SER  21  12.275   7.061  -6.360
  143   2HB   SER  21          2HB       SER  21  11.138   7.144  -5.059
  144    HG   SER  21           HG       SER  21  13.710   8.083  -4.567
  145    H    ILE  22           H        ILE  22  10.551   5.205  -4.008
  146    HA   ILE  22           HA       ILE  22   9.981   3.441  -6.123
  147    HB   ILE  22           HB       ILE  22  10.892   1.982  -4.397
  148   1HG1  ILE  22          1HG1      ILE  22   9.062   0.386  -4.410
  149   2HG1  ILE  22          2HG1      ILE  22   7.965   1.649  -4.922
  150   1HG2  ILE  22          1HG2      ILE  22   8.555   2.894  -2.763
  151   2HG2  ILE  22          2HG2      ILE  22  10.262   3.122  -2.383
  152   3HG2  ILE  22          3HG2      ILE  22   9.566   1.502  -2.378
  153   1HD1  ILE  22          1HD1      ILE  22   8.616   0.242  -6.783
  154   2HD1  ILE  22          2HD1      ILE  22  10.317   0.611  -6.487
  155   3HD1  ILE  22          3HD1      ILE  22   9.210   1.885  -7.001
  156    H    THR  23           H        THR  23   7.869   3.134  -6.287
  157    HA   THR  23           HA       THR  23   6.081   4.838  -4.759
  158    HB   THR  23           HB       THR  23   6.167   5.087  -7.744
  159    HG1  THR  23           HG1      THR  23   7.816   6.165  -6.075
  160   1HG2  THR  23          1HG2      THR  23   3.928   5.423  -6.801
  161   2HG2  THR  23          2HG2      THR  23   4.583   6.956  -7.377
  162   3HG2  THR  23          3HG2      THR  23   4.577   6.591  -5.652
  163    H    PHE  24           H        PHE  24   4.375   3.832  -4.328
  164    HA   PHE  24           HA       PHE  24   3.344   1.746  -6.132
  165   1HB   PHE  24          1HB       PHE  24   2.835   1.878  -3.158
  166   2HB   PHE  24          2HB       PHE  24   2.551   0.545  -4.249
  167    HD1  PHE  24           HD1      PHE  24   4.786  -0.263  -5.496
  168    HD2  PHE  24           HD2      PHE  24   4.592   1.678  -1.723
  169    HE1  PHE  24           HE1      PHE  24   6.981  -1.198  -4.905
  170    HE2  PHE  24           HE2      PHE  24   6.785   0.749  -1.125
  171    HZ   PHE  24           HZ       PHE  24   7.942  -0.766  -2.679
  172    H    SER  25           H        SER  25   1.094   1.743  -6.299
  173    HA   SER  25           HA       SER  25  -0.444   3.861  -5.081
  174   1HB   SER  25          1HB       SER  25  -0.895   3.179  -7.948
  175   2HB   SER  25          2HB       SER  25  -1.346   4.625  -7.073
  176    HG   SER  25           HG       SER  25   1.140   4.777  -6.884
  177    H    ALA  26           H        ALA  26  -2.262   3.149  -4.391
  178    HA   ALA  26           HA       ALA  26  -3.339   0.566  -5.287
  179   1HB   ALA  26          1HB       ALA  26  -2.060   1.038  -2.802
  180   2HB   ALA  26          2HB       ALA  26  -2.879  -0.422  -3.349
  181   3HB   ALA  26          3HB       ALA  26  -3.775   0.817  -2.473
  182    H    ARG  27           H        ARG  27  -5.441   0.718  -5.807
  183    HA   ARG  27           HA       ARG  27  -6.903   3.071  -4.828
  184   1HB   ARG  27          1HB       ARG  27  -7.284   1.408  -7.319
  185   2HB   ARG  27          2HB       ARG  27  -8.293   2.773  -6.864
  186   1HG   ARG  27          1HG       ARG  27  -6.421   4.278  -7.065
  187   2HG   ARG  27          2HG       ARG  27  -5.335   2.925  -7.379
  188   1HD   ARG  27          1HD       ARG  27  -6.574   2.399  -9.419
  189   2HD   ARG  27          2HD       ARG  27  -7.648   3.770  -9.121
  190    HE   ARG  27           HE       ARG  27  -4.767   4.259  -9.388
  191   1HH1  ARG  27          1HH1      ARG  27  -7.995   4.521 -10.730
  192   2HH1  ARG  27          2HH1      ARG  27  -7.559   5.746 -11.880
  193   1HH2  ARG  27          1HH2      ARG  27  -4.182   5.870 -10.889
  194   2HH2  ARG  27          2HH2      ARG  27  -5.376   6.504 -11.987
  195    H    VAL  28           H        VAL  28  -8.561   2.734  -3.462
  196    HA   VAL  28           HA       VAL  28  -9.777   0.085  -3.391
  197    HB   VAL  28           HB       VAL  28  -9.565   1.854  -0.972
  198   1HG1  VAL  28          1HG1      VAL  28 -11.323   0.094  -1.069
  199   2HG1  VAL  28          2HG1      VAL  28 -10.152  -0.150   0.234
  200   3HG1  VAL  28          3HG1      VAL  28 -10.046  -1.112  -1.240
  201   1HG2  VAL  28          1HG2      VAL  28  -7.297   1.404  -1.535
  202   2HG2  VAL  28          2HG2      VAL  28  -7.660  -0.277  -1.913
  203   3HG2  VAL  28          3HG2      VAL  28  -7.734   0.284  -0.243
  204    H    ALA  29           H        ALA  29 -11.740   0.089  -3.755
  205    HA   ALA  29           HA       ALA  29 -13.387   2.156  -4.463
  206   1HB   ALA  29          1HB       ALA  29 -15.196   0.526  -4.369
  207   2HB   ALA  29          2HB       ALA  29 -14.161  -0.565  -3.439
  208   3HB   ALA  29          3HB       ALA  29 -13.749  -0.161  -5.105
  209    H    GLY  30           H        GLY  30 -13.934   3.751  -3.242
  210   1HA   GLY  30          1HA       GLY  30 -14.453   3.931  -0.528
  211   2HA   GLY  30          2HA       GLY  30 -15.252   4.917  -1.749
  212    H    ALA  31           H        ALA  31 -16.951   3.581  -3.011
  213    HA   ALA  31           HA       ALA  31 -18.701   2.177  -3.250
  214   1HB   ALA  31          1HB       ALA  31 -17.601   0.663  -0.906
  215   2HB   ALA  31          2HB       ALA  31 -17.046   0.485  -2.570
  216   3HB   ALA  31          3HB       ALA  31 -18.706   0.064  -2.146
  217    H    SER  32           H        SER  32 -20.458   0.937  -1.809
  218    HA   SER  32           HA       SER  32 -21.515   2.922   0.091
  219   1HB   SER  32          1HB       SER  32 -22.888   2.503  -1.960
  220   2HB   SER  32          2HB       SER  32 -23.024   0.810  -1.492
  221    HG   SER  32           HG       SER  32 -23.947   1.701   0.544
  222    H    LEU  33           H        LEU  33 -19.597   0.722   0.488
  223    HA   LEU  33           HA       LEU  33 -20.592  -1.447   1.861
  224   1HB   LEU  33          1HB       LEU  33 -18.386  -1.659   2.878
  225   2HB   LEU  33          2HB       LEU  33 -18.290  -1.295   1.168
  226    HG   LEU  33           HG       LEU  33 -17.158   0.096   3.458
  227   1HD1  LEU  33          1HD1      LEU  33 -15.556   0.788   1.805
  228   2HD1  LEU  33          2HD1      LEU  33 -16.648   0.342   0.499
  229   3HD1  LEU  33          3HD1      LEU  33 -15.962  -0.907   1.529
  230   1HD2  LEU  33          1HD2      LEU  33 -19.113   1.661   2.739
  231   2HD2  LEU  33          2HD2      LEU  33 -18.087   1.994   1.337
  232   3HD2  LEU  33          3HD2      LEU  33 -17.496   2.320   2.963
  233    H    LEU  34           H        LEU  34 -20.137  -1.864   4.258
  234    HA   LEU  34           HA       LEU  34 -21.997  -0.570   5.829
  235   1HB   LEU  34          1HB       LEU  34 -20.854  -2.768   6.278
  236   2HB   LEU  34          2HB       LEU  34 -19.482  -1.848   6.871
  237    HG   LEU  34           HG       LEU  34 -21.128  -0.769   8.501
  238   1HD1  LEU  34          1HD1      LEU  34 -22.762  -3.157   7.682
  239   2HD1  LEU  34          2HD1      LEU  34 -23.174  -1.465   7.401
  240   3HD1  LEU  34          3HD1      LEU  34 -23.100  -2.093   9.048
  241   1HD2  LEU  34          1HD2      LEU  34 -20.919  -2.633  10.084
  242   2HD2  LEU  34          2HD2      LEU  34 -19.422  -2.378   9.188
  243   3HD2  LEU  34          3HD2      LEU  34 -20.493  -3.709   8.754
  244    H    LYS  35           H        LYS  35 -18.491  -0.193   6.006
  245    HA   LYS  35           HA       LYS  35 -18.804   2.658   6.254
  246   1HB   LYS  35          1HB       LYS  35 -17.224   2.771   8.197
  247   2HB   LYS  35          2HB       LYS  35 -18.793   2.097   8.589
  248   1HG   LYS  35          1HG       LYS  35 -17.214   0.810   9.757
  249   2HG   LYS  35          2HG       LYS  35 -17.714  -0.185   8.389
  250   1HD   LYS  35          1HD       LYS  35 -15.694   0.033   7.319
  251   2HD   LYS  35          2HD       LYS  35 -15.340   1.582   8.081
  252   1HE   LYS  35          1HE       LYS  35 -13.854  -0.137   8.907
  253   2HE   LYS  35          2HE       LYS  35 -14.903   0.445  10.193
  254   1HZ   LYS  35          1HZ       LYS  35 -15.346  -2.057   8.657
  255   2HZ   LYS  35          2HZ       LYS  35 -16.238  -1.524   9.994
  256   3HZ   LYS  35          3HZ       LYS  35 -14.617  -1.974  10.185
  257    HA   PRO  36           HA       PRO  36 -15.465   3.123   3.463
  258   1HB   PRO  36          1HB       PRO  36 -13.959   4.290   5.787
  259   2HB   PRO  36          2HB       PRO  36 -14.054   4.868   4.117
  260   1HG   PRO  36          1HG       PRO  36 -15.533   6.003   6.004
  261   2HG   PRO  36          2HG       PRO  36 -16.215   5.693   4.397
  262   1HD   PRO  36          1HD       PRO  36 -16.733   4.310   6.966
  263   2HD   PRO  36          2HD       PRO  36 -17.796   4.515   5.561
  264    HA   PRO  37           HA       PRO  37 -13.217  -0.642   4.057
  265   1HB   PRO  37          1HB       PRO  37 -11.087   0.254   2.369
  266   2HB   PRO  37          2HB       PRO  37 -12.308  -0.968   2.047
  267   1HG   PRO  37          1HG       PRO  37 -12.136   1.579   0.878
  268   2HG   PRO  37          2HG       PRO  37 -13.476   0.433   0.751
  269   1HD   PRO  37          1HD       PRO  37 -13.359   2.936   2.185
  270   2HD   PRO  37          2HD       PRO  37 -14.751   1.863   1.901
  271    H    VAL  38           H        VAL  38 -11.733  -1.328   5.390
  272    HA   VAL  38           HA       VAL  38  -9.823   0.588   6.465
  273    HB   VAL  38           HB       VAL  38 -10.031  -2.162   7.511
  274   1HG1  VAL  38          1HG1      VAL  38  -8.275  -0.764   8.347
  275   2HG1  VAL  38          2HG1      VAL  38  -9.443  -1.055   9.635
  276   3HG1  VAL  38          3HG1      VAL  38  -9.435   0.490   8.784
  277   1HG2  VAL  38          1HG2      VAL  38 -12.362  -1.473   7.431
  278   2HG2  VAL  38          2HG2      VAL  38 -11.958   0.011   8.295
  279   3HG2  VAL  38          3HG2      VAL  38 -11.790  -1.551   9.096
  280    H    VAL  39           H        VAL  39  -8.267   0.548   5.236
  281    HA   VAL  39           HA       VAL  39  -7.146  -1.933   4.227
  282    HB   VAL  39           HB       VAL  39  -6.295   0.724   3.206
  283   1HG1  VAL  39          1HG1      VAL  39  -5.043  -1.184   2.490
  284   2HG1  VAL  39          2HG1      VAL  39  -5.945  -0.538   1.118
  285   3HG1  VAL  39          3HG1      VAL  39  -6.515  -1.991   1.941
  286   1HG2  VAL  39          1HG2      VAL  39  -8.688  -0.674   2.043
  287   2HG2  VAL  39          2HG2      VAL  39  -8.033   0.902   1.593
  288   3HG2  VAL  39          3HG2      VAL  39  -8.805   0.683   3.162
  289    H    LYS  40           H        LYS  40  -5.598  -2.441   5.494
  290    HA   LYS  40           HA       LYS  40  -3.838  -0.440   6.555
  291   1HB   LYS  40          1HB       LYS  40  -2.991  -2.288   8.007
  292   2HB   LYS  40          2HB       LYS  40  -4.642  -1.817   8.302
  293   1HG   LYS  40          1HG       LYS  40  -4.885  -4.081   8.337
  294   2HG   LYS  40          2HG       LYS  40  -5.119  -3.781   6.616
  295   1HD   LYS  40          1HD       LYS  40  -3.619  -5.622   6.786
  296   2HD   LYS  40          2HD       LYS  40  -2.650  -4.224   6.302
  297   1HE   LYS  40          1HE       LYS  40  -1.968  -3.910   8.638
  298   2HE   LYS  40          2HE       LYS  40  -2.914  -5.325   9.104
  299   1HZ   LYS  40          1HZ       LYS  40  -0.705  -6.055   8.864
  300   2HZ   LYS  40          2HZ       LYS  40  -0.497  -5.234   7.397
  301   3HZ   LYS  40          3HZ       LYS  40  -1.504  -6.596   7.467
  302    H    TRP  41           H        TRP  41  -2.126  -0.150   5.783
  303    HA   TRP  41           HA       TRP  41  -0.980  -1.844   3.784
  304   1HB   TRP  41          1HB       TRP  41  -0.191   0.794   4.979
  305   2HB   TRP  41          2HB       TRP  41   0.836  -0.069   3.838
  306    HD1  TRP  41           HD1      TRP  41  -2.550   1.688   4.064
  307    HE1  TRP  41           HE1      TRP  41  -3.218   2.371   1.640
  308    HE3  TRP  41           HE3      TRP  41   1.107  -0.746   1.466
  309    HZ2  TRP  41           HZ2      TRP  41  -2.392   1.815  -0.974
  310    HZ3  TRP  41           HZ3      TRP  41   1.080  -0.654  -0.992
  311    HH2  TRP  41           HH2      TRP  41  -0.653   0.601  -2.182
  312    H    PHE  42           H        PHE  42   0.965  -2.738   3.846
  313    HA   PHE  42           HA       PHE  42   2.336  -2.958   6.423
  314   1HB   PHE  42          1HB       PHE  42   1.011  -5.082   5.792
  315   2HB   PHE  42          2HB       PHE  42   2.132  -5.238   4.447
  316    HD1  PHE  42           HD1      PHE  42   4.291  -6.116   4.744
  317    HD2  PHE  42           HD2      PHE  42   1.867  -5.227   8.130
  318    HE1  PHE  42           HE1      PHE  42   5.878  -7.312   6.193
  319    HE2  PHE  42           HE2      PHE  42   3.450  -6.427   9.582
  320    HZ   PHE  42           HZ       PHE  42   5.435  -7.490   8.619
  321    H    LYS  43           H        LYS  43   4.547  -2.816   6.152
  322    HA   LYS  43           HA       LYS  43   5.236  -1.840   3.466
  323   1HB   LYS  43          1HB       LYS  43   5.444  -0.099   5.204
  324   2HB   LYS  43          2HB       LYS  43   6.437  -1.168   6.195
  325   1HG   LYS  43          1HG       LYS  43   8.255  -1.004   4.652
  326   2HG   LYS  43          2HG       LYS  43   7.237  -0.169   3.474
  327   1HD   LYS  43          1HD       LYS  43   6.975   1.694   5.057
  328   2HD   LYS  43          2HD       LYS  43   8.045   0.859   6.190
  329   1HE   LYS  43          1HE       LYS  43   9.281   2.532   4.946
  330   2HE   LYS  43          2HE       LYS  43   9.825   0.909   4.519
  331   1HZ   LYS  43          1HZ       LYS  43   7.867   2.455   2.916
  332   2HZ   LYS  43          2HZ       LYS  43   8.618   0.997   2.489
  333   3HZ   LYS  43          3HZ       LYS  43   9.528   2.417   2.593
  334    H    GLY  44           H        GLY  44   7.599  -2.389   2.976
  335   1HA   GLY  44          1HA       GLY  44   8.601  -4.519   2.314
  336   2HA   GLY  44          2HA       GLY  44   9.623  -3.637   3.394
  337    H    LYS  45           H        LYS  45  10.598  -5.791   3.544
  338    HA   LYS  45           HA       LYS  45   9.375  -8.174   3.998
  339   1HB   LYS  45          1HB       LYS  45  12.033  -7.036   4.353
  340   2HB   LYS  45          2HB       LYS  45  11.761  -8.485   5.315
  341   1HG   LYS  45          1HG       LYS  45  11.100  -9.684   3.265
  342   2HG   LYS  45          2HG       LYS  45  11.384  -8.218   2.328
  343   1HD   LYS  45          1HD       LYS  45  13.335  -9.430   2.027
  344   2HD   LYS  45          2HD       LYS  45  13.754  -8.307   3.321
  345   1HE   LYS  45          1HE       LYS  45  14.574 -10.495   3.897
  346   2HE   LYS  45          2HE       LYS  45  13.236 -10.079   4.969
  347   1HZ   LYS  45          1HZ       LYS  45  13.115 -12.380   4.140
  348   2HZ   LYS  45          2HZ       LYS  45  13.000 -11.807   2.553
  349   3HZ   LYS  45          3HZ       LYS  45  11.766 -11.471   3.665
  350    H    TRP  46           H        TRP  46   9.182  -5.779   6.375
  351    HA   TRP  46           HA       TRP  46   8.181  -7.646   8.308
  352   1HB   TRP  46          1HB       TRP  46   9.785  -6.640  10.034
  353   2HB   TRP  46          2HB       TRP  46  10.353  -7.938   9.001
  354    HD1  TRP  46           HD1      TRP  46  11.944  -7.158   6.914
  355    HE1  TRP  46           HE1      TRP  46  13.571  -5.197   6.708
  356    HE3  TRP  46           HE3      TRP  46  10.269  -4.355  10.828
  357    HZ2  TRP  46           HZ2      TRP  46  14.098  -2.755   8.063
  358    HZ3  TRP  46           HZ3      TRP  46  11.389  -2.220  11.317
  359    HH2  TRP  46           HH2      TRP  46  13.260  -1.437   9.964
  360    H    VAL  47           H        VAL  47   8.022  -4.619   7.032
  361    HA   VAL  47           HA       VAL  47   7.873  -3.163   9.449
  362    HB   VAL  47           HB       VAL  47   7.683  -1.486   7.173
  363   1HG1  VAL  47          1HG1      VAL  47   8.591  -0.947   9.393
  364   2HG1  VAL  47          2HG1      VAL  47   9.693  -0.517   8.083
  365   3HG1  VAL  47          3HG1      VAL  47   9.978  -1.974   9.035
  366   1HG2  VAL  47          1HG2      VAL  47   8.680  -3.162   5.781
  367   2HG2  VAL  47          2HG2      VAL  47   9.917  -3.497   6.995
  368   3HG2  VAL  47          3HG2      VAL  47   9.908  -1.951   6.147
  369    H    ASP  48           H        ASP  48   6.483  -1.433   9.393
  370    HA   ASP  48           HA       ASP  48   3.804  -1.909   8.375
  371   1HB   ASP  48          1HB       ASP  48   3.935  -2.102  10.844
  372   2HB   ASP  48          2HB       ASP  48   4.691  -0.517  10.935
  373    H    LEU  49           H        LEU  49   2.807   0.080   7.606
  374    HA   LEU  49           HA       LEU  49   4.733   2.119   6.903
  375   1HB   LEU  49          1HB       LEU  49   1.951   1.530   5.964
  376   2HB   LEU  49          2HB       LEU  49   2.684   3.095   5.677
  377    HG   LEU  49           HG       LEU  49   4.607   1.492   4.658
  378   1HD1  LEU  49          1HD1      LEU  49   3.673  -0.254   3.397
  379   2HD1  LEU  49          2HD1      LEU  49   2.025   0.198   3.835
  380   3HD1  LEU  49          3HD1      LEU  49   3.106  -0.508   5.048
  381   1HD2  LEU  49          1HD2      LEU  49   3.760   2.130   2.542
  382   2HD2  LEU  49          2HD2      LEU  49   3.439   3.438   3.689
  383   3HD2  LEU  49          3HD2      LEU  49   2.140   2.336   3.205
  384    H    SER  50           H        SER  50   1.957   1.756   8.964
  385    HA   SER  50           HA       SER  50   1.126   4.440   8.987
  386   1HB   SER  50          1HB       SER  50  -0.229   2.443   9.736
  387   2HB   SER  50          2HB       SER  50   0.787   2.371  11.172
  388    HG   SER  50           HG       SER  50  -0.862   4.555  10.377
  389    H    SER  51           H        SER  51   3.671   2.703  10.390
  390    HA   SER  51           HA       SER  51   4.182   4.524  12.482
  391   1HB   SER  51          1HB       SER  51   5.696   2.175  11.413
  392   2HB   SER  51          2HB       SER  51   6.183   3.098  12.824
  393    HG   SER  51           HG       SER  51   3.570   2.343  12.936
  394    H    LYS  52           H        LYS  52   5.231   4.063   9.258
  395    HA   LYS  52           HA       LYS  52   7.686   5.597   9.642
  396   1HB   LYS  52          1HB       LYS  52   7.056   4.115   7.156
  397   2HB   LYS  52          2HB       LYS  52   8.588   4.328   7.973
  398   1HG   LYS  52          1HG       LYS  52   6.369   2.519   8.816
  399   2HG   LYS  52          2HG       LYS  52   7.857   2.023   8.012
  400   1HD   LYS  52          1HD       LYS  52   7.809   3.396  10.694
  401   2HD   LYS  52          2HD       LYS  52   7.767   1.642  10.510
  402   1HE   LYS  52          1HE       LYS  52   9.918   1.821   9.222
  403   2HE   LYS  52          2HE       LYS  52   9.967   3.529   9.660
  404   1HZ   LYS  52          1HZ       LYS  52  11.294   2.167  11.174
  405   2HZ   LYS  52          2HZ       LYS  52   9.918   1.261  11.586
  406   3HZ   LYS  52          3HZ       LYS  52  10.001   2.904  11.993
  407    H    VAL  53           H        VAL  53   4.759   5.440   7.980
  408    HA   VAL  53           HA       VAL  53   4.786   7.060   5.886
  409    HB   VAL  53           HB       VAL  53   2.729   6.667   8.048
  410   1HG1  VAL  53          1HG1      VAL  53   2.037   8.775   7.176
  411   2HG1  VAL  53          2HG1      VAL  53   1.084   7.561   6.301
  412   3HG1  VAL  53          3HG1      VAL  53   2.485   8.317   5.531
  413   1HG2  VAL  53          1HG2      VAL  53   3.237   4.781   6.652
  414   2HG2  VAL  53          2HG2      VAL  53   2.929   5.738   5.203
  415   3HG2  VAL  53          3HG2      VAL  53   1.610   5.374   6.318
  416    H    GLY  54           H        GLY  54   6.265   8.512   6.076
  417   1HA   GLY  54          1HA       GLY  54   5.344  11.095   7.058
  418   2HA   GLY  54          2HA       GLY  54   6.875  10.540   7.722
  419    H    GLN  55           H        GLN  55   8.687  11.069   6.615
  420    HA   GLN  55           HA       GLN  55   8.269  12.644   4.201
  421   1HB   GLN  55          1HB       GLN  55   9.619  13.532   6.082
  422   2HB   GLN  55          2HB       GLN  55  10.793  12.250   5.814
  423   1HG   GLN  55          1HG       GLN  55  11.217  13.121   3.563
  424   2HG   GLN  55          2HG       GLN  55  10.061  14.419   3.860
  425   1HE2  GLN  55          1HE2      GLN  55  13.208  13.168   4.583
  426   2HE2  GLN  55          2HE2      GLN  55  13.810  14.582   5.368
  427    H    HIS  56           H        HIS  56   9.784   9.632   5.140
  428    HA   HIS  56           HA       HIS  56  11.083   9.396   2.544
  429   1HB   HIS  56          1HB       HIS  56  12.052   7.320   3.396
  430   2HB   HIS  56          2HB       HIS  56  12.330   8.647   4.513
  431    HD1  HIS  56           HD1      HIS  56  10.413   5.469   4.130
  432    HD2  HIS  56           HD2      HIS  56  11.159   8.352   7.018
  433    HE1  HIS  56           HE1      HIS  56   9.448   4.540   6.254
  434    HE2  HIS  56           HE2      HIS  56   9.894   6.321   8.007
  435    H    LEU  57           H        LEU  57   8.512   7.948   4.334
  436    HA   LEU  57           HA       LEU  57   7.399   6.781   1.887
  437   1HB   LEU  57          1HB       LEU  57   8.101   4.945   3.258
  438   2HB   LEU  57          2HB       LEU  57   7.616   5.717   4.725
  439    HG   LEU  57           HG       LEU  57   6.365   3.647   3.328
  440   1HD1  LEU  57          1HD1      LEU  57   4.728   3.826   5.157
  441   2HD1  LEU  57          2HD1      LEU  57   5.503   5.336   5.638
  442   3HD1  LEU  57          3HD1      LEU  57   6.416   3.829   5.664
  443   1HD2  LEU  57          1HD2      LEU  57   4.076   4.466   2.988
  444   2HD2  LEU  57          2HD2      LEU  57   5.208   5.186   1.849
  445   3HD2  LEU  57          3HD2      LEU  57   4.633   6.121   3.228
  446    H    GLN  58           H        GLN  58   5.980   8.455   1.498
  447    HA   GLN  58           HA       GLN  58   4.077   9.119   3.542
  448   1HB   GLN  58          1HB       GLN  58   4.115   9.918   0.620
  449   2HB   GLN  58          2HB       GLN  58   3.126  10.619   1.892
  450   1HG   GLN  58          1HG       GLN  58   4.721  12.186   1.707
  451   2HG   GLN  58          2HG       GLN  58   5.454  11.192   2.944
  452   1HE2  GLN  58          1HE2      GLN  58   7.280  10.012   2.422
  453   2HE2  GLN  58          2HE2      GLN  58   8.190  10.293   0.981
  454    H    LEU  59           H        LEU  59   2.661   7.631   3.804
  455    HA   LEU  59           HA       LEU  59   1.508   6.204   1.535
  456   1HB   LEU  59          1HB       LEU  59   2.206   4.949   3.689
  457   2HB   LEU  59          2HB       LEU  59   0.932   5.811   4.503
  458    HG   LEU  59           HG       LEU  59   0.731   3.542   2.563
  459   1HD1  LEU  59          1HD1      LEU  59  -0.085   4.266   5.335
  460   2HD1  LEU  59          2HD1      LEU  59   0.795   2.841   4.731
  461   3HD1  LEU  59          3HD1      LEU  59  -0.947   2.994   4.453
  462   1HD2  LEU  59          1HD2      LEU  59  -1.515   5.446   3.224
  463   2HD2  LEU  59          2HD2      LEU  59  -1.659   3.912   2.361
  464   3HD2  LEU  59          3HD2      LEU  59  -0.752   5.252   1.642
  465    H    HIS  60           H        HIS  60   0.418   7.868   0.658
  466    HA   HIS  60           HA       HIS  60  -1.247   9.615   2.131
  467   1HB   HIS  60          1HB       HIS  60  -0.860   9.220  -0.823
  468   2HB   HIS  60          2HB       HIS  60  -1.962  10.377  -0.142
  469    HD1  HIS  60           HD1      HIS  60   0.012  11.496  -1.961
  470    HD2  HIS  60           HD2      HIS  60   0.815  11.018   2.094
  471    HE1  HIS  60           HE1      HIS  60   1.852  13.132  -1.439
  472    HE2  HIS  60           HE2      HIS  60   2.186  12.966   1.058
  473    H    ASP  61           H        ASP  61  -3.345   9.860   1.623
  474    HA   ASP  61           HA       ASP  61  -4.771   7.715   0.362
  475   1HB   ASP  61          1HB       ASP  61  -6.671   8.178   1.919
  476   2HB   ASP  61          2HB       ASP  61  -5.378   7.203   2.549
  477    H    SER  62           H        SER  62  -5.484   8.526  -1.258
  478    HA   SER  62           HA       SER  62  -6.511  11.242  -1.365
  479   1HB   SER  62          1HB       SER  62  -6.598   9.377  -3.693
  480   2HB   SER  62          2HB       SER  62  -6.456  11.128  -3.687
  481    HG   SER  62           HG       SER  62  -4.445   9.248  -2.988
  482    H    TYR  63           H        TYR  63  -8.653  11.617  -2.008
  483    HA   TYR  63           HA       TYR  63 -10.396   9.334  -1.786
  484   1HB   TYR  63          1HB       TYR  63 -10.338   9.887   0.449
  485   2HB   TYR  63          2HB       TYR  63 -10.361  11.623   0.146
  486    HD1  TYR  63           HD1      TYR  63 -12.305  12.597   0.955
  487    HD2  TYR  63           HD2      TYR  63 -12.552   8.753  -0.846
  488    HE1  TYR  63           HE1      TYR  63 -14.743  12.604   1.281
  489    HE2  TYR  63           HE2      TYR  63 -14.989   8.753  -0.529
  490    HH   TYR  63           HH       TYR  63 -16.745  11.507   0.256
  491    H    ASP  64           H        ASP  64 -11.075   9.450  -3.670
  492    HA   ASP  64           HA       ASP  64 -12.573  11.847  -4.471
  493   1HB   ASP  64          1HB       ASP  64 -10.641  11.164  -5.936
  494   2HB   ASP  64          2HB       ASP  64 -11.597   9.756  -6.358
  495    H    ARG  65           H        ARG  65 -14.526  11.627  -4.443
  496    HA   ARG  65           HA       ARG  65 -15.809   9.105  -3.954
  497   1HB   ARG  65          1HB       ARG  65 -16.333  11.752  -3.240
  498   2HB   ARG  65          2HB       ARG  65 -17.653  11.297  -4.318
  499   1HG   ARG  65          1HG       ARG  65 -16.747   9.803  -1.889
  500   2HG   ARG  65          2HG       ARG  65 -18.206  10.794  -2.021
  501   1HD   ARG  65          1HD       ARG  65 -17.797   8.667  -4.040
  502   2HD   ARG  65          2HD       ARG  65 -18.228   8.141  -2.403
  503    HE   ARG  65           HE       ARG  65 -20.159   9.842  -2.729
  504   1HH1  ARG  65          1HH1      ARG  65 -18.764   7.920  -5.310
  505   2HH1  ARG  65          2HH1      ARG  65 -20.258   7.786  -6.190
  506   1HH2  ARG  65          1HH2      ARG  65 -22.121   9.657  -3.885
  507   2HH2  ARG  65          2HH2      ARG  65 -22.152   8.779  -5.383
  508    H    ALA  66           H        ALA  66 -15.651  11.427  -6.507
  509    HA   ALA  66           HA       ALA  66 -17.718  10.402  -8.120
  510   1HB   ALA  66          1HB       ALA  66 -16.690  11.715  -9.934
  511   2HB   ALA  66          2HB       ALA  66 -15.295  12.015  -8.897
  512   3HB   ALA  66          3HB       ALA  66 -16.875  12.657  -8.454
  513    H    SER  67           H        SER  67 -14.385   9.604  -7.678
  514    HA   SER  67           HA       SER  67 -14.492   7.594  -9.792
  515   1HB   SER  67          1HB       SER  67 -12.445   9.024  -9.445
  516   2HB   SER  67          2HB       SER  67 -12.225   8.233  -7.887
  517    HG   SER  67           HG       SER  67 -12.478   6.272  -9.542
  518    H    LYS  68           H        LYS  68 -15.014   8.004  -6.483
  519    HA   LYS  68           HA       LYS  68 -15.621   6.643  -4.766
  520   1HB   LYS  68          1HB       LYS  68 -16.980   5.651  -6.764
  521   2HB   LYS  68          2HB       LYS  68 -15.797   4.358  -6.678
  522   1HG   LYS  68          1HG       LYS  68 -16.437   4.252  -4.179
  523   2HG   LYS  68          2HG       LYS  68 -17.864   5.163  -4.677
  524   1HD   LYS  68          1HD       LYS  68 -18.682   3.055  -4.935
  525   2HD   LYS  68          2HD       LYS  68 -17.952   3.262  -6.530
  526   1HE   LYS  68          1HE       LYS  68 -15.885   2.175  -5.653
  527   2HE   LYS  68          2HE       LYS  68 -16.739   1.855  -4.135
  528   1HZ   LYS  68          1HZ       LYS  68 -17.520   0.856  -6.837
  529   2HZ   LYS  68          2HZ       LYS  68 -18.370   0.565  -5.400
  530   3HZ   LYS  68          3HZ       LYS  68 -16.810  -0.067  -5.601
  531    H    VAL  69           H        VAL  69 -12.942   7.010  -5.385
  532    HA   VAL  69           HA       VAL  69 -11.801   4.461  -4.519
  533    HB   VAL  69           HB       VAL  69 -10.399   6.403  -6.327
  534   1HG1  VAL  69          1HG1      VAL  69  -8.923   5.145  -4.887
  535   2HG1  VAL  69          2HG1      VAL  69  -8.748   4.623  -6.562
  536   3HG1  VAL  69          3HG1      VAL  69  -9.664   3.638  -5.420
  537   1HG2  VAL  69          1HG2      VAL  69 -10.648   4.745  -8.112
  538   2HG2  VAL  69          2HG2      VAL  69 -12.221   5.318  -7.555
  539   3HG2  VAL  69          3HG2      VAL  69 -11.626   3.741  -7.039
  540    H    TYR  70           H        TYR  70 -10.796   4.610  -2.777
  541    HA   TYR  70           HA       TYR  70  -9.502   7.062  -1.908
  542   1HB   TYR  70          1HB       TYR  70  -9.369   4.397  -0.530
  543   2HB   TYR  70          2HB       TYR  70  -8.919   5.944   0.129
  544    HD1  TYR  70           HD1      TYR  70 -10.521   4.451   1.885
  545    HD2  TYR  70           HD2      TYR  70 -11.778   6.710  -1.485
  546    HE1  TYR  70           HE1      TYR  70 -12.755   4.669   2.876
  547    HE2  TYR  70           HE2      TYR  70 -14.024   6.940  -0.504
  548    HH   TYR  70           HH       TYR  70 -15.446   5.795   1.114
  549    H    LEU  71           H        LEU  71  -7.725   7.325  -2.951
  550    HA   LEU  71           HA       LEU  71  -6.188   5.051  -3.871
  551   1HB   LEU  71          1HB       LEU  71  -6.635   6.512  -5.686
  552   2HB   LEU  71          2HB       LEU  71  -6.204   7.930  -4.748
  553    HG   LEU  71           HG       LEU  71  -3.867   7.366  -4.819
  554   1HD1  LEU  71          1HD1      LEU  71  -3.026   5.398  -6.034
  555   2HD1  LEU  71          2HD1      LEU  71  -4.682   4.829  -6.234
  556   3HD1  LEU  71          3HD1      LEU  71  -3.982   4.950  -4.619
  557   1HD2  LEU  71          1HD2      LEU  71  -3.433   7.481  -7.216
  558   2HD2  LEU  71          2HD2      LEU  71  -4.755   8.556  -6.752
  559   3HD2  LEU  71          3HD2      LEU  71  -5.099   7.018  -7.546
  560    H    PHE  72           H        PHE  72  -4.956   4.458  -2.392
  561    HA   PHE  72           HA       PHE  72  -3.517   6.264  -0.705
  562   1HB   PHE  72          1HB       PHE  72  -3.486   3.290  -0.962
  563   2HB   PHE  72          2HB       PHE  72  -2.572   4.165   0.243
  564    HD1  PHE  72           HD1      PHE  72  -5.860   2.964  -0.787
  565    HD2  PHE  72           HD2      PHE  72  -3.719   5.213   2.125
  566    HE1  PHE  72           HE1      PHE  72  -7.804   2.862   0.718
  567    HE2  PHE  72           HE2      PHE  72  -5.660   5.112   3.632
  568    HZ   PHE  72           HZ       PHE  72  -7.699   3.906   2.939
  569    H    GLU  73           H        GLU  73  -1.836   7.106  -1.372
  570    HA   GLU  73           HA       GLU  73  -0.290   5.988  -3.583
  571   1HB   GLU  73          1HB       GLU  73   0.104   8.790  -2.701
  572   2HB   GLU  73          2HB       GLU  73   0.285   8.090  -4.298
  573   1HG   GLU  73          1HG       GLU  73  -2.074   8.111  -4.659
  574   2HG   GLU  73          2HG       GLU  73  -2.379   8.551  -2.977
  575    H    LEU  74           H        LEU  74   1.500   5.181  -3.029
  576    HA   LEU  74           HA       LEU  74   2.801   5.886  -0.545
  577   1HB   LEU  74          1HB       LEU  74   3.489   3.833  -2.629
  578   2HB   LEU  74          2HB       LEU  74   4.415   4.084  -1.169
  579    HG   LEU  74           HG       LEU  74   3.007   2.145  -0.880
  580   1HD1  LEU  74          1HD1      LEU  74   1.789   4.460   0.597
  581   2HD1  LEU  74          2HD1      LEU  74   3.365   3.765   0.976
  582   3HD1  LEU  74          3HD1      LEU  74   1.903   2.784   1.137
  583   1HD2  LEU  74          1HD2      LEU  74   0.584   2.266  -1.010
  584   2HD2  LEU  74          2HD2      LEU  74   1.310   2.677  -2.564
  585   3HD2  LEU  74          3HD2      LEU  74   0.681   3.951  -1.518
  586    H    HIS  75           H        HIS  75   4.188   7.373  -0.625
  587    HA   HIS  75           HA       HIS  75   5.913   7.512  -2.995
  588   1HB   HIS  75          1HB       HIS  75   5.133   9.749  -1.105
  589   2HB   HIS  75          2HB       HIS  75   6.523   9.853  -2.180
  590    HD1  HIS  75           HD1      HIS  75   5.997   9.904  -4.778
  591    HD2  HIS  75           HD2      HIS  75   2.684  10.252  -2.280
  592    HE1  HIS  75           HE1      HIS  75   4.145  10.811  -6.223
  593    HE2  HIS  75           HE2      HIS  75   2.193  11.154  -4.662
  594    H    ILE  76           H        ILE  76   7.242   6.011  -2.342
  595    HA   ILE  76           HA       ILE  76   8.513   6.442   0.264
  596    HB   ILE  76           HB       ILE  76   8.112   3.884  -1.222
  597   1HG1  ILE  76          1HG1      ILE  76   6.801   4.876   1.307
  598   2HG1  ILE  76          2HG1      ILE  76   6.029   4.812  -0.285
  599   1HG2  ILE  76          1HG2      ILE  76   8.938   2.801   0.806
  600   2HG2  ILE  76          2HG2      ILE  76   9.237   4.385   1.518
  601   3HG2  ILE  76          3HG2      ILE  76  10.155   3.866   0.098
  602   1HD1  ILE  76          1HD1      ILE  76   7.008   2.450   1.298
  603   2HD1  ILE  76          2HD1      ILE  76   6.259   2.384  -0.300
  604   3HD1  ILE  76          3HD1      ILE  76   5.331   2.951   1.086
  605    H    THR  77           H        THR  77  10.255   7.424  -0.267
  606    HA   THR  77           HA       THR  77  11.772   6.596  -2.536
  607    HB   THR  77           HB       THR  77  12.777   8.741  -2.570
  608    HG1  THR  77           HG1      THR  77  13.057   9.364  -0.495
  609   1HG2  THR  77          1HG2      THR  77  10.878  10.143  -3.014
  610   2HG2  THR  77          2HG2      THR  77   9.854   9.115  -2.011
  611   3HG2  THR  77          3HG2      THR  77  10.519   8.489  -3.522
  612    H    ASP  78           H        ASP  78  13.887   6.701  -2.331
  613    HA   ASP  78           HA       ASP  78  15.843   5.848  -1.584
  614   1HB   ASP  78          1HB       ASP  78  15.108   7.338   0.874
  615   2HB   ASP  78          2HB       ASP  78  16.703   6.885   0.314
  616    H    ALA  79           H        ALA  79  14.816   3.864  -1.525
  617    HA   ALA  79           HA       ALA  79  13.682   2.659   0.740
  618   1HB   ALA  79          1HB       ALA  79  13.918   0.555  -0.454
  619   2HB   ALA  79          2HB       ALA  79  14.991   1.323  -1.624
  620   3HB   ALA  79          3HB       ALA  79  13.300   1.813  -1.524
  621    H    GLN  80           H        GLN  80  14.630   2.094   2.538
  622    HA   GLN  80           HA       GLN  80  17.368   1.797   3.020
  623   1HB   GLN  80          1HB       GLN  80  15.906   2.090   4.874
  624   2HB   GLN  80          2HB       GLN  80  14.897   0.734   4.384
  625   1HG   GLN  80          1HG       GLN  80  16.005  -0.472   5.859
  626   2HG   GLN  80          2HG       GLN  80  17.379  -0.398   4.754
  627   1HE2  GLN  80          1HE2      GLN  80  19.077   1.029   5.208
  628   2HE2  GLN  80          2HE2      GLN  80  19.264   1.775   6.752
  629    HA   PRO  81           HA       PRO  81  18.306  -1.942   0.880
  630   1HB   PRO  81          1HB       PRO  81  20.498  -2.708   2.325
  631   2HB   PRO  81          2HB       PRO  81  20.518  -1.422   1.113
  632   1HG   PRO  81          1HG       PRO  81  20.297  -1.212   4.093
  633   2HG   PRO  81          2HG       PRO  81  21.276  -0.247   2.971
  634   1HD   PRO  81          1HD       PRO  81  18.959   0.670   3.961
  635   2HD   PRO  81          2HD       PRO  81  19.470   1.037   2.299
  636    H    ALA  82           H        ALA  82  17.165  -1.869   4.011
  637    HA   ALA  82           HA       ALA  82  17.215  -4.791   4.242
  638   1HB   ALA  82          1HB       ALA  82  16.833  -4.480   6.633
  639   2HB   ALA  82          2HB       ALA  82  16.794  -2.731   6.402
  640   3HB   ALA  82          3HB       ALA  82  18.285  -3.624   6.103
  641    H    PHE  83           H        PHE  83  15.274  -2.728   2.831
  642    HA   PHE  83           HA       PHE  83  12.833  -3.314   4.282
  643   1HB   PHE  83          1HB       PHE  83  13.585  -1.590   1.971
  644   2HB   PHE  83          2HB       PHE  83  11.920  -2.083   2.152
  645    HD1  PHE  83           HD1      PHE  83  12.266  -2.061   5.300
  646    HD2  PHE  83           HD2      PHE  83  12.923   0.797   2.204
  647    HE1  PHE  83           HE1      PHE  83  11.902  -0.233   6.907
  648    HE2  PHE  83           HE2      PHE  83  12.550   2.620   3.804
  649    HZ   PHE  83           HZ       PHE  83  12.061   2.199   6.060
  650    H    THR  84           H        THR  84  14.535  -4.388   1.439
  651    HA   THR  84           HA       THR  84  13.476  -5.162  -0.551
  652    HB   THR  84           HB       THR  84  13.888  -7.375   1.412
  653    HG1  THR  84           HG1      THR  84  15.991  -7.307   0.758
  654   1HG2  THR  84          1HG2      THR  84  12.670  -8.210  -0.518
  655   2HG2  THR  84          2HG2      THR  84  14.346  -8.750  -0.635
  656   3HG2  THR  84          3HG2      THR  84  13.785  -7.388  -1.612
  657    H    GLY  85           H        GLY  85  11.511  -4.242  -0.514
  658   1HA   GLY  85          1HA       GLY  85   9.545  -4.254   1.184
  659   2HA   GLY  85          2HA       GLY  85   9.284  -4.051  -0.527
  660    H    GLY  86           H        GLY  86   8.514  -5.622   2.059
  661   1HA   GLY  86          1HA       GLY  86   6.857  -7.257   0.308
  662   2HA   GLY  86          2HA       GLY  86   7.210  -7.719   1.971
  663    H    TYR  87           H        TYR  87   6.026  -5.041   0.121
  664    HA   TYR  87           HA       TYR  87   4.480  -3.919   2.239
  665   1HB   TYR  87          1HB       TYR  87   4.420  -3.435  -0.759
  666   2HB   TYR  87          2HB       TYR  87   3.556  -2.472   0.438
  667    HD1  TYR  87           HD1      TYR  87   6.937  -3.477  -0.708
  668    HD2  TYR  87           HD2      TYR  87   4.644  -0.754   1.624
  669    HE1  TYR  87           HE1      TYR  87   8.930  -2.074  -0.402
  670    HE2  TYR  87           HE2      TYR  87   6.634   0.651   1.936
  671    HH   TYR  87           HH       TYR  87   9.475   0.253   0.122
  672    H    ARG  88           H        ARG  88   2.703  -5.045   2.962
  673    HA   ARG  88           HA       ARG  88   1.157  -6.581   0.982
  674   1HB   ARG  88          1HB       ARG  88   1.521  -6.961   3.963
  675   2HB   ARG  88          2HB       ARG  88   0.286  -7.805   3.044
  676   1HG   ARG  88          1HG       ARG  88   1.953  -8.925   1.728
  677   2HG   ARG  88          2HG       ARG  88   3.238  -7.995   2.503
  678   1HD   ARG  88          1HD       ARG  88   2.874 -10.348   3.379
  679   2HD   ARG  88          2HD       ARG  88   2.905  -9.056   4.578
  680    HE   ARG  88           HE       ARG  88   0.287  -9.255   4.106
  681   1HH1  ARG  88          1HH1      ARG  88   2.667 -11.750   4.726
  682   2HH1  ARG  88          2HH1      ARG  88   1.532 -12.826   5.484
  683   1HH2  ARG  88          1HH2      ARG  88  -1.213 -10.637   5.137
  684   2HH2  ARG  88          2HH2      ARG  88  -0.672 -12.181   5.745
  685    H    CYS  89           H        CYS  89  -0.518  -5.303   0.348
  686    HA   CYS  89           HA       CYS  89  -1.838  -3.618   2.325
  687   1HB   CYS  89          1HB       CYS  89  -2.933  -3.872  -0.403
  688   2HB   CYS  89          2HB       CYS  89  -2.699  -2.434   0.586
  689    HG   CYS  89           HG       CYS  89   0.280  -3.309   0.070
  690    H    GLU  90           H        GLU  90  -3.385  -4.406   3.487
  691    HA   GLU  90           HA       GLU  90  -5.048  -6.550   2.361
  692   1HB   GLU  90          1HB       GLU  90  -4.183  -6.211   5.243
  693   2HB   GLU  90          2HB       GLU  90  -5.167  -7.520   4.612
  694   1HG   GLU  90          1HG       GLU  90  -3.335  -8.390   3.368
  695   2HG   GLU  90          2HG       GLU  90  -2.356  -6.965   3.702
  696    H    VAL  91           H        VAL  91  -6.890  -5.430   1.844
  697    HA   VAL  91           HA       VAL  91  -7.929  -3.505   3.792
  698    HB   VAL  91           HB       VAL  91  -8.007  -2.642   1.553
  699   1HG1  VAL  91          1HG1      VAL  91  -7.923  -4.727   0.303
  700   2HG1  VAL  91          2HG1      VAL  91  -9.270  -3.732  -0.247
  701   3HG1  VAL  91          3HG1      VAL  91  -9.567  -5.112   0.811
  702   1HG2  VAL  91          1HG2      VAL  91 -10.443  -2.254   1.254
  703   2HG2  VAL  91          2HG2      VAL  91  -9.874  -1.975   2.898
  704   3HG2  VAL  91          3HG2      VAL  91 -10.747  -3.458   2.508
  705    H    SER  92           H        SER  92  -9.918  -3.688   4.737
  706    HA   SER  92           HA       SER  92 -11.307  -6.246   4.401
  707   1HB   SER  92          1HB       SER  92  -9.620  -6.530   6.255
  708   2HB   SER  92          2HB       SER  92 -10.453  -5.250   7.134
  709    HG   SER  92           HG       SER  92 -11.428  -7.811   6.416
  710    H    THR  93           H        THR  93 -13.230  -5.550   3.824
  711    HA   THR  93           HA       THR  93 -14.553  -3.565   5.543
  712    HB   THR  93           HB       THR  93 -15.278  -3.603   2.708
  713    HG1  THR  93           HG1      THR  93 -12.779  -3.474   3.147
  714   1HG2  THR  93          1HG2      THR  93 -15.409  -1.169   3.180
  715   2HG2  THR  93          2HG2      THR  93 -14.896  -1.517   4.825
  716   3HG2  THR  93          3HG2      THR  93 -16.421  -2.171   4.216
  717    H    LYS  94           H        LYS  94 -16.779  -3.880   5.688
  718    HA   LYS  94           HA       LYS  94 -18.439  -5.392   6.254
  719   1HB   LYS  94          1HB       LYS  94 -19.666  -5.850   3.908
  720   2HB   LYS  94          2HB       LYS  94 -19.754  -4.345   4.793
  721   1HG   LYS  94          1HG       LYS  94 -19.385  -3.720   2.586
  722   2HG   LYS  94          2HG       LYS  94 -17.813  -3.556   3.346
  723   1HD   LYS  94          1HD       LYS  94 -17.769  -4.526   1.075
  724   2HD   LYS  94          2HD       LYS  94 -17.034  -5.546   2.308
  725   1HE   LYS  94          1HE       LYS  94 -18.509  -6.690   0.588
  726   2HE   LYS  94          2HE       LYS  94 -18.820  -7.062   2.276
  727   1HZ   LYS  94          1HZ       LYS  94 -20.758  -5.777   2.259
  728   2HZ   LYS  94          2HZ       LYS  94 -20.795  -6.677   0.820
  729   3HZ   LYS  94          3HZ       LYS  94 -20.375  -5.025   0.791
  730    H    ASP  95           H        ASP  95 -17.367  -6.702   3.217
  731    HA   ASP  95           HA       ASP  95 -17.171  -9.367   4.252
  732   1HB   ASP  95          1HB       ASP  95 -19.534  -8.930   3.538
  733   2HB   ASP  95          2HB       ASP  95 -18.937  -8.696   1.912
  734    H    LYS  96           H        LYS  96 -16.122  -6.889   2.231
  735    HA   LYS  96           HA       LYS  96 -15.018  -8.700   0.260
  736   1HB   LYS  96          1HB       LYS  96 -15.785  -5.909  -0.057
  737   2HB   LYS  96          2HB       LYS  96 -14.067  -6.099  -0.313
  738   1HG   LYS  96          1HG       LYS  96 -14.671  -8.048  -1.812
  739   2HG   LYS  96          2HG       LYS  96 -16.318  -7.420  -1.736
  740   1HD   LYS  96          1HD       LYS  96 -15.826  -5.589  -2.971
  741   2HD   LYS  96          2HD       LYS  96 -14.158  -5.519  -2.396
  742   1HE   LYS  96          1HE       LYS  96 -14.306  -6.113  -4.767
  743   2HE   LYS  96          2HE       LYS  96 -13.555  -7.379  -3.802
  744   1HZ   LYS  96          1HZ       LYS  96 -16.425  -7.574  -4.244
  745   2HZ   LYS  96          2HZ       LYS  96 -15.253  -8.805  -4.195
  746   3HZ   LYS  96          3HZ       LYS  96 -15.432  -7.846  -5.586
  747    H    PHE  97           H        PHE  97 -13.124  -9.363   0.421
  748    HA   PHE  97           HA       PHE  97 -11.157  -7.846   1.950
  749   1HB   PHE  97          1HB       PHE  97 -11.988  -9.698   3.330
  750   2HB   PHE  97          2HB       PHE  97 -11.514 -10.838   2.078
  751    HD1  PHE  97           HD1      PHE  97 -10.325  -8.605   4.716
  752    HD2  PHE  97           HD2      PHE  97  -9.186 -11.393   1.709
  753    HE1  PHE  97           HE1      PHE  97  -8.075  -8.757   5.709
  754    HE2  PHE  97           HE2      PHE  97  -6.940 -11.551   2.697
  755    HZ   PHE  97           HZ       PHE  97  -6.382 -10.231   4.700
  756    H    ASP  98           H        ASP  98  -9.405  -7.555   0.973
  757    HA   ASP  98           HA       ASP  98  -8.509  -9.300  -1.177
  758   1HB   ASP  98          1HB       ASP  98  -9.019  -6.342  -1.488
  759   2HB   ASP  98          2HB       ASP  98  -7.994  -7.251  -2.580
  760    H    CYS  99           H        CYS  99  -6.330  -9.392  -1.297
  761    HA   CYS  99           HA       CYS  99  -4.787  -7.435   0.221
  762   1HB   CYS  99          1HB       CYS  99  -3.317  -9.293   1.050
  763   2HB   CYS  99          2HB       CYS  99  -4.925  -9.249   1.754
  764    HG   CYS  99           HG       CYS  99  -5.915 -11.429   0.492
  765    H    SER 100           H        SER 100  -2.754  -7.061  -0.526
  766    HA   SER 100           HA       SER 100  -2.084  -8.356  -3.089
  767   1HB   SER 100          1HB       SER 100  -1.630  -6.199  -4.125
  768   2HB   SER 100          2HB       SER 100  -3.258  -6.204  -3.489
  769    HG   SER 100           HG       SER 100  -2.508  -5.042  -1.700
  770    H    ASN 101           H        ASN 101  -0.071  -9.007  -3.213
  771    HA   ASN 101           HA       ASN 101   1.831  -8.012  -1.209
  772   1HB   ASN 101          1HB       ASN 101   2.963 -10.292  -1.604
  773   2HB   ASN 101          2HB       ASN 101   1.489 -10.254  -0.653
  774   1HD2  ASN 101          1HD2      ASN 101   1.639 -10.049  -4.203
  775   2HD2  ASN 101          2HD2      ASN 101   0.862 -11.582  -4.468
  776    H    PHE 102           H        PHE 102   3.459  -6.852  -1.979
  777    HA   PHE 102           HA       PHE 102   4.641  -7.643  -4.507
  778   1HB   PHE 102          1HB       PHE 102   4.697  -5.261  -5.261
  779   2HB   PHE 102          2HB       PHE 102   3.123  -6.043  -5.324
  780    HD1  PHE 102           HD1      PHE 102   5.138  -3.462  -3.781
  781    HD2  PHE 102           HD2      PHE 102   1.384  -5.434  -3.802
  782    HE1  PHE 102           HE1      PHE 102   4.170  -1.620  -2.499
  783    HE2  PHE 102           HE2      PHE 102   0.406  -3.603  -2.528
  784    HZ   PHE 102           HZ       PHE 102   1.793  -1.680  -1.853
  785    H    ASN 103           H        ASN 103   6.745  -6.967  -4.725
  786    HA   ASN 103           HA       ASN 103   7.963  -6.429  -2.157
  787   1HB   ASN 103          1HB       ASN 103   9.899  -7.552  -2.995
  788   2HB   ASN 103          2HB       ASN 103   8.523  -8.574  -3.228
  789   1HD2  ASN 103          1HD2      ASN 103   7.951  -9.130  -5.262
  790   2HD2  ASN 103          2HD2      ASN 103   8.907  -8.738  -6.638
  791    H    LEU 104           H        LEU 104   9.575  -5.129  -1.947
  792    HA   LEU 104           HA       LEU 104  10.317  -3.471  -4.293
  793   1HB   LEU 104          1HB       LEU 104   9.713  -1.708  -3.020
  794   2HB   LEU 104          2HB       LEU 104   9.854  -2.589  -1.499
  795    HG   LEU 104           HG       LEU 104  12.412  -2.224  -2.557
  796   1HD1  LEU 104          1HD1      LEU 104  12.554   0.206  -2.770
  797   2HD1  LEU 104          2HD1      LEU 104  10.794   0.287  -2.665
  798   3HD1  LEU 104          3HD1      LEU 104  11.560  -0.543  -4.021
  799   1HD2  LEU 104          1HD2      LEU 104  12.776  -0.801  -0.577
  800   2HD2  LEU 104          2HD2      LEU 104  11.990  -2.328  -0.187
  801   3HD2  LEU 104          3HD2      LEU 104  11.038  -0.839  -0.273
  802    H    THR 105           H        THR 105  12.075  -4.491  -5.078
  803    HA   THR 105           HA       THR 105  13.907  -5.715  -3.200
  804    HB   THR 105           HB       THR 105  14.224  -5.513  -6.189
  805    HG1  THR 105           HG1      THR 105  12.292  -6.706  -5.455
  806   1HG2  THR 105          1HG2      THR 105  16.282  -5.998  -4.938
  807   2HG2  THR 105          2HG2      THR 105  15.773  -7.376  -5.916
  808   3HG2  THR 105          3HG2      THR 105  15.482  -7.374  -4.175
  809    H    VAL 106           H        VAL 106  14.890  -4.170  -2.129
  810    HA   VAL 106           HA       VAL 106  15.933  -1.848  -3.403
  811    HB   VAL 106           HB       VAL 106  15.059  -1.490  -1.174
  812   1HG1  VAL 106          1HG1      VAL 106  16.979  -3.592  -0.282
  813   2HG1  VAL 106          2HG1      VAL 106  15.211  -3.624  -0.226
  814   3HG1  VAL 106          3HG1      VAL 106  16.104  -2.496   0.794
  815   1HG2  VAL 106          1HG2      VAL 106  17.012  -0.471  -0.082
  816   2HG2  VAL 106          2HG2      VAL 106  16.896  -0.076  -1.801
  817   3HG2  VAL 106          3HG2      VAL 106  18.054  -1.292  -1.246
  818    H    HIS 107           H        HIS 107  17.582  -1.920  -4.398
  819    HA   HIS 107           HA       HIS 107  19.485  -4.046  -4.345
  820   1HB   HIS 107          1HB       HIS 107  19.236  -1.533  -5.997
  821   2HB   HIS 107          2HB       HIS 107  20.639  -2.587  -6.114
  822    HD1  HIS 107           HD1      HIS 107  20.472  -3.991  -8.087
  823    HD2  HIS 107           HD2      HIS 107  16.749  -3.396  -6.335
  824    HE1  HIS 107           HE1      HIS 107  18.832  -5.231  -9.523
  825    HE2  HIS 107           HE2      HIS 107  16.633  -5.065  -8.317
  826    H    GLU 108           H        GLU 108  20.462  -3.955  -2.485
  827    HA   GLU 108           HA       GLU 108  21.998  -1.649  -1.678
  828   1HB   GLU 108          1HB       GLU 108  20.997  -3.048   0.049
  829   2HB   GLU 108          2HB       GLU 108  21.863  -4.456  -0.553
  830   1HG   GLU 108          1HG       GLU 108  23.994  -3.343   0.033
  831   2HG   GLU 108          2HG       GLU 108  23.067  -2.006   0.719
  832    H    ALA 109           H        ALA 109  23.043  -5.026  -1.975
  833    HA   ALA 109           HA       ALA 109  25.582  -4.059  -3.080
  834   1HB   ALA 109          1HB       ALA 109  24.891  -6.716  -1.826
  835   2HB   ALA 109          2HB       ALA 109  25.745  -5.388  -1.039
  836   3HB   ALA 109          3HB       ALA 109  26.488  -6.232  -2.399
  837    H    MET 110           H        MET 110  26.623  -5.872  -4.506
  838    HA   MET 110           HA       MET 110  24.713  -6.427  -6.634
  839   1HB   MET 110          1HB       MET 110  26.681  -6.824  -8.065
  840   2HB   MET 110          2HB       MET 110  26.703  -5.224  -7.342
  841   1HG   MET 110          1HG       MET 110  28.343  -5.959  -5.712
  842   2HG   MET 110          2HG       MET 110  28.285  -7.593  -6.368
  843   1HE   MET 110          1HE       MET 110  29.479  -3.891  -6.940
  844   2HE   MET 110          2HE       MET 110  28.268  -4.108  -8.203
  845   3HE   MET 110          3HE       MET 110  29.970  -3.935  -8.633
  Start of MODEL   21
    1    H    ASP   1           H        ASP   1 -18.102 -11.996   0.295
    2    HA   ASP   1           HA       ASP   1 -17.348  -9.109   0.371
    3   1HB   ASP   1          1HB       ASP   1 -16.778 -11.101  -1.842
    4   2HB   ASP   1          2HB       ASP   1 -16.244  -9.431  -1.704
    5    H    ASP   2           H        ASP   2 -19.065  -8.007  -0.133
    6    HA   ASP   2           HA       ASP   2 -21.125  -8.951  -1.876
    7   1HB   ASP   2          1HB       ASP   2 -20.377  -6.410  -0.471
    8   2HB   ASP   2          2HB       ASP   2 -21.704  -6.445  -1.614
    9    HA   PRO   3           HA       PRO   3 -19.355  -7.309  -5.637
   10   1HB   PRO   3          1HB       PRO   3 -21.314  -5.786  -6.763
   11   2HB   PRO   3          2HB       PRO   3 -21.320  -7.553  -6.778
   12   1HG   PRO   3          1HG       PRO   3 -22.805  -5.662  -5.004
   13   2HG   PRO   3          2HG       PRO   3 -23.351  -7.182  -5.732
   14   1HD   PRO   3          1HD       PRO   3 -22.572  -6.970  -3.135
   15   2HD   PRO   3          2HD       PRO   3 -22.393  -8.460  -4.083
   16    H    ILE   4           H        ILE   4 -17.894  -6.050  -4.292
   17    HA   ILE   4           HA       ILE   4 -18.308  -3.134  -4.542
   18    HB   ILE   4           HB       ILE   4 -16.602  -4.827  -2.737
   19   1HG1  ILE   4          1HG1      ILE   4 -17.563  -3.180  -1.030
   20   2HG1  ILE   4          2HG1      ILE   4 -18.607  -2.596  -2.321
   21   1HG2  ILE   4          1HG2      ILE   4 -15.059  -3.152  -3.608
   22   2HG2  ILE   4          2HG2      ILE   4 -15.459  -2.802  -1.928
   23   3HG2  ILE   4          3HG2      ILE   4 -16.202  -1.863  -3.221
   24   1HD1  ILE   4          1HD1      ILE   4 -19.554  -4.836  -2.541
   25   2HD1  ILE   4          2HD1      ILE   4 -19.764  -4.175  -0.918
   26   3HD1  ILE   4          3HD1      ILE   4 -18.517  -5.387  -1.225
   27    H    GLY   5           H        GLY   5 -15.549  -5.325  -4.466
   28   1HA   GLY   5          1HA       GLY   5 -13.848  -5.580  -6.098
   29   2HA   GLY   5          2HA       GLY   5 -14.562  -4.243  -6.998
   30    H    LEU   6           H        LEU   6 -13.504  -4.738  -3.731
   31    HA   LEU   6           HA       LEU   6 -12.917  -2.152  -3.039
   32   1HB   LEU   6          1HB       LEU   6 -13.027  -4.544  -1.826
   33   2HB   LEU   6          2HB       LEU   6 -11.291  -4.352  -1.906
   34    HG   LEU   6           HG       LEU   6 -11.340  -2.474  -0.493
   35   1HD1  LEU   6          1HD1      LEU   6 -13.386  -1.426  -1.552
   36   2HD1  LEU   6          2HD1      LEU   6 -13.233  -1.269   0.196
   37   3HD1  LEU   6          3HD1      LEU   6 -14.330  -2.467  -0.480
   38   1HD2  LEU   6          1HD2      LEU   6 -12.464  -3.347   1.468
   39   2HD2  LEU   6          2HD2      LEU   6 -11.596  -4.604   0.586
   40   3HD2  LEU   6          3HD2      LEU   6 -13.348  -4.476   0.443
   41    H    PHE   7           H        PHE   7 -10.843  -4.641  -4.393
   42    HA   PHE   7           HA       PHE   7  -8.635  -2.816  -4.651
   43   1HB   PHE   7          1HB       PHE   7  -9.034  -5.684  -4.828
   44   2HB   PHE   7          2HB       PHE   7  -8.014  -5.070  -6.131
   45    HD1  PHE   7           HD1      PHE   7  -8.126  -3.429  -2.854
   46    HD2  PHE   7           HD2      PHE   7  -6.056  -6.202  -5.328
   47    HE1  PHE   7           HE1      PHE   7  -6.201  -3.345  -1.325
   48    HE2  PHE   7           HE2      PHE   7  -4.129  -6.122  -3.817
   49    HZ   PHE   7           HZ       PHE   7  -4.196  -4.694  -1.811
   50    H    VAL   8           H        VAL   8  -9.625  -1.285  -5.892
   51    HA   VAL   8           HA       VAL   8 -10.591  -1.721  -8.529
   52    HB   VAL   8           HB       VAL   8  -9.354   0.813  -7.439
   53   1HG1  VAL   8          1HG1      VAL   8 -11.458   0.383  -9.551
   54   2HG1  VAL   8          2HG1      VAL   8  -9.775   0.825  -9.842
   55   3HG1  VAL   8          3HG1      VAL   8 -10.847   1.941  -8.995
   56   1HG2  VAL   8          1HG2      VAL   8 -11.634   1.426  -6.719
   57   2HG2  VAL   8          2HG2      VAL   8 -10.998   0.030  -5.849
   58   3HG2  VAL   8          3HG2      VAL   8 -12.176  -0.199  -7.140
   59    H    MET   9           H        MET   9  -7.499  -0.736  -7.160
   60    HA   MET   9           HA       MET   9  -6.111  -2.015  -9.364
   61   1HB   MET   9          1HB       MET   9  -6.307   0.380 -10.025
   62   2HB   MET   9          2HB       MET   9  -5.441   0.805  -8.558
   63   1HG   MET   9          1HG       MET   9  -3.521  -0.484  -9.324
   64   2HG   MET   9          2HG       MET   9  -4.379  -0.861 -10.816
   65   1HE   MET   9          1HE       MET   9  -2.442   0.045 -12.289
   66   2HE   MET   9          2HE       MET   9  -1.466   0.497 -10.889
   67   3HE   MET   9          3HE       MET   9  -1.763   1.668 -12.175
   68    H    ARG  10           H        ARG  10  -4.392  -3.069  -8.611
   69    HA   ARG  10           HA       ARG  10  -3.850  -2.769  -5.748
   70   1HB   ARG  10          1HB       ARG  10  -3.222  -5.078  -5.716
   71   2HB   ARG  10          2HB       ARG  10  -4.771  -4.945  -6.521
   72   1HG   ARG  10          1HG       ARG  10  -3.709  -5.206  -8.679
   73   2HG   ARG  10          2HG       ARG  10  -2.119  -5.247  -7.912
   74   1HD   ARG  10          1HD       ARG  10  -3.024  -7.233  -6.573
   75   2HD   ARG  10          2HD       ARG  10  -4.324  -7.278  -7.768
   76    HE   ARG  10           HE       ARG  10  -1.801  -7.227  -9.055
   77   1HH1  ARG  10          1HH1      ARG  10  -3.996  -9.320  -7.333
   78   2HH1  ARG  10          2HH1      ARG  10  -3.358 -10.779  -8.019
   79   1HH2  ARG  10          1HH2      ARG  10  -0.901  -9.143  -9.928
   80   2HH2  ARG  10          2HH2      ARG  10  -1.567 -10.681  -9.463
   81    HA   PRO  11           HA       PRO  11   0.136  -1.156  -6.763
   82   1HB   PRO  11          1HB       PRO  11   1.303  -1.720  -4.316
   83   2HB   PRO  11          2HB       PRO  11   0.366  -0.282  -4.684
   84   1HG   PRO  11          1HG       PRO  11  -0.428  -2.707  -3.240
   85   2HG   PRO  11          2HG       PRO  11  -0.951  -1.043  -2.995
   86   1HD   PRO  11          1HD       PRO  11  -2.488  -2.929  -4.206
   87   2HD   PRO  11          2HD       PRO  11  -2.597  -1.198  -4.581
   88    H    GLN  12           H        GLN  12   2.348  -1.856  -6.944
   89    HA   GLN  12           HA       GLN  12   2.569  -4.778  -7.193
   90   1HB   GLN  12          1HB       GLN  12   3.287  -2.600  -9.126
   91   2HB   GLN  12          2HB       GLN  12   3.808  -4.261  -9.315
   92   1HG   GLN  12          1HG       GLN  12   0.933  -3.416  -9.125
   93   2HG   GLN  12          2HG       GLN  12   1.797  -3.657 -10.645
   94   1HE2  GLN  12          1HE2      GLN  12   0.562  -5.248  -7.773
   95   2HE2  GLN  12          2HE2      GLN  12   0.584  -6.849  -8.430
   96    H    ASP  13           H        ASP  13   4.996  -5.325  -7.766
   97    HA   ASP  13           HA       ASP  13   6.546  -4.608  -5.605
   98   1HB   ASP  13          1HB       ASP  13   8.186  -5.999  -6.968
   99   2HB   ASP  13          2HB       ASP  13   6.703  -6.784  -6.489
  100    H    GLY  14           H        GLY  14   8.925  -4.777  -7.207
  101   1HA   GLY  14          1HA       GLY  14   9.634  -2.858  -8.887
  102   2HA   GLY  14          2HA       GLY  14   9.348  -1.917  -7.440
  103    H    GLU  15           H        GLU  15  11.618  -2.835  -9.144
  104    HA   GLU  15           HA       GLU  15  13.484  -3.636  -7.014
  105   1HB   GLU  15          1HB       GLU  15  13.556  -3.966 -10.015
  106   2HB   GLU  15          2HB       GLU  15  15.034  -4.005  -9.072
  107   1HG   GLU  15          1HG       GLU  15  14.222  -6.234  -9.593
  108   2HG   GLU  15          2HG       GLU  15  14.250  -5.945  -7.864
  109    H    VAL  16           H        VAL  16  14.577  -1.863  -6.219
  110    HA   VAL  16           HA       VAL  16  15.085   0.332  -7.995
  111    HB   VAL  16           HB       VAL  16  14.248   1.896  -6.517
  112   1HG1  VAL  16          1HG1      VAL  16  12.468   0.828  -7.730
  113   2HG1  VAL  16          2HG1      VAL  16  11.911   1.352  -6.140
  114   3HG1  VAL  16          3HG1      VAL  16  12.276  -0.350  -6.429
  115   1HG2  VAL  16          1HG2      VAL  16  15.134   1.105  -4.429
  116   2HG2  VAL  16          2HG2      VAL  16  13.993  -0.247  -4.424
  117   3HG2  VAL  16          3HG2      VAL  16  13.407   1.407  -4.241
  118    H    THR  17           H        THR  17  16.591   1.736  -6.967
  119    HA   THR  17           HA       THR  17  18.702   0.261  -5.619
  120    HB   THR  17           HB       THR  17  19.163   3.058  -6.434
  121    HG1  THR  17           HG1      THR  17  19.534   2.015  -8.684
  122   1HG2  THR  17          1HG2      THR  17  20.680   0.491  -6.887
  123   2HG2  THR  17          2HG2      THR  17  20.969   1.649  -5.587
  124   3HG2  THR  17          3HG2      THR  17  21.270   2.109  -7.264
  125    H    VAL  18           H        VAL  18  19.733   1.178  -3.772
  126    HA   VAL  18           HA       VAL  18  18.054   2.527  -1.947
  127    HB   VAL  18           HB       VAL  18  21.021   2.091  -1.775
  128   1HG1  VAL  18          1HG1      VAL  18  20.793   2.598   0.589
  129   2HG1  VAL  18          2HG1      VAL  18  19.069   2.894   0.369
  130   3HG1  VAL  18          3HG1      VAL  18  20.252   3.961  -0.391
  131   1HG2  VAL  18          1HG2      VAL  18  18.781   0.589  -0.440
  132   2HG2  VAL  18          2HG2      VAL  18  20.509   0.267  -0.261
  133   3HG2  VAL  18          3HG2      VAL  18  19.719   0.000  -1.817
  134    H    GLY  19           H        GLY  19  17.510   4.318  -2.521
  135   1HA   GLY  19          1HA       GLY  19  18.206   6.655  -1.884
  136   2HA   GLY  19          2HA       GLY  19  19.548   6.399  -2.986
  137    H    GLY  20           H        GLY  20  16.924   4.887  -4.385
  138   1HA   GLY  20          1HA       GLY  20  16.285   7.248  -5.952
  139   2HA   GLY  20          2HA       GLY  20  15.826   5.596  -6.299
  140    H    SER  21           H        SER  21  13.912   5.324  -6.127
  141    HA   SER  21           HA       SER  21  12.515   5.885  -3.746
  142   1HB   SER  21          1HB       SER  21  10.591   6.696  -5.148
  143   2HB   SER  21          2HB       SER  21  11.917   7.804  -4.918
  144    HG   SER  21           HG       SER  21  11.066   7.588  -7.128
  145    H    ILE  22           H        ILE  22  10.409   4.907  -3.877
  146    HA   ILE  22           HA       ILE  22   9.851   3.031  -5.936
  147    HB   ILE  22           HB       ILE  22  10.907   1.654  -4.276
  148   1HG1  ILE  22          1HG1      ILE  22   9.048   0.055  -3.924
  149   2HG1  ILE  22          2HG1      ILE  22   7.946   1.281  -4.523
  150   1HG2  ILE  22          1HG2      ILE  22   9.863   1.252  -2.082
  151   2HG2  ILE  22          2HG2      ILE  22   8.785   2.614  -2.391
  152   3HG2  ILE  22          3HG2      ILE  22  10.521   2.881  -2.244
  153   1HD1  ILE  22          1HD1      ILE  22   9.120   1.274  -6.669
  154   2HD1  ILE  22          2HD1      ILE  22   8.486  -0.320  -6.259
  155   3HD1  ILE  22          3HD1      ILE  22  10.204   0.022  -6.064
  156    H    THR  23           H        THR  23   7.725   2.657  -5.999
  157    HA   THR  23           HA       THR  23   6.009   4.505  -4.561
  158    HB   THR  23           HB       THR  23   5.977   4.533  -7.567
  159    HG1  THR  23           HG1      THR  23   7.674   5.755  -5.865
  160   1HG2  THR  23          1HG2      THR  23   4.658   6.279  -5.479
  161   2HG2  THR  23          2HG2      THR  23   3.854   5.118  -6.534
  162   3HG2  THR  23          3HG2      THR  23   4.600   6.559  -7.222
  163    H    PHE  24           H        PHE  24   4.228   3.687  -4.083
  164    HA   PHE  24           HA       PHE  24   3.103   1.505  -5.675
  165   1HB   PHE  24          1HB       PHE  24   2.910   1.810  -2.678
  166   2HB   PHE  24          2HB       PHE  24   2.333   0.478  -3.657
  167    HD1  PHE  24           HD1      PHE  24   4.352  -0.504  -5.236
  168    HD2  PHE  24           HD2      PHE  24   4.758   1.371  -1.442
  169    HE1  PHE  24           HE1      PHE  24   6.488  -1.674  -4.886
  170    HE2  PHE  24           HE2      PHE  24   6.894   0.211  -1.088
  171    HZ   PHE  24           HZ       PHE  24   7.760  -1.320  -2.811
  172    H    SER  25           H        SER  25   0.972   1.659  -6.054
  173    HA   SER  25           HA       SER  25  -0.575   3.708  -4.696
  174   1HB   SER  25          1HB       SER  25  -1.402   3.188  -7.446
  175   2HB   SER  25          2HB       SER  25  -1.242   4.711  -6.592
  176    HG   SER  25           HG       SER  25   0.628   5.002  -7.502
  177    H    ALA  26           H        ALA  26  -2.144   2.849  -3.728
  178    HA   ALA  26           HA       ALA  26  -3.343   0.324  -4.659
  179   1HB   ALA  26          1HB       ALA  26  -4.011   0.078  -2.204
  180   2HB   ALA  26          2HB       ALA  26  -2.900   1.413  -1.873
  181   3HB   ALA  26          3HB       ALA  26  -2.291  -0.078  -2.550
  182    H    ARG  27           H        ARG  27  -5.268   0.681  -5.562
  183    HA   ARG  27           HA       ARG  27  -6.770   3.067  -4.750
  184   1HB   ARG  27          1HB       ARG  27  -6.984   1.365  -7.235
  185   2HB   ARG  27          2HB       ARG  27  -7.977   2.775  -6.895
  186   1HG   ARG  27          1HG       ARG  27  -5.978   4.185  -6.909
  187   2HG   ARG  27          2HG       ARG  27  -4.985   2.768  -7.258
  188   1HD   ARG  27          1HD       ARG  27  -6.245   2.417  -9.336
  189   2HD   ARG  27          2HD       ARG  27  -7.192   3.867  -8.994
  190    HE   ARG  27           HE       ARG  27  -4.528   4.634  -8.961
  191   1HH1  ARG  27          1HH1      ARG  27  -6.837   3.345 -11.257
  192   2HH1  ARG  27          2HH1      ARG  27  -6.026   4.013 -12.643
  193   1HH2  ARG  27          1HH2      ARG  27  -3.453   5.516 -10.786
  194   2HH2  ARG  27          2HH2      ARG  27  -4.107   5.241 -12.378
  195    H    VAL  28           H        VAL  28  -8.473   2.763  -3.444
  196    HA   VAL  28           HA       VAL  28  -9.685   0.115  -3.417
  197    HB   VAL  28           HB       VAL  28  -9.660   2.018  -1.100
  198   1HG1  VAL  28          1HG1      VAL  28 -10.386   0.126   0.183
  199   2HG1  VAL  28          2HG1      VAL  28 -10.142  -0.961  -1.184
  200   3HG1  VAL  28          3HG1      VAL  28 -11.431   0.243  -1.239
  201   1HG2  VAL  28          1HG2      VAL  28  -7.891   0.527  -0.170
  202   2HG2  VAL  28          2HG2      VAL  28  -7.377   1.507  -1.539
  203   3HG2  VAL  28          3HG2      VAL  28  -7.741  -0.205  -1.766
  204    H    ALA  29           H        ALA  29 -11.564   0.039  -3.976
  205    HA   ALA  29           HA       ALA  29 -13.256   2.071  -4.798
  206   1HB   ALA  29          1HB       ALA  29 -13.899  -0.746  -3.932
  207   2HB   ALA  29          2HB       ALA  29 -13.558  -0.200  -5.573
  208   3HB   ALA  29          3HB       ALA  29 -15.030   0.328  -4.754
  209    H    GLY  30           H        GLY  30 -13.798   3.603  -3.470
  210   1HA   GLY  30          1HA       GLY  30 -14.353   3.593  -0.779
  211   2HA   GLY  30          2HA       GLY  30 -15.128   4.672  -1.933
  212    H    ALA  31           H        ALA  31 -16.495   2.851  -3.443
  213    HA   ALA  31           HA       ALA  31 -18.534   1.870  -3.590
  214   1HB   ALA  31          1HB       ALA  31 -17.343   0.136  -1.448
  215   2HB   ALA  31          2HB       ALA  31 -16.854   0.098  -3.143
  216   3HB   ALA  31          3HB       ALA  31 -18.501  -0.345  -2.695
  217    H    SER  32           H        SER  32 -19.507   0.190  -1.255
  218    HA   SER  32           HA       SER  32 -20.667   2.272   0.447
  219   1HB   SER  32          1HB       SER  32 -22.261  -0.001  -0.758
  220   2HB   SER  32          2HB       SER  32 -22.878   1.342   0.205
  221    HG   SER  32           HG       SER  32 -21.803   2.629  -1.621
  222    H    LEU  33           H        LEU  33 -20.766   1.700   2.563
  223    HA   LEU  33           HA       LEU  33 -20.486  -0.998   3.443
  224   1HB   LEU  33          1HB       LEU  33 -18.415  -0.332   4.785
  225   2HB   LEU  33          2HB       LEU  33 -18.211  -0.840   3.134
  226    HG   LEU  33           HG       LEU  33 -16.848   1.165   4.085
  227   1HD1  LEU  33          1HD1      LEU  33 -16.774   2.174   1.862
  228   2HD1  LEU  33          2HD1      LEU  33 -18.229   1.284   1.419
  229   3HD1  LEU  33          3HD1      LEU  33 -16.746   0.410   1.803
  230   1HD2  LEU  33          1HD2      LEU  33 -17.738   3.268   4.130
  231   2HD2  LEU  33          2HD2      LEU  33 -19.101   2.330   4.749
  232   3HD2  LEU  33          3HD2      LEU  33 -19.076   2.854   3.065
  233    H    LEU  34           H        LEU  34 -19.825  -0.871   5.917
  234    HA   LEU  34           HA       LEU  34 -21.685   0.807   7.271
  235   1HB   LEU  34          1HB       LEU  34 -20.968  -1.448   8.089
  236   2HB   LEU  34          2HB       LEU  34 -19.390  -0.766   8.442
  237    HG   LEU  34           HG       LEU  34 -20.674   0.919   9.893
  238   1HD1  LEU  34          1HD1      LEU  34 -22.749  -1.256   9.693
  239   2HD1  LEU  34          2HD1      LEU  34 -22.905   0.389   9.076
  240   3HD1  LEU  34          3HD1      LEU  34 -22.780   0.109  10.812
  241   1HD2  LEU  34          1HD2      LEU  34 -20.464  -1.979  10.681
  242   2HD2  LEU  34          2HD2      LEU  34 -20.643  -0.630  11.802
  243   3HD2  LEU  34          3HD2      LEU  34 -19.195  -0.760  10.803
  244    H    LYS  35           H        LYS  35 -18.153   0.619   7.127
  245    HA   LYS  35           HA       LYS  35 -18.002   3.510   7.327
  246   1HB   LYS  35          1HB       LYS  35 -16.057   3.276   8.948
  247   2HB   LYS  35          2HB       LYS  35 -17.652   2.980   9.616
  248   1HG   LYS  35          1HG       LYS  35 -16.294   1.308  10.529
  249   2HG   LYS  35          2HG       LYS  35 -17.189   0.507   9.241
  250   1HD   LYS  35          1HD       LYS  35 -15.260   0.675   7.767
  251   2HD   LYS  35          2HD       LYS  35 -14.360   1.544   9.012
  252   1HE   LYS  35          1HE       LYS  35 -15.450  -1.249   9.318
  253   2HE   LYS  35          2HE       LYS  35 -13.797  -0.877   8.841
  254   1HZ   LYS  35          1HZ       LYS  35 -14.103  -1.370  11.238
  255   2HZ   LYS  35          2HZ       LYS  35 -15.013   0.053  11.382
  256   3HZ   LYS  35          3HZ       LYS  35 -13.382   0.135  10.930
  257    HA   PRO  36           HA       PRO  36 -15.235   3.489   3.976
  258   1HB   PRO  36          1HB       PRO  36 -13.267   4.806   5.812
  259   2HB   PRO  36          2HB       PRO  36 -13.750   5.257   4.173
  260   1HG   PRO  36          1HG       PRO  36 -14.722   6.568   6.263
  261   2HG   PRO  36          2HG       PRO  36 -15.760   6.180   4.877
  262   1HD   PRO  36          1HD       PRO  36 -15.679   4.960   7.587
  263   2HD   PRO  36          2HD       PRO  36 -17.052   5.170   6.482
  264    HA   PRO  37           HA       PRO  37 -12.939  -0.267   4.243
  265   1HB   PRO  37          1HB       PRO  37 -10.963   0.642   2.432
  266   2HB   PRO  37          2HB       PRO  37 -12.318  -0.434   2.109
  267   1HG   PRO  37          1HG       PRO  37 -12.049   2.438   1.528
  268   2HG   PRO  37          2HG       PRO  37 -13.140   1.240   0.807
  269   1HD   PRO  37          1HD       PRO  37 -13.989   3.183   2.499
  270   2HD   PRO  37          2HD       PRO  37 -14.775   1.591   2.368
  271    H    VAL  38           H        VAL  38 -11.442  -0.933   5.514
  272    HA   VAL  38           HA       VAL  38  -9.381   0.896   6.463
  273    HB   VAL  38           HB       VAL  38  -9.786  -1.770   7.659
  274   1HG1  VAL  38          1HG1      VAL  38  -7.897  -0.471   8.379
  275   2HG1  VAL  38          2HG1      VAL  38  -9.046  -0.624   9.709
  276   3HG1  VAL  38          3HG1      VAL  38  -8.953   0.880   8.794
  277   1HG2  VAL  38          1HG2      VAL  38 -11.415  -0.848   9.295
  278   2HG2  VAL  38          2HG2      VAL  38 -12.054  -0.973   7.654
  279   3HG2  VAL  38          3HG2      VAL  38 -11.537   0.592   8.286
  280    H    VAL  39           H        VAL  39  -7.859   0.665   5.185
  281    HA   VAL  39           HA       VAL  39  -6.961  -1.920   4.229
  282    HB   VAL  39           HB       VAL  39  -5.695   0.589   3.307
  283   1HG1  VAL  39          1HG1      VAL  39  -6.395  -1.979   1.909
  284   2HG1  VAL  39          2HG1      VAL  39  -4.820  -1.542   2.576
  285   3HG1  VAL  39          3HG1      VAL  39  -5.480  -0.644   1.208
  286   1HG2  VAL  39          1HG2      VAL  39  -8.316  -0.323   2.149
  287   2HG2  VAL  39          2HG2      VAL  39  -7.349   1.067   1.648
  288   3HG2  VAL  39          3HG2      VAL  39  -8.126   1.058   3.229
  289    H    LYS  40           H        LYS  40  -5.537  -2.656   5.520
  290    HA   LYS  40           HA       LYS  40  -3.643  -0.927   6.776
  291   1HB   LYS  40          1HB       LYS  40  -2.928  -2.975   8.011
  292   2HB   LYS  40          2HB       LYS  40  -4.551  -2.435   8.348
  293   1HG   LYS  40          1HG       LYS  40  -4.903  -4.676   8.147
  294   2HG   LYS  40          2HG       LYS  40  -5.147  -4.175   6.477
  295   1HD   LYS  40          1HD       LYS  40  -3.754  -6.108   6.416
  296   2HD   LYS  40          2HD       LYS  40  -2.716  -4.724   6.063
  297   1HE   LYS  40          1HE       LYS  40  -1.400  -5.272   7.756
  298   2HE   LYS  40          2HE       LYS  40  -2.756  -5.133   8.875
  299   1HZ   LYS  40          1HZ       LYS  40  -1.528  -7.364   8.692
  300   2HZ   LYS  40          2HZ       LYS  40  -2.410  -7.576   7.254
  301   3HZ   LYS  40          3HZ       LYS  40  -3.222  -7.370   8.730
  302    H    TRP  41           H        TRP  41  -1.979  -0.586   5.973
  303    HA   TRP  41           HA       TRP  41  -0.799  -2.212   3.910
  304   1HB   TRP  41          1HB       TRP  41  -0.086   0.413   5.162
  305   2HB   TRP  41          2HB       TRP  41   0.985  -0.408   4.033
  306    HD1  TRP  41           HD1      TRP  41  -2.507   1.172   4.198
  307    HE1  TRP  41           HE1      TRP  41  -3.083   1.987   1.797
  308    HE3  TRP  41           HE3      TRP  41   1.422  -0.864   1.639
  309    HZ2  TRP  41           HZ2      TRP  41  -2.077   1.699  -0.803
  310    HZ3  TRP  41           HZ3      TRP  41   1.519  -0.585  -0.809
  311    HH2  TRP  41           HH2      TRP  41  -0.206   0.691  -1.990
  312    H    PHE  42           H        PHE  42   1.185  -3.022   3.982
  313    HA   PHE  42           HA       PHE  42   2.547  -3.271   6.553
  314   1HB   PHE  42          1HB       PHE  42   1.260  -5.413   5.842
  315   2HB   PHE  42          2HB       PHE  42   2.416  -5.500   4.520
  316    HD1  PHE  42           HD1      PHE  42   4.565  -6.359   4.826
  317    HD2  PHE  42           HD2      PHE  42   2.102  -5.561   8.200
  318    HE1  PHE  42           HE1      PHE  42   6.169  -7.534   6.269
  319    HE2  PHE  42           HE2      PHE  42   3.700  -6.742   9.653
  320    HZ   PHE  42           HZ       PHE  42   5.686  -7.769   8.710
  321    H    LYS  43           H        LYS  43   4.726  -2.961   6.265
  322    HA   LYS  43           HA       LYS  43   5.404  -2.046   3.553
  323   1HB   LYS  43          1HB       LYS  43   5.625  -0.276   5.238
  324   2HB   LYS  43          2HB       LYS  43   6.586  -1.333   6.278
  325   1HG   LYS  43          1HG       LYS  43   8.481  -1.039   5.054
  326   2HG   LYS  43          2HG       LYS  43   7.604  -0.781   3.546
  327   1HD   LYS  43          1HD       LYS  43   8.222   1.350   3.884
  328   2HD   LYS  43          2HD       LYS  43   6.806   1.380   4.922
  329   1HE   LYS  43          1HE       LYS  43   9.652   0.930   5.786
  330   2HE   LYS  43          2HE       LYS  43   8.723   2.411   6.006
  331   1HZ   LYS  43          1HZ       LYS  43   8.156  -0.222   7.229
  332   2HZ   LYS  43          2HZ       LYS  43   7.182   1.147   7.406
  333   3HZ   LYS  43          3HZ       LYS  43   8.761   1.143   8.020
  334    H    GLY  44           H        GLY  44   7.720  -2.621   2.938
  335   1HA   GLY  44          1HA       GLY  44   8.600  -4.819   2.280
  336   2HA   GLY  44          2HA       GLY  44   9.741  -3.901   3.219
  337    H    LYS  45           H        LYS  45  10.788  -5.921   3.593
  338    HA   LYS  45           HA       LYS  45   9.728  -8.357   4.119
  339   1HB   LYS  45          1HB       LYS  45  12.264  -7.050   4.451
  340   2HB   LYS  45          2HB       LYS  45  12.034  -8.275   5.693
  341   1HG   LYS  45          1HG       LYS  45  11.557  -9.930   3.935
  342   2HG   LYS  45          2HG       LYS  45  11.812  -8.662   2.722
  343   1HD   LYS  45          1HD       LYS  45  13.789 -10.137   3.067
  344   2HD   LYS  45          2HD       LYS  45  14.106  -8.424   3.358
  345   1HE   LYS  45          1HE       LYS  45  15.162  -9.689   5.104
  346   2HE   LYS  45          2HE       LYS  45  13.775  -8.847   5.794
  347   1HZ   LYS  45          1HZ       LYS  45  13.954 -11.721   5.080
  348   2HZ   LYS  45          2HZ       LYS  45  12.510 -10.955   5.522
  349   3HZ   LYS  45          3HZ       LYS  45  13.787 -11.049   6.630
  350    H    TRP  46           H        TRP  46   9.304  -5.854   6.437
  351    HA   TRP  46           HA       TRP  46   8.340  -7.732   8.377
  352   1HB   TRP  46          1HB       TRP  46   9.910  -6.771  10.119
  353   2HB   TRP  46          2HB       TRP  46  10.542  -7.983   9.025
  354    HD1  TRP  46           HD1      TRP  46  12.181  -7.039   7.041
  355    HE1  TRP  46           HE1      TRP  46  13.721  -4.992   6.992
  356    HE3  TRP  46           HE3      TRP  46  10.225  -4.504  11.001
  357    HZ2  TRP  46           HZ2      TRP  46  14.069  -2.583   8.476
  358    HZ3  TRP  46           HZ3      TRP  46  11.205  -2.343  11.627
  359    HH2  TRP  46           HH2      TRP  46  13.078  -1.399  10.395
  360    H    VAL  47           H        VAL  47   8.210  -4.650   7.156
  361    HA   VAL  47           HA       VAL  47   7.982  -3.302   9.624
  362    HB   VAL  47           HB       VAL  47   7.734  -1.502   7.488
  363   1HG1  VAL  47          1HG1      VAL  47   9.951  -2.124   9.409
  364   2HG1  VAL  47          2HG1      VAL  47   8.659  -0.937   9.610
  365   3HG1  VAL  47          3HG1      VAL  47   9.906  -0.689   8.386
  366   1HG2  VAL  47          1HG2      VAL  47  10.064  -3.374   7.077
  367   2HG2  VAL  47          2HG2      VAL  47   9.852  -1.802   6.296
  368   3HG2  VAL  47          3HG2      VAL  47   8.717  -3.106   5.964
  369    H    ASP  48           H        ASP  48   6.587  -1.615   9.683
  370    HA   ASP  48           HA       ASP  48   3.909  -2.024   8.695
  371   1HB   ASP  48          1HB       ASP  48   3.444  -0.437  10.635
  372   2HB   ASP  48          2HB       ASP  48   3.887  -2.071  11.089
  373    H    LEU  49           H        LEU  49   2.909  -0.114   7.872
  374    HA   LEU  49           HA       LEU  49   4.692   2.121   7.369
  375   1HB   LEU  49          1HB       LEU  49   1.966   1.481   6.276
  376   2HB   LEU  49          2HB       LEU  49   2.767   3.018   6.017
  377    HG   LEU  49           HG       LEU  49   4.676   1.418   5.076
  378   1HD1  LEU  49          1HD1      LEU  49   2.163  -0.004   4.256
  379   2HD1  LEU  49          2HD1      LEU  49   3.213  -0.598   5.554
  380   3HD1  LEU  49          3HD1      LEU  49   3.839  -0.440   3.912
  381   1HD2  LEU  49          1HD2      LEU  49   3.831   1.896   2.903
  382   2HD2  LEU  49          2HD2      LEU  49   3.497   3.269   3.959
  383   3HD2  LEU  49          3HD2      LEU  49   2.209   2.132   3.543
  384    H    SER  50           H        SER  50   1.925   1.423   9.344
  385    HA   SER  50           HA       SER  50   0.717   3.933   9.172
  386   1HB   SER  50          1HB       SER  50  -0.407   1.829   9.967
  387   2HB   SER  50          2HB       SER  50   0.506   1.966  11.468
  388    HG   SER  50           HG       SER  50  -1.117   3.162  12.079
  389    H    SER  51           H        SER  51   3.468   2.788  10.817
  390    HA   SER  51           HA       SER  51   3.289   4.917  12.681
  391   1HB   SER  51          1HB       SER  51   4.956   2.453  12.596
  392   2HB   SER  51          2HB       SER  51   5.257   3.737  13.744
  393    HG   SER  51           HG       SER  51   3.390   1.790  13.824
  394    H    LYS  52           H        LYS  52   4.842   4.121   9.873
  395    HA   LYS  52           HA       LYS  52   7.208   5.728  10.370
  396   1HB   LYS  52          1HB       LYS  52   6.971   4.287   7.828
  397   2HB   LYS  52          2HB       LYS  52   8.299   4.354   8.962
  398   1HG   LYS  52          1HG       LYS  52   5.875   2.610   9.157
  399   2HG   LYS  52          2HG       LYS  52   7.500   2.109   8.728
  400   1HD   LYS  52          1HD       LYS  52   6.841   3.343  11.391
  401   2HD   LYS  52          2HD       LYS  52   6.740   1.601  11.091
  402   1HE   LYS  52          1HE       LYS  52   9.108   1.570  10.494
  403   2HE   LYS  52          2HE       LYS  52   9.214   3.313  10.740
  404   1HZ   LYS  52          1HZ       LYS  52  10.052   2.291  12.676
  405   2HZ   LYS  52          2HZ       LYS  52   8.753   1.212  12.783
  406   3HZ   LYS  52          3HZ       LYS  52   8.511   2.862  13.095
  407    H    VAL  53           H        VAL  53   4.590   5.333   8.218
  408    HA   VAL  53           HA       VAL  53   4.697   6.894   6.168
  409    HB   VAL  53           HB       VAL  53   2.445   6.742   8.172
  410   1HG1  VAL  53          1HG1      VAL  53   1.861   8.667   6.928
  411   2HG1  VAL  53          2HG1      VAL  53   1.008   7.324   6.140
  412   3HG1  VAL  53          3HG1      VAL  53   2.491   7.976   5.431
  413   1HG2  VAL  53          1HG2      VAL  53   3.152   4.656   7.123
  414   2HG2  VAL  53          2HG2      VAL  53   2.876   5.376   5.538
  415   3HG2  VAL  53          3HG2      VAL  53   1.523   5.131   6.642
  416    H    GLY  54           H        GLY  54   6.015   8.416   6.204
  417   1HA   GLY  54          1HA       GLY  54   5.109  11.040   7.006
  418   2HA   GLY  54          2HA       GLY  54   6.544  10.511   7.877
  419    H    GLN  55           H        GLN  55   8.387  11.208   7.014
  420    HA   GLN  55           HA       GLN  55   8.343  12.795   4.696
  421   1HB   GLN  55          1HB       GLN  55  10.738  11.736   6.189
  422   2HB   GLN  55          2HB       GLN  55  10.738  13.083   5.058
  423   1HG   GLN  55          1HG       GLN  55   9.254  14.325   6.530
  424   2HG   GLN  55          2HG       GLN  55   9.237  12.971   7.658
  425   1HE2  GLN  55          1HE2      GLN  55  11.052  15.611   6.379
  426   2HE2  GLN  55          2HE2      GLN  55  12.342  15.556   7.531
  427    H    HIS  56           H        HIS  56   9.790   9.571   5.195
  428    HA   HIS  56           HA       HIS  56  10.734   9.599   2.430
  429   1HB   HIS  56          1HB       HIS  56  12.057   7.687   2.989
  430   2HB   HIS  56          2HB       HIS  56  12.206   8.844   4.297
  431    HD1  HIS  56           HD1      HIS  56  10.822   5.479   3.493
  432    HD2  HIS  56           HD2      HIS  56  11.214   8.009   6.764
  433    HE1  HIS  56           HE1      HIS  56  10.223   4.086   5.494
  434    HE2  HIS  56           HE2      HIS  56  10.712   5.567   7.480
  435    H    LEU  57           H        LEU  57   8.500   7.923   4.442
  436    HA   LEU  57           HA       LEU  57   7.299   6.656   2.087
  437   1HB   LEU  57          1HB       LEU  57   8.126   4.922   3.550
  438   2HB   LEU  57          2HB       LEU  57   7.574   5.735   4.973
  439    HG   LEU  57           HG       LEU  57   6.394   3.560   3.600
  440   1HD1  LEU  57          1HD1      LEU  57   4.802   3.678   5.455
  441   2HD1  LEU  57          2HD1      LEU  57   5.483   5.241   5.901
  442   3HD1  LEU  57          3HD1      LEU  57   6.489   3.796   5.953
  443   1HD2  LEU  57          1HD2      LEU  57   5.162   5.024   2.136
  444   2HD2  LEU  57          2HD2      LEU  57   4.620   5.989   3.506
  445   3HD2  LEU  57          3HD2      LEU  57   4.074   4.321   3.333
  446    H    GLN  58           H        GLN  58   5.815   8.310   1.693
  447    HA   GLN  58           HA       GLN  58   3.898   8.875   3.753
  448   1HB   GLN  58          1HB       GLN  58   3.839   9.664   0.832
  449   2HB   GLN  58          2HB       GLN  58   2.837  10.312   2.118
  450   1HG   GLN  58          1HG       GLN  58   4.324  11.971   1.908
  451   2HG   GLN  58          2HG       GLN  58   5.165  11.022   3.112
  452   1HE2  GLN  58          1HE2      GLN  58   7.023   9.982   2.545
  453   2HE2  GLN  58          2HE2      GLN  58   7.866  10.290   1.064
  454    H    LEU  59           H        LEU  59   2.601   7.317   4.063
  455    HA   LEU  59           HA       LEU  59   1.398   5.863   1.839
  456   1HB   LEU  59          1HB       LEU  59   2.190   4.665   4.001
  457   2HB   LEU  59          2HB       LEU  59   0.890   5.487   4.817
  458    HG   LEU  59           HG       LEU  59   0.761   3.210   2.871
  459   1HD1  LEU  59          1HD1      LEU  59   0.873   2.493   5.031
  460   2HD1  LEU  59          2HD1      LEU  59  -0.878   2.583   4.775
  461   3HD1  LEU  59          3HD1      LEU  59  -0.042   3.878   5.656
  462   1HD2  LEU  59          1HD2      LEU  59  -1.655   3.497   2.708
  463   2HD2  LEU  59          2HD2      LEU  59  -0.810   4.864   1.980
  464   3HD2  LEU  59          3HD2      LEU  59  -1.551   5.031   3.572
  465    H    HIS  60           H        HIS  60   0.255   7.481   0.991
  466    HA   HIS  60           HA       HIS  60  -1.402   9.123   2.664
  467   1HB   HIS  60          1HB       HIS  60   0.253  10.257   1.208
  468   2HB   HIS  60          2HB       HIS  60  -0.548   9.574  -0.191
  469    HD1  HIS  60           HD1      HIS  60  -2.086  11.137  -1.287
  470    HD2  HIS  60           HD2      HIS  60  -1.703  11.940   2.780
  471    HE1  HIS  60           HE1      HIS  60  -3.495  13.174  -0.857
  472    HE2  HIS  60           HE2      HIS  60  -3.047  13.777   1.549
  473    H    ASP  61           H        ASP  61  -3.287   9.722   1.754
  474    HA   ASP  61           HA       ASP  61  -4.686   7.679   0.277
  475   1HB   ASP  61          1HB       ASP  61  -6.575   7.904   1.798
  476   2HB   ASP  61          2HB       ASP  61  -5.178   7.155   2.531
  477    H    SER  62           H        SER  62  -5.312   8.514  -1.299
  478    HA   SER  62           HA       SER  62  -6.419  11.196  -1.472
  479   1HB   SER  62          1HB       SER  62  -6.592   9.387  -3.806
  480   2HB   SER  62          2HB       SER  62  -6.164  11.091  -3.744
  481    HG   SER  62           HG       SER  62  -4.479   8.941  -2.944
  482    H    TYR  63           H        TYR  63  -8.600  11.526  -1.967
  483    HA   TYR  63           HA       TYR  63 -10.284   9.220  -1.698
  484   1HB   TYR  63          1HB       TYR  63 -10.284   9.562   0.489
  485   2HB   TYR  63          2HB       TYR  63  -9.826  11.247   0.377
  486    HD1  TYR  63           HD1      TYR  63 -11.418  12.843   1.023
  487    HD2  TYR  63           HD2      TYR  63 -12.747   9.003  -0.238
  488    HE1  TYR  63           HE1      TYR  63 -13.736  13.473   1.561
  489    HE2  TYR  63           HE2      TYR  63 -15.064   9.623   0.293
  490    HH   TYR  63           HH       TYR  63 -16.264  11.194   1.717
  491    H    ASP  64           H        ASP  64 -11.146   9.405  -3.590
  492    HA   ASP  64           HA       ASP  64 -12.917  11.740  -3.860
  493   1HB   ASP  64          1HB       ASP  64 -11.221  11.550  -5.689
  494   2HB   ASP  64          2HB       ASP  64 -12.026  10.066  -6.177
  495    H    ARG  65           H        ARG  65 -14.890  11.384  -3.871
  496    HA   ARG  65           HA       ARG  65 -15.893   8.733  -3.453
  497   1HB   ARG  65          1HB       ARG  65 -16.439  11.170  -2.360
  498   2HB   ARG  65          2HB       ARG  65 -17.800  10.952  -3.457
  499   1HG   ARG  65          1HG       ARG  65 -16.895   8.912  -1.490
  500   2HG   ARG  65          2HG       ARG  65 -18.151  10.108  -1.158
  501   1HD   ARG  65          1HD       ARG  65 -18.251   8.273  -3.535
  502   2HD   ARG  65          2HD       ARG  65 -18.926   7.795  -1.969
  503    HE   ARG  65           HE       ARG  65 -20.118  10.167  -2.374
  504   1HH1  ARG  65          1HH1      ARG  65 -19.648   7.522  -4.649
  505   2HH1  ARG  65          2HH1      ARG  65 -21.174   7.770  -5.423
  506   1HH2  ARG  65          1HH2      ARG  65 -22.108  10.479  -3.427
  507   2HH2  ARG  65          2HH2      ARG  65 -22.573   9.416  -4.730
  508    H    ALA  66           H        ALA  66 -16.341  11.329  -5.745
  509    HA   ALA  66           HA       ALA  66 -18.466  10.247  -7.198
  510   1HB   ALA  66          1HB       ALA  66 -17.878  11.792  -8.971
  511   2HB   ALA  66          2HB       ALA  66 -16.304  12.072  -8.227
  512   3HB   ALA  66          3HB       ALA  66 -17.775  12.587  -7.400
  513    H    SER  67           H        SER  67 -15.029   9.746  -7.446
  514    HA   SER  67           HA       SER  67 -15.387   7.937  -9.712
  515   1HB   SER  67          1HB       SER  67 -12.875   7.755  -9.597
  516   2HB   SER  67          2HB       SER  67 -13.461   9.392  -9.900
  517    HG   SER  67           HG       SER  67 -12.993   9.963  -7.843
  518    H    LYS  68           H        LYS  68 -15.116   8.124  -6.370
  519    HA   LYS  68           HA       LYS  68 -15.613   6.620  -4.756
  520   1HB   LYS  68          1HB       LYS  68 -17.149   5.758  -6.615
  521   2HB   LYS  68          2HB       LYS  68 -15.909   4.547  -6.896
  522   1HG   LYS  68          1HG       LYS  68 -17.363   3.440  -5.504
  523   2HG   LYS  68          2HG       LYS  68 -16.174   4.067  -4.369
  524   1HD   LYS  68          1HD       LYS  68 -18.358   5.928  -4.859
  525   2HD   LYS  68          2HD       LYS  68 -18.903   4.381  -4.205
  526   1HE   LYS  68          1HE       LYS  68 -18.440   6.064  -2.458
  527   2HE   LYS  68          2HE       LYS  68 -17.459   4.608  -2.297
  528   1HZ   LYS  68          1HZ       LYS  68 -16.555   7.197  -3.442
  529   2HZ   LYS  68          2HZ       LYS  68 -15.608   5.805  -3.289
  530   3HZ   LYS  68          3HZ       LYS  68 -16.167   6.601  -1.903
  531    H    VAL  69           H        VAL  69 -12.962   7.117  -5.747
  532    HA   VAL  69           HA       VAL  69 -11.722   4.557  -5.030
  533    HB   VAL  69           HB       VAL  69 -10.259   6.556  -6.688
  534   1HG1  VAL  69          1HG1      VAL  69  -9.996   3.586  -6.285
  535   2HG1  VAL  69          2HG1      VAL  69  -8.965   4.843  -5.600
  536   3HG1  VAL  69          3HG1      VAL  69  -8.969   4.560  -7.341
  537   1HG2  VAL  69          1HG2      VAL  69 -10.852   5.248  -8.713
  538   2HG2  VAL  69          2HG2      VAL  69 -12.241   6.071  -8.001
  539   3HG2  VAL  69          3HG2      VAL  69 -12.016   4.339  -7.743
  540    H    TYR  70           H        TYR  70 -10.733   4.672  -3.276
  541    HA   TYR  70           HA       TYR  70  -9.512   7.163  -2.382
  542   1HB   TYR  70          1HB       TYR  70  -9.777   4.655  -0.771
  543   2HB   TYR  70          2HB       TYR  70  -9.416   6.267  -0.186
  544    HD1  TYR  70           HD1      TYR  70 -11.599   4.512   0.924
  545    HD2  TYR  70           HD2      TYR  70 -11.675   7.452  -2.138
  546    HE1  TYR  70           HE1      TYR  70 -13.955   4.928   1.407
  547    HE2  TYR  70           HE2      TYR  70 -14.057   7.877  -1.664
  548    HH   TYR  70           HH       TYR  70 -16.004   6.710  -0.599
  549    H    LEU  71           H        LEU  71  -7.614   7.278  -3.124
  550    HA   LEU  71           HA       LEU  71  -6.086   4.906  -3.757
  551   1HB   LEU  71          1HB       LEU  71  -6.007   6.438  -5.576
  552   2HB   LEU  71          2HB       LEU  71  -5.641   7.793  -4.513
  553    HG   LEU  71           HG       LEU  71  -3.451   6.729  -3.977
  554   1HD1  LEU  71          1HD1      LEU  71  -4.154   4.807  -6.178
  555   2HD1  LEU  71          2HD1      LEU  71  -4.047   4.421  -4.460
  556   3HD1  LEU  71          3HD1      LEU  71  -2.603   4.920  -5.343
  557   1HD2  LEU  71          1HD2      LEU  71  -3.577   8.460  -5.678
  558   2HD2  LEU  71          2HD2      LEU  71  -3.887   7.233  -6.909
  559   3HD2  LEU  71          3HD2      LEU  71  -2.342   7.258  -6.056
  560    H    PHE  72           H        PHE  72  -5.171   4.178  -2.099
  561    HA   PHE  72           HA       PHE  72  -3.664   5.852  -0.299
  562   1HB   PHE  72          1HB       PHE  72  -4.068   2.908  -0.528
  563   2HB   PHE  72          2HB       PHE  72  -3.013   3.617   0.677
  564    HD1  PHE  72           HD1      PHE  72  -6.498   3.261  -0.447
  565    HD2  PHE  72           HD2      PHE  72  -3.901   4.619   2.636
  566    HE1  PHE  72           HE1      PHE  72  -8.432   3.536   1.052
  567    HE2  PHE  72           HE2      PHE  72  -5.826   4.897   4.142
  568    HZ   PHE  72           HZ       PHE  72  -8.094   4.358   3.355
  569    H    GLU  73           H        GLU  73  -1.871   6.466  -0.925
  570    HA   GLU  73           HA       GLU  73  -0.413   5.020  -3.011
  571   1HB   GLU  73          1HB       GLU  73   0.458   7.354  -3.626
  572   2HB   GLU  73          2HB       GLU  73  -1.173   6.915  -4.107
  573   1HG   GLU  73          1HG       GLU  73  -2.134   8.207  -2.350
  574   2HG   GLU  73          2HG       GLU  73  -0.562   8.460  -1.600
  575    H    LEU  74           H        LEU  74   1.462   4.419  -2.482
  576    HA   LEU  74           HA       LEU  74   2.755   5.511  -0.145
  577   1HB   LEU  74          1HB       LEU  74   3.757   3.415  -2.029
  578   2HB   LEU  74          2HB       LEU  74   4.486   3.841  -0.498
  579    HG   LEU  74           HG       LEU  74   2.296   2.038  -1.110
  580   1HD1  LEU  74          1HD1      LEU  74   3.009   1.147   1.104
  581   2HD1  LEU  74          2HD1      LEU  74   4.202   2.456   1.129
  582   3HD1  LEU  74          3HD1      LEU  74   4.262   1.234  -0.137
  583   1HD2  LEU  74          1HD2      LEU  74   1.987   3.897   1.237
  584   2HD2  LEU  74          2HD2      LEU  74   1.018   2.453   0.936
  585   3HD2  LEU  74          3HD2      LEU  74   0.928   3.824  -0.174
  586    H    HIS  75           H        HIS  75   4.037   7.021  -0.323
  587    HA   HIS  75           HA       HIS  75   5.680   7.216  -2.761
  588   1HB   HIS  75          1HB       HIS  75   5.146   9.419  -0.736
  589   2HB   HIS  75          2HB       HIS  75   6.169   9.555  -2.159
  590    HD1  HIS  75           HD1      HIS  75   4.075  11.603  -1.989
  591    HD2  HIS  75           HD2      HIS  75   3.322   7.889  -3.696
  592    HE1  HIS  75           HE1      HIS  75   2.079  11.934  -3.471
  593    HE2  HIS  75           HE2      HIS  75   1.487   9.628  -4.287
  594    H    ILE  76           H        ILE  76   7.178   5.775  -2.160
  595    HA   ILE  76           HA       ILE  76   8.474   6.317   0.419
  596    HB   ILE  76           HB       ILE  76   8.238   3.631  -0.886
  597   1HG1  ILE  76          1HG1      ILE  76   6.687   4.839   1.405
  598   2HG1  ILE  76          2HG1      ILE  76   6.026   4.147  -0.101
  599   1HG2  ILE  76          1HG2      ILE  76  10.279   3.951   0.478
  600   2HG2  ILE  76          2HG2      ILE  76   9.184   2.775   1.205
  601   3HG2  ILE  76          3HG2      ILE  76   9.261   4.413   1.847
  602   1HD1  ILE  76          1HD1      ILE  76   7.433   2.610   2.075
  603   2HD1  ILE  76          2HD1      ILE  76   6.769   1.940   0.585
  604   3HD1  ILE  76          3HD1      ILE  76   5.696   2.659   1.786
  605    H    THR  77           H        THR  77  10.138   7.308  -0.134
  606    HA   THR  77           HA       THR  77  11.636   6.554  -2.450
  607    HB   THR  77           HB       THR  77  12.329   8.849  -2.645
  608    HG1  THR  77           HG1      THR  77  11.762  10.385  -1.145
  609   1HG2  THR  77          1HG2      THR  77   9.351   8.761  -2.173
  610   2HG2  THR  77          2HG2      THR  77  10.149   8.127  -3.615
  611   3HG2  THR  77          3HG2      THR  77  10.223   9.856  -3.252
  612    H    ASP  78           H        ASP  78  13.708   6.824  -2.344
  613    HA   ASP  78           HA       ASP  78  15.879   6.665  -1.578
  614   1HB   ASP  78          1HB       ASP  78  15.092   8.731  -0.415
  615   2HB   ASP  78          2HB       ASP  78  14.747   7.727   0.968
  616    H    ALA  79           H        ALA  79  14.152   4.657  -1.486
  617    HA   ALA  79           HA       ALA  79  13.759   3.070   0.674
  618   1HB   ALA  79          1HB       ALA  79  13.013   2.430  -1.554
  619   2HB   ALA  79          2HB       ALA  79  13.939   1.118  -0.813
  620   3HB   ALA  79          3HB       ALA  79  14.680   2.141  -2.046
  621    H    GLN  80           H        GLN  80  14.983   2.261   2.158
  622    HA   GLN  80           HA       GLN  80  17.868   2.383   1.852
  623   1HB   GLN  80          1HB       GLN  80  17.892   1.929   4.276
  624   2HB   GLN  80          2HB       GLN  80  16.871   3.301   3.875
  625   1HG   GLN  80          1HG       GLN  80  15.436   0.786   3.936
  626   2HG   GLN  80          2HG       GLN  80  16.176   1.218   5.481
  627   1HE2  GLN  80          1HE2      GLN  80  15.162   3.572   3.108
  628   2HE2  GLN  80          2HE2      GLN  80  13.870   4.234   4.055
  629    HA   PRO  81           HA       PRO  81  18.320  -1.727   0.801
  630   1HB   PRO  81          1HB       PRO  81  20.498  -2.658   2.159
  631   2HB   PRO  81          2HB       PRO  81  20.608  -1.494   0.834
  632   1HG   PRO  81          1HG       PRO  81  20.658  -1.015   3.785
  633   2HG   PRO  81          2HG       PRO  81  21.650  -0.273   2.517
  634   1HD   PRO  81          1HD       PRO  81  19.512   0.966   3.628
  635   2HD   PRO  81          2HD       PRO  81  20.009   1.237   1.947
  636    H    ALA  82           H        ALA  82  17.487  -1.111   3.978
  637    HA   ALA  82           HA       ALA  82  17.118  -3.920   4.662
  638   1HB   ALA  82          1HB       ALA  82  17.918  -2.342   6.391
  639   2HB   ALA  82          2HB       ALA  82  16.402  -3.124   6.838
  640   3HB   ALA  82          3HB       ALA  82  16.400  -1.458   6.255
  641    H    PHE  83           H        PHE  83  15.621  -2.021   2.604
  642    HA   PHE  83           HA       PHE  83  12.911  -2.315   3.598
  643   1HB   PHE  83          1HB       PHE  83  14.308  -0.619   1.667
  644   2HB   PHE  83          2HB       PHE  83  12.770  -1.207   1.085
  645    HD1  PHE  83           HD1      PHE  83  12.277  -0.937   4.529
  646    HD2  PHE  83           HD2      PHE  83  12.858   1.466   1.056
  647    HE1  PHE  83           HE1      PHE  83  11.145   0.920   5.626
  648    HE2  PHE  83           HE2      PHE  83  11.711   3.328   2.163
  649    HZ   PHE  83           HZ       PHE  83  10.853   3.062   4.450
  650    H    THR  84           H        THR  84  15.082  -3.824   1.429
  651    HA   THR  84           HA       THR  84  13.543  -4.941  -0.472
  652    HB   THR  84           HB       THR  84  15.795  -6.318   0.988
  653    HG1  THR  84           HG1      THR  84  16.851  -5.832  -1.099
  654   1HG2  THR  84          1HG2      THR  84  15.722  -7.989  -0.713
  655   2HG2  THR  84          2HG2      THR  84  14.536  -7.074  -1.643
  656   3HG2  THR  84          3HG2      THR  84  14.073  -7.804  -0.102
  657    H    GLY  85           H        GLY  85  11.747  -5.503  -0.041
  658   1HA   GLY  85          1HA       GLY  85  11.311  -8.066   1.164
  659   2HA   GLY  85          2HA       GLY  85  10.765  -6.787   2.234
  660    H    GLY  86           H        GLY  86   8.714  -6.638   2.163
  661   1HA   GLY  86          1HA       GLY  86   7.348  -6.508  -0.349
  662   2HA   GLY  86          2HA       GLY  86   7.002  -7.939   0.593
  663    H    TYR  87           H        TYR  87   6.068  -5.019  -0.140
  664    HA   TYR  87           HA       TYR  87   4.811  -4.178   2.334
  665   1HB   TYR  87          1HB       TYR  87   4.615  -3.131  -0.515
  666   2HB   TYR  87          2HB       TYR  87   4.002  -2.329   0.925
  667    HD1  TYR  87           HD1      TYR  87   7.221  -3.819  -0.215
  668    HD2  TYR  87           HD2      TYR  87   5.322  -0.501   1.656
  669    HE1  TYR  87           HE1      TYR  87   9.385  -2.699   0.033
  670    HE2  TYR  87           HE2      TYR  87   7.482   0.611   1.903
  671    HH   TYR  87           HH       TYR  87   9.852   0.030   1.985
  672    H    ARG  88           H        ARG  88   2.732  -4.936   2.840
  673    HA   ARG  88           HA       ARG  88   1.258  -6.225   0.642
  674   1HB   ARG  88          1HB       ARG  88   1.711  -7.213   3.439
  675   2HB   ARG  88          2HB       ARG  88   0.326  -7.747   2.500
  676   1HG   ARG  88          1HG       ARG  88   2.093  -8.350   0.698
  677   2HG   ARG  88          2HG       ARG  88   3.230  -8.281   2.047
  678   1HD   ARG  88          1HD       ARG  88   2.347 -10.560   1.648
  679   2HD   ARG  88          2HD       ARG  88   1.955  -9.943   3.256
  680    HE   ARG  88           HE       ARG  88  -0.121  -9.355   1.417
  681   1HH1  ARG  88          1HH1      ARG  88   1.246 -12.058   3.169
  682   2HH1  ARG  88          2HH1      ARG  88  -0.276 -12.876   3.351
  683   1HH2  ARG  88          1HH2      ARG  88  -2.118 -10.420   1.647
  684   2HH2  ARG  88          2HH2      ARG  88  -2.201 -11.933   2.489
  685    H    CYS  89           H        CYS  89  -0.665  -5.425   0.273
  686    HA   CYS  89           HA       CYS  89  -1.935  -3.789   2.340
  687   1HB   CYS  89          1HB       CYS  89  -3.026  -4.186  -0.420
  688   2HB   CYS  89          2HB       CYS  89  -3.262  -2.832   0.670
  689    HG   CYS  89           HG       CYS  89  -0.324  -2.332   0.391
  690    H    GLU  90           H        GLU  90  -3.580  -4.536   3.473
  691    HA   GLU  90           HA       GLU  90  -5.298  -6.570   2.230
  692   1HB   GLU  90          1HB       GLU  90  -4.443  -6.455   5.133
  693   2HB   GLU  90          2HB       GLU  90  -5.677  -7.529   4.496
  694   1HG   GLU  90          1HG       GLU  90  -4.006  -8.629   3.102
  695   2HG   GLU  90          2HG       GLU  90  -2.767  -7.538   3.724
  696    H    VAL  91           H        VAL  91  -7.035  -5.285   1.735
  697    HA   VAL  91           HA       VAL  91  -7.887  -3.346   3.740
  698    HB   VAL  91           HB       VAL  91  -7.843  -2.430   1.535
  699   1HG1  VAL  91          1HG1      VAL  91  -8.009  -4.444   0.203
  700   2HG1  VAL  91          2HG1      VAL  91  -9.268  -3.310  -0.290
  701   3HG1  VAL  91          3HG1      VAL  91  -9.671  -4.687   0.735
  702   1HG2  VAL  91          1HG2      VAL  91  -9.632  -1.613   2.942
  703   2HG2  VAL  91          2HG2      VAL  91 -10.682  -2.929   2.423
  704   3HG2  VAL  91          3HG2      VAL  91 -10.187  -1.690   1.270
  705    H    SER  92           H        SER  92  -9.744  -3.403   4.777
  706    HA   SER  92           HA       SER  92 -11.407  -5.797   4.468
  707   1HB   SER  92          1HB       SER  92 -10.384  -4.743   7.125
  708   2HB   SER  92          2HB       SER  92 -11.419  -6.154   6.885
  709    HG   SER  92           HG       SER  92  -9.213  -6.347   5.359
  710    H    THR  93           H        THR  93 -13.239  -4.979   3.881
  711    HA   THR  93           HA       THR  93 -14.388  -2.759   5.428
  712    HB   THR  93           HB       THR  93 -15.037  -3.057   2.556
  713    HG1  THR  93           HG1      THR  93 -12.617  -2.959   3.018
  714   1HG2  THR  93          1HG2      THR  93 -14.790  -0.732   4.450
  715   2HG2  THR  93          2HG2      THR  93 -16.283  -1.456   3.837
  716   3HG2  THR  93          3HG2      THR  93 -15.202  -0.589   2.742
  717    H    LYS  94           H        LYS  94 -16.721  -2.785   5.396
  718    HA   LYS  94           HA       LYS  94 -18.460  -4.142   6.185
  719   1HB   LYS  94          1HB       LYS  94 -19.700  -4.781   3.892
  720   2HB   LYS  94          2HB       LYS  94 -19.685  -3.175   4.589
  721   1HG   LYS  94          1HG       LYS  94 -19.212  -2.772   2.369
  722   2HG   LYS  94          2HG       LYS  94 -17.611  -2.788   3.094
  723   1HD   LYS  94          1HD       LYS  94 -17.803  -3.974   0.912
  724   2HD   LYS  94          2HD       LYS  94 -17.149  -4.941   2.230
  725   1HE   LYS  94          1HE       LYS  94 -18.813  -6.087   0.724
  726   2HE   LYS  94          2HE       LYS  94 -19.142  -6.173   2.452
  727   1HZ   LYS  94          1HZ       LYS  94 -20.854  -4.580   2.249
  728   2HZ   LYS  94          2HZ       LYS  94 -21.085  -5.722   1.015
  729   3HZ   LYS  94          3HZ       LYS  94 -20.424  -4.199   0.652
  730    H    ASP  95           H        ASP  95 -17.572  -5.881   3.284
  731    HA   ASP  95           HA       ASP  95 -17.313  -8.366   4.682
  732   1HB   ASP  95          1HB       ASP  95 -19.747  -7.762   3.800
  733   2HB   ASP  95          2HB       ASP  95 -19.089  -8.387   2.301
  734    H    LYS  96           H        LYS  96 -16.188  -6.241   2.457
  735    HA   LYS  96           HA       LYS  96 -15.416  -8.233   0.513
  736   1HB   LYS  96          1HB       LYS  96 -15.766  -5.285   0.258
  737   2HB   LYS  96          2HB       LYS  96 -14.428  -6.001  -0.556
  738   1HG   LYS  96          1HG       LYS  96 -17.129  -7.176  -0.867
  739   2HG   LYS  96          2HG       LYS  96 -16.665  -5.729  -1.768
  740   1HD   LYS  96          1HD       LYS  96 -15.361  -8.435  -1.822
  741   2HD   LYS  96          2HD       LYS  96 -16.171  -7.596  -3.146
  742   1HE   LYS  96          1HE       LYS  96 -14.399  -5.766  -2.770
  743   2HE   LYS  96          2HE       LYS  96 -13.521  -7.013  -1.887
  744   1HZ   LYS  96          1HZ       LYS  96 -14.389  -7.107  -4.703
  745   2HZ   LYS  96          2HZ       LYS  96 -13.676  -8.409  -3.885
  746   3HZ   LYS  96          3HZ       LYS  96 -12.787  -6.987  -4.137
  747    H    PHE  97           H        PHE  97 -13.507  -8.808   0.275
  748    HA   PHE  97           HA       PHE  97 -11.370  -7.477   1.764
  749   1HB   PHE  97          1HB       PHE  97 -12.288  -9.535   2.849
  750   2HB   PHE  97          2HB       PHE  97 -11.648 -10.455   1.497
  751    HD1  PHE  97           HD1      PHE  97 -10.795  -8.554   4.503
  752    HD2  PHE  97           HD2      PHE  97  -9.257 -10.746   1.190
  753    HE1  PHE  97           HE1      PHE  97  -8.594  -8.670   5.603
  754    HE2  PHE  97           HE2      PHE  97  -7.058 -10.867   2.288
  755    HZ   PHE  97           HZ       PHE  97  -6.723  -9.827   4.486
  756    H    ASP  98           H        ASP  98  -9.649  -7.127   0.702
  757    HA   ASP  98           HA       ASP  98  -8.891  -8.775  -1.562
  758   1HB   ASP  98          1HB       ASP  98  -9.418  -5.818  -1.786
  759   2HB   ASP  98          2HB       ASP  98  -8.292  -6.627  -2.858
  760    H    CYS  99           H        CYS  99  -6.693  -8.850  -1.853
  761    HA   CYS  99           HA       CYS  99  -5.076  -7.234  -0.040
  762   1HB   CYS  99          1HB       CYS  99  -3.851  -9.240   0.721
  763   2HB   CYS  99          2HB       CYS  99  -5.539  -9.250   1.217
  764    HG   CYS  99           HG       CYS  99  -5.695 -11.735   0.509
  765    H    SER 100           H        SER 100  -2.894  -7.143  -0.537
  766    HA   SER 100           HA       SER 100  -2.120  -8.301  -3.104
  767   1HB   SER 100          1HB       SER 100  -2.726  -6.097  -3.729
  768   2HB   SER 100          2HB       SER 100  -1.787  -5.378  -2.425
  769    HG   SER 100           HG       SER 100  -0.453  -5.239  -4.124
  770    H    ASN 101           H        ASN 101  -0.030  -8.550  -3.453
  771    HA   ASN 101           HA       ASN 101   1.786  -8.243  -1.188
  772   1HB   ASN 101          1HB       ASN 101   2.682 -10.614  -1.844
  773   2HB   ASN 101          2HB       ASN 101   1.284 -10.470  -0.789
  774   1HD2  ASN 101          1HD2      ASN 101   1.371 -10.090  -4.321
  775   2HD2  ASN 101          2HD2      ASN 101   0.345 -11.447  -4.652
  776    H    PHE 102           H        PHE 102   3.383  -7.022  -1.915
  777    HA   PHE 102           HA       PHE 102   4.481  -7.561  -4.554
  778   1HB   PHE 102          1HB       PHE 102   4.444  -5.110  -5.062
  779   2HB   PHE 102          2HB       PHE 102   2.872  -5.891  -5.082
  780    HD1  PHE 102           HD1      PHE 102   4.940  -3.363  -3.558
  781    HD2  PHE 102           HD2      PHE 102   1.271  -5.483  -3.231
  782    HE1  PHE 102           HE1      PHE 102   4.088  -1.645  -2.036
  783    HE2  PHE 102           HE2      PHE 102   0.414  -3.750  -1.695
  784    HZ   PHE 102           HZ       PHE 102   1.830  -1.834  -1.101
  785    H    ASN 103           H        ASN 103   6.613  -7.252  -4.619
  786    HA   ASN 103           HA       ASN 103   7.836  -6.728  -2.060
  787   1HB   ASN 103          1HB       ASN 103   9.757  -7.974  -3.152
  788   2HB   ASN 103          2HB       ASN 103   8.351  -8.911  -2.764
  789   1HD2  ASN 103          1HD2      ASN 103  10.343  -7.660  -5.219
  790   2HD2  ASN 103          2HD2      ASN 103   9.608  -8.502  -6.527
  791    H    LEU 104           H        LEU 104   9.708  -5.629  -1.949
  792    HA   LEU 104           HA       LEU 104  10.428  -4.042  -4.314
  793   1HB   LEU 104          1HB       LEU 104   9.804  -2.264  -3.056
  794   2HB   LEU 104          2HB       LEU 104  10.003  -3.110  -1.527
  795    HG   LEU 104           HG       LEU 104  12.512  -2.755  -2.717
  796   1HD1  LEU 104          1HD1      LEU 104  10.906  -0.234  -2.665
  797   2HD1  LEU 104          2HD1      LEU 104  11.574  -1.024  -4.095
  798   3HD1  LEU 104          3HD1      LEU 104  12.653  -0.330  -2.882
  799   1HD2  LEU 104          1HD2      LEU 104  11.228  -1.410  -0.374
  800   2HD2  LEU 104          2HD2      LEU 104  12.955  -1.414  -0.727
  801   3HD2  LEU 104          3HD2      LEU 104  12.130  -2.932  -0.345
  802    H    THR 105           H        THR 105  12.316  -4.594  -5.030
  803    HA   THR 105           HA       THR 105  14.233  -5.724  -3.115
  804    HB   THR 105           HB       THR 105  14.619  -5.592  -6.088
  805    HG1  THR 105           HG1      THR 105  12.969  -6.951  -6.183
  806   1HG2  THR 105          1HG2      THR 105  15.737  -7.374  -3.928
  807   2HG2  THR 105          2HG2      THR 105  16.591  -6.077  -4.762
  808   3HG2  THR 105          3HG2      THR 105  16.093  -7.517  -5.651
  809    H    VAL 106           H        VAL 106  15.032  -3.955  -2.126
  810    HA   VAL 106           HA       VAL 106  15.905  -1.695  -3.664
  811    HB   VAL 106           HB       VAL 106  14.888  -1.312  -1.461
  812   1HG1  VAL 106          1HG1      VAL 106  15.523  -3.243  -0.344
  813   2HG1  VAL 106          2HG1      VAL 106  16.092  -1.833   0.561
  814   3HG1  VAL 106          3HG1      VAL 106  17.222  -2.785  -0.414
  815   1HG2  VAL 106          1HG2      VAL 106  16.362   0.378  -2.335
  816   2HG2  VAL 106          2HG2      VAL 106  17.749  -0.459  -1.633
  817   3HG2  VAL 106          3HG2      VAL 106  16.528   0.262  -0.584
  818    H    HIS 107           H        HIS 107  17.642  -1.616  -4.513
  819    HA   HIS 107           HA       HIS 107  19.766  -3.527  -4.063
  820   1HB   HIS 107          1HB       HIS 107  19.353  -1.513  -6.283
  821   2HB   HIS 107          2HB       HIS 107  20.691  -2.650  -6.197
  822    HD1  HIS 107           HD1      HIS 107  19.819  -5.279  -6.095
  823    HD2  HIS 107           HD2      HIS 107  17.279  -2.423  -7.739
  824    HE1  HIS 107           HE1      HIS 107  18.151  -6.557  -7.472
  825    HE2  HIS 107           HE2      HIS 107  16.840  -4.794  -8.691
  826    H    GLU 108           H        GLU 108  20.803  -2.801  -2.328
  827    HA   GLU 108           HA       GLU 108  21.904  -0.180  -2.100
  828   1HB   GLU 108          1HB       GLU 108  21.625  -1.873  -0.203
  829   2HB   GLU 108          2HB       GLU 108  23.071  -2.657  -0.828
  830   1HG   GLU 108          1HG       GLU 108  24.045  -0.215  -0.663
  831   2HG   GLU 108          2HG       GLU 108  22.764  -0.034   0.530
  832    H    ALA 109           H        ALA 109  23.571  -3.261  -2.598
  833    HA   ALA 109           HA       ALA 109  25.330  -1.965  -4.556
  834   1HB   ALA 109          1HB       ALA 109  26.181  -3.930  -2.421
  835   2HB   ALA 109          2HB       ALA 109  26.528  -2.200  -2.428
  836   3HB   ALA 109          3HB       ALA 109  27.218  -3.241  -3.671
  837    H    MET 110           H        MET 110  26.715  -4.027  -5.494
  838    HA   MET 110           HA       MET 110  24.713  -6.043  -6.266
  839   1HB   MET 110          1HB       MET 110  26.908  -4.835  -7.964
  840   2HB   MET 110          2HB       MET 110  25.868  -6.162  -8.463
  841   1HG   MET 110          1HG       MET 110  23.922  -4.714  -8.313
  842   2HG   MET 110          2HG       MET 110  24.938  -3.389  -7.757
  843   1HE   MET 110          1HE       MET 110  22.917  -3.123 -10.179
  844   2HE   MET 110          2HE       MET 110  23.893  -2.244 -11.356
  845   3HE   MET 110          3HE       MET 110  23.960  -1.801  -9.650
  Start of MODEL   22
    1    H    ASP   1           H        ASP   1 -18.551 -11.376   1.433
    2    HA   ASP   1           HA       ASP   1 -17.268  -9.611   0.468
    3   1HB   ASP   1          1HB       ASP   1 -16.527 -11.698  -1.621
    4   2HB   ASP   1          2HB       ASP   1 -16.118  -9.991  -1.698
    5    H    ASP   2           H        ASP   2 -18.820  -8.333  -0.270
    6    HA   ASP   2           HA       ASP   2 -20.799  -9.194  -2.166
    7   1HB   ASP   2          1HB       ASP   2 -20.135  -6.805  -0.528
    8   2HB   ASP   2          2HB       ASP   2 -21.236  -6.617  -1.879
    9    HA   PRO   3           HA       PRO   3 -18.720  -7.362  -5.687
   10   1HB   PRO   3          1HB       PRO   3 -20.593  -5.990  -7.037
   11   2HB   PRO   3          2HB       PRO   3 -20.619  -7.753  -6.922
   12   1HG   PRO   3          1HG       PRO   3 -22.215  -5.733  -5.392
   13   2HG   PRO   3          2HG       PRO   3 -22.733  -7.282  -6.080
   14   1HD   PRO   3          1HD       PRO   3 -22.103  -6.915  -3.434
   15   2HD   PRO   3          2HD       PRO   3 -21.982  -8.473  -4.276
   16    H    ILE   4           H        ILE   4 -17.943  -5.978  -3.617
   17    HA   ILE   4           HA       ILE   4 -18.292  -3.131  -3.841
   18    HB   ILE   4           HB       ILE   4 -16.372  -4.948  -2.401
   19   1HG1  ILE   4          1HG1      ILE   4 -17.266  -3.727  -0.413
   20   2HG1  ILE   4          2HG1      ILE   4 -18.303  -2.790  -1.483
   21   1HG2  ILE   4          1HG2      ILE   4 -14.981  -3.099  -3.174
   22   2HG2  ILE   4          2HG2      ILE   4 -15.252  -2.982  -1.436
   23   3HG2  ILE   4          3HG2      ILE   4 -16.142  -1.932  -2.535
   24   1HD1  ILE   4          1HD1      ILE   4 -19.470  -4.786  -2.140
   25   2HD1  ILE   4          2HD1      ILE   4 -19.491  -4.606  -0.384
   26   3HD1  ILE   4          3HD1      ILE   4 -18.394  -5.764  -1.144
   27    H    GLY   5           H        GLY   5 -15.518  -5.234  -4.333
   28   1HA   GLY   5          1HA       GLY   5 -14.018  -5.242  -6.185
   29   2HA   GLY   5          2HA       GLY   5 -14.765  -3.750  -6.748
   30    H    LEU   6           H        LEU   6 -13.676  -4.680  -3.630
   31    HA   LEU   6           HA       LEU   6 -12.909  -2.246  -2.686
   32   1HB   LEU   6          1HB       LEU   6 -13.209  -4.661  -1.685
   33   2HB   LEU   6          2HB       LEU   6 -11.469  -4.716  -1.865
   34    HG   LEU   6           HG       LEU   6 -11.173  -2.950  -0.312
   35   1HD1  LEU   6          1HD1      LEU   6 -12.847  -1.608   0.617
   36   2HD1  LEU   6          2HD1      LEU   6 -14.125  -2.663   0.040
   37   3HD1  LEU   6          3HD1      LEU   6 -13.230  -1.658  -1.105
   38   1HD2  LEU   6          1HD2      LEU   6 -11.512  -5.126   0.612
   39   2HD2  LEU   6          2HD2      LEU   6 -13.258  -4.892   0.591
   40   3HD2  LEU   6          3HD2      LEU   6 -12.251  -3.919   1.664
   41    H    PHE   7           H        PHE   7 -10.837  -4.745  -4.106
   42    HA   PHE   7           HA       PHE   7  -8.714  -2.816  -4.406
   43   1HB   PHE   7          1HB       PHE   7  -8.962  -5.703  -4.498
   44   2HB   PHE   7          2HB       PHE   7  -7.960  -5.075  -5.808
   45    HD1  PHE   7           HD1      PHE   7  -7.859  -2.908  -3.012
   46    HD2  PHE   7           HD2      PHE   7  -6.290  -6.558  -4.515
   47    HE1  PHE   7           HE1      PHE   7  -5.944  -2.718  -1.470
   48    HE2  PHE   7           HE2      PHE   7  -4.381  -6.374  -3.002
   49    HZ   PHE   7           HZ       PHE   7  -4.197  -4.462  -1.471
   50    H    VAL   8           H        VAL   8  -9.764  -1.382  -5.683
   51    HA   VAL   8           HA       VAL   8 -10.877  -1.952  -8.228
   52    HB   VAL   8           HB       VAL   8  -9.645   0.667  -7.353
   53   1HG1  VAL   8          1HG1      VAL   8 -11.292   1.668  -8.849
   54   2HG1  VAL   8          2HG1      VAL   8 -11.883   0.061  -9.284
   55   3HG1  VAL   8          3HG1      VAL   8 -10.243   0.548  -9.719
   56   1HG2  VAL   8          1HG2      VAL   8 -11.173  -0.127  -5.613
   57   2HG2  VAL   8          2HG2      VAL   8 -12.433  -0.356  -6.822
   58   3HG2  VAL   8          3HG2      VAL   8 -11.840   1.265  -6.463
   59    H    MET   9           H        MET   9  -7.719  -0.971  -7.083
   60    HA   MET   9           HA       MET   9  -6.486  -2.286  -9.361
   61   1HB   MET   9          1HB       MET   9  -6.595   0.102 -10.031
   62   2HB   MET   9          2HB       MET   9  -5.722   0.521  -8.570
   63   1HG   MET   9          1HG       MET   9  -4.184   0.522 -10.388
   64   2HG   MET   9          2HG       MET   9  -3.834  -0.861  -9.351
   65   1HE   MET   9          1HE       MET   9  -5.988  -1.165 -13.425
   66   2HE   MET   9          2HE       MET   9  -5.390   0.345 -12.737
   67   3HE   MET   9          3HE       MET   9  -6.754  -0.485 -11.990
   68    H    ARG  10           H        ARG  10  -4.699  -3.356  -8.727
   69    HA   ARG  10           HA       ARG  10  -4.159  -3.237  -5.869
   70   1HB   ARG  10          1HB       ARG  10  -3.346  -5.365  -7.852
   71   2HB   ARG  10          2HB       ARG  10  -3.220  -5.448  -6.098
   72   1HG   ARG  10          1HG       ARG  10  -5.710  -5.222  -6.000
   73   2HG   ARG  10          2HG       ARG  10  -5.722  -5.407  -7.753
   74   1HD   ARG  10          1HD       ARG  10  -4.940  -7.611  -7.644
   75   2HD   ARG  10          2HD       ARG  10  -4.385  -7.424  -5.978
   76    HE   ARG  10           HE       ARG  10  -6.901  -7.160  -5.509
   77   1HH1  ARG  10          1HH1      ARG  10  -5.582  -9.217  -7.997
   78   2HH1  ARG  10          2HH1      ARG  10  -6.840 -10.403  -7.874
   79   1HH2  ARG  10          1HH2      ARG  10  -8.566  -8.714  -5.307
   80   2HH2  ARG  10          2HH2      ARG  10  -8.540 -10.123  -6.341
   81    HA   PRO  11           HA       PRO  11  -0.335  -1.116  -6.502
   82   1HB   PRO  11          1HB       PRO  11   0.806  -1.915  -4.105
   83   2HB   PRO  11          2HB       PRO  11  -0.256  -0.529  -4.311
   84   1HG   PRO  11          1HG       PRO  11  -0.859  -3.218  -3.292
   85   2HG   PRO  11          2HG       PRO  11  -1.526  -1.663  -2.798
   86   1HD   PRO  11          1HD       PRO  11  -2.900  -3.411  -4.341
   87   2HD   PRO  11          2HD       PRO  11  -3.086  -1.652  -4.493
   88    H    GLN  12           H        GLN  12   1.877  -1.583  -6.864
   89    HA   GLN  12           HA       GLN  12   2.377  -4.436  -7.366
   90   1HB   GLN  12          1HB       GLN  12   2.834  -2.015  -9.057
   91   2HB   GLN  12          2HB       GLN  12   3.576  -3.574  -9.408
   92   1HG   GLN  12          1HG       GLN  12   0.611  -3.094  -9.193
   93   2HG   GLN  12          2HG       GLN  12   1.515  -3.177 -10.706
   94   1HE2  GLN  12          1HE2      GLN  12   0.438  -5.021  -7.901
   95   2HE2  GLN  12          2HE2      GLN  12   0.630  -6.575  -8.641
   96    H    ASP  13           H        ASP  13   4.756  -4.796  -7.935
   97    HA   ASP  13           HA       ASP  13   6.255  -4.231  -5.692
   98   1HB   ASP  13          1HB       ASP  13   7.897  -5.548  -7.078
   99   2HB   ASP  13          2HB       ASP  13   6.367  -6.323  -6.773
  100    H    GLY  14           H        GLY  14   8.660  -4.346  -7.315
  101   1HA   GLY  14          1HA       GLY  14   9.364  -2.278  -8.854
  102   2HA   GLY  14          2HA       GLY  14   9.193  -1.488  -7.306
  103    H    GLU  15           H        GLU  15  11.333  -2.333  -9.243
  104    HA   GLU  15           HA       GLU  15  13.309  -3.392  -7.340
  105   1HB   GLU  15          1HB       GLU  15  13.065  -3.457 -10.315
  106   2HB   GLU  15          2HB       GLU  15  14.684  -3.370  -9.641
  107   1HG   GLU  15          1HG       GLU  15  14.134  -5.647 -10.108
  108   2HG   GLU  15          2HG       GLU  15  14.216  -5.426  -8.367
  109    H    VAL  16           H        VAL  16  14.466  -1.743  -6.339
  110    HA   VAL  16           HA       VAL  16  15.156   0.546  -7.914
  111    HB   VAL  16           HB       VAL  16  14.330   2.065  -6.432
  112   1HG1  VAL  16          1HG1      VAL  16  12.514   0.979  -7.629
  113   2HG1  VAL  16          2HG1      VAL  16  12.004   1.673  -6.091
  114   3HG1  VAL  16          3HG1      VAL  16  12.252  -0.068  -6.233
  115   1HG2  VAL  16          1HG2      VAL  16  15.259   1.177  -4.377
  116   2HG2  VAL  16          2HG2      VAL  16  14.002  -0.062  -4.337
  117   3HG2  VAL  16          3HG2      VAL  16  13.573   1.637  -4.136
  118    H    THR  17           H        THR  17  16.747   1.731  -6.775
  119    HA   THR  17           HA       THR  17  18.704  -0.022  -5.526
  120    HB   THR  17           HB       THR  17  19.381   2.788  -6.171
  121    HG1  THR  17           HG1      THR  17  19.657   2.041  -8.448
  122   1HG2  THR  17          1HG2      THR  17  20.763   0.173  -6.764
  123   2HG2  THR  17          2HG2      THR  17  21.073   1.202  -5.364
  124   3HG2  THR  17          3HG2      THR  17  21.445   1.784  -6.988
  125    H    VAL  18           H        VAL  18  19.838   0.715  -3.629
  126    HA   VAL  18           HA       VAL  18  18.252   1.983  -1.675
  127    HB   VAL  18           HB       VAL  18  21.195   1.591  -1.510
  128   1HG1  VAL  18          1HG1      VAL  18  20.358   3.041   0.184
  129   2HG1  VAL  18          2HG1      VAL  18  20.768   1.490   0.920
  130   3HG1  VAL  18          3HG1      VAL  18  19.082   1.892   0.589
  131   1HG2  VAL  18          1HG2      VAL  18  20.148  -0.553  -2.057
  132   2HG2  VAL  18          2HG2      VAL  18  19.060  -0.351  -0.679
  133   3HG2  VAL  18          3HG2      VAL  18  20.791  -0.543  -0.413
  134    H    GLY  19           H        GLY  19  17.836   3.834  -1.936
  135   1HA   GLY  19          1HA       GLY  19  18.611   6.072  -1.182
  136   2HA   GLY  19          2HA       GLY  19  19.941   5.864  -2.309
  137    H    GLY  20           H        GLY  20  17.361   4.545  -3.892
  138   1HA   GLY  20          1HA       GLY  20  16.805   7.045  -5.242
  139   2HA   GLY  20          2HA       GLY  20  16.339   5.434  -5.753
  140    H    SER  21           H        SER  21  14.408   5.270  -5.729
  141    HA   SER  21           HA       SER  21  12.840   5.751  -3.437
  142   1HB   SER  21          1HB       SER  21  11.176   6.915  -4.911
  143   2HB   SER  21          2HB       SER  21  12.574   7.823  -4.431
  144    HG   SER  21           HG       SER  21  11.734   7.184  -6.909
  145    H    ILE  22           H        ILE  22  10.731   4.971  -3.734
  146    HA   ILE  22           HA       ILE  22  10.110   3.326  -5.974
  147    HB   ILE  22           HB       ILE  22  11.045   1.720  -4.471
  148   1HG1  ILE  22          1HG1      ILE  22   9.082   0.234  -4.185
  149   2HG1  ILE  22          2HG1      ILE  22   8.056   1.580  -4.652
  150   1HG2  ILE  22          1HG2      ILE  22  10.817   2.770  -2.334
  151   2HG2  ILE  22          2HG2      ILE  22   9.991   1.212  -2.286
  152   3HG2  ILE  22          3HG2      ILE  22   9.060   2.701  -2.450
  153   1HD1  ILE  22          1HD1      ILE  22   9.227   1.666  -6.819
  154   2HD1  ILE  22          2HD1      ILE  22   8.409   0.130  -6.529
  155   3HD1  ILE  22          3HD1      ILE  22  10.157   0.245  -6.338
  156    H    THR  23           H        THR  23   8.021   3.009  -6.144
  157    HA   THR  23           HA       THR  23   6.187   4.626  -4.573
  158    HB   THR  23           HB       THR  23   6.247   4.920  -7.566
  159    HG1  THR  23           HG1      THR  23   7.819   6.298  -7.238
  160   1HG2  THR  23          1HG2      THR  23   4.726   6.809  -7.148
  161   2HG2  THR  23          2HG2      THR  23   4.772   6.461  -5.420
  162   3HG2  THR  23          3HG2      THR  23   4.064   5.294  -6.537
  163    H    PHE  24           H        PHE  24   4.410   3.595  -4.256
  164    HA   PHE  24           HA       PHE  24   3.363   1.881  -6.363
  165   1HB   PHE  24          1HB       PHE  24   2.553   1.258  -3.582
  166   2HB   PHE  24          2HB       PHE  24   2.741   0.219  -4.957
  167    HD1  PHE  24           HD1      PHE  24   5.126  -0.351  -5.700
  168    HD2  PHE  24           HD2      PHE  24   4.135   1.264  -1.900
  169    HE1  PHE  24           HE1      PHE  24   7.287  -1.117  -4.821
  170    HE2  PHE  24           HE2      PHE  24   6.292   0.497  -1.007
  171    HZ   PHE  24           HZ       PHE  24   7.770  -0.897  -2.420
  172    H    SER  25           H        SER  25   1.063   1.733  -6.273
  173    HA   SER  25           HA       SER  25  -0.370   3.845  -4.931
  174   1HB   SER  25          1HB       SER  25  -1.294   3.470  -7.660
  175   2HB   SER  25          2HB       SER  25  -0.922   4.958  -6.801
  176    HG   SER  25           HG       SER  25   1.386   4.016  -7.209
  177    H    ALA  26           H        ALA  26  -2.198   3.103  -4.165
  178    HA   ALA  26           HA       ALA  26  -3.304   0.576  -5.200
  179   1HB   ALA  26          1HB       ALA  26  -3.764  -0.227  -3.014
  180   2HB   ALA  26          2HB       ALA  26  -3.348   1.324  -2.284
  181   3HB   ALA  26          3HB       ALA  26  -2.087   0.330  -2.990
  182    H    ARG  27           H        ARG  27  -5.378   0.617  -5.709
  183    HA   ARG  27           HA       ARG  27  -6.924   2.997  -4.930
  184   1HB   ARG  27          1HB       ARG  27  -7.236   1.183  -7.328
  185   2HB   ARG  27          2HB       ARG  27  -8.278   2.549  -6.956
  186   1HG   ARG  27          1HG       ARG  27  -6.407   4.072  -7.202
  187   2HG   ARG  27          2HG       ARG  27  -5.331   2.712  -7.521
  188   1HD   ARG  27          1HD       ARG  27  -6.629   2.140  -9.513
  189   2HD   ARG  27          2HD       ARG  27  -7.716   3.486  -9.194
  190    HE   ARG  27           HE       ARG  27  -4.927   4.204  -9.493
  191   1HH1  ARG  27          1HH1      ARG  27  -8.016   3.734 -11.084
  192   2HH1  ARG  27          2HH1      ARG  27  -7.624   4.773 -12.429
  193   1HH2  ARG  27          1HH2      ARG  27  -4.393   5.518 -11.290
  194   2HH2  ARG  27          2HH2      ARG  27  -5.555   5.746 -12.568
  195    H    VAL  28           H        VAL  28  -8.587   2.688  -3.581
  196    HA   VAL  28           HA       VAL  28  -9.697   0.004  -3.365
  197    HB   VAL  28           HB       VAL  28  -9.402   1.868  -1.022
  198   1HG1  VAL  28          1HG1      VAL  28  -9.982  -1.085  -1.165
  199   2HG1  VAL  28          2HG1      VAL  28 -11.204   0.171  -0.953
  200   3HG1  VAL  28          3HG1      VAL  28  -9.967  -0.081   0.285
  201   1HG2  VAL  28          1HG2      VAL  28  -7.174   1.305  -1.743
  202   2HG2  VAL  28          2HG2      VAL  28  -7.608  -0.399  -1.878
  203   3HG2  VAL  28          3HG2      VAL  28  -7.553   0.374  -0.294
  204    H    ALA  29           H        ALA  29 -11.664  -0.105  -3.539
  205    HA   ALA  29           HA       ALA  29 -13.355   1.894  -4.413
  206   1HB   ALA  29          1HB       ALA  29 -14.043  -0.817  -3.307
  207   2HB   ALA  29          2HB       ALA  29 -13.618  -0.456  -4.979
  208   3HB   ALA  29          3HB       ALA  29 -15.100   0.200  -4.285
  209    H    GLY  30           H        GLY  30 -13.898   3.525  -3.220
  210   1HA   GLY  30          1HA       GLY  30 -14.533   3.713  -0.528
  211   2HA   GLY  30          2HA       GLY  30 -15.251   4.710  -1.791
  212    H    ALA  31           H        ALA  31 -16.753   3.066  -3.206
  213    HA   ALA  31           HA       ALA  31 -18.702   1.944  -3.390
  214   1HB   ALA  31          1HB       ALA  31 -19.016  -0.012  -1.832
  215   2HB   ALA  31          2HB       ALA  31 -17.510   0.476  -1.054
  216   3HB   ALA  31          3HB       ALA  31 -17.515   0.001  -2.754
  217    H    SER  32           H        SER  32 -20.577   0.958  -1.824
  218    HA   SER  32           HA       SER  32 -21.338   3.099   0.050
  219   1HB   SER  32          1HB       SER  32 -23.151   1.177  -1.439
  220   2HB   SER  32          2HB       SER  32 -23.666   2.526  -0.425
  221    HG   SER  32           HG       SER  32 -21.967   3.465  -2.233
  222    H    LEU  33           H        LEU  33 -19.599   0.969   0.573
  223    HA   LEU  33           HA       LEU  33 -20.656  -1.193   1.935
  224   1HB   LEU  33          1HB       LEU  33 -18.482  -1.412   2.994
  225   2HB   LEU  33          2HB       LEU  33 -18.354  -1.105   1.280
  226    HG   LEU  33           HG       LEU  33 -17.167   0.296   3.516
  227   1HD1  LEU  33          1HD1      LEU  33 -15.626   1.005   1.812
  228   2HD1  LEU  33          2HD1      LEU  33 -16.771   0.588   0.539
  229   3HD1  LEU  33          3HD1      LEU  33 -16.053  -0.683   1.523
  230   1HD2  LEU  33          1HD2      LEU  33 -19.158   1.871   2.842
  231   2HD2  LEU  33          2HD2      LEU  33 -18.106   2.259   1.473
  232   3HD2  LEU  33          3HD2      LEU  33 -17.541   2.515   3.120
  233    H    LEU  34           H        LEU  34 -20.163  -1.575   4.370
  234    HA   LEU  34           HA       LEU  34 -22.046  -0.136   5.862
  235   1HB   LEU  34          1HB       LEU  34 -21.160  -2.458   6.315
  236   2HB   LEU  34          2HB       LEU  34 -19.734  -1.697   6.994
  237    HG   LEU  34           HG       LEU  34 -21.308  -0.482   8.564
  238   1HD1  LEU  34          1HD1      LEU  34 -23.383  -0.834   7.402
  239   2HD1  LEU  34          2HD1      LEU  34 -23.460  -1.587   8.992
  240   3HD1  LEU  34          3HD1      LEU  34 -23.210  -2.581   7.557
  241   1HD2  LEU  34          1HD2      LEU  34 -21.069  -3.478   8.757
  242   2HD2  LEU  34          2HD2      LEU  34 -21.431  -2.392  10.096
  243   3HD2  LEU  34          3HD2      LEU  34 -19.869  -2.301   9.286
  244    H    LYS  35           H        LYS  35 -18.514  -0.058   5.986
  245    HA   LYS  35           HA       LYS  35 -18.609   2.774   6.551
  246   1HB   LYS  35          1HB       LYS  35 -16.852   2.523   8.342
  247   2HB   LYS  35          2HB       LYS  35 -18.444   1.951   8.804
  248   1HG   LYS  35          1HG       LYS  35 -17.017   0.337   9.646
  249   2HG   LYS  35          2HG       LYS  35 -17.575  -0.375   8.134
  250   1HD   LYS  35          1HD       LYS  35 -15.487   0.426   7.046
  251   2HD   LYS  35          2HD       LYS  35 -14.943   1.022   8.614
  252   1HE   LYS  35          1HE       LYS  35 -15.680  -1.855   8.123
  253   2HE   LYS  35          2HE       LYS  35 -14.045  -1.230   7.910
  254   1HZ   LYS  35          1HZ       LYS  35 -14.438  -2.260  10.106
  255   2HZ   LYS  35          2HZ       LYS  35 -15.582  -1.054  10.454
  256   3HZ   LYS  35          3HZ       LYS  35 -13.954  -0.645  10.216
  257    HA   PRO  36           HA       PRO  36 -15.566   3.177   3.457
  258   1HB   PRO  36          1HB       PRO  36 -13.572   4.517   4.964
  259   2HB   PRO  36          2HB       PRO  36 -14.815   5.257   3.953
  260   1HG   PRO  36          1HG       PRO  36 -14.771   4.831   6.893
  261   2HG   PRO  36          2HG       PRO  36 -15.515   6.137   5.956
  262   1HD   PRO  36          1HD       PRO  36 -17.003   4.215   7.060
  263   2HD   PRO  36          2HD       PRO  36 -17.394   4.858   5.449
  264    HA   PRO  37           HA       PRO  37 -13.106  -0.418   3.982
  265   1HB   PRO  37          1HB       PRO  37 -11.002   0.586   2.310
  266   2HB   PRO  37          2HB       PRO  37 -12.146  -0.707   1.988
  267   1HG   PRO  37          1HG       PRO  37 -12.129   1.839   0.801
  268   2HG   PRO  37          2HG       PRO  37 -13.408   0.623   0.688
  269   1HD   PRO  37          1HD       PRO  37 -13.398   3.135   2.101
  270   2HD   PRO  37          2HD       PRO  37 -14.742   1.994   1.834
  271    H    VAL  38           H        VAL  38 -11.640  -1.044   5.358
  272    HA   VAL  38           HA       VAL  38  -9.740   0.887   6.427
  273    HB   VAL  38           HB       VAL  38 -10.073  -1.861   7.497
  274   1HG1  VAL  38          1HG1      VAL  38  -9.314  -0.778   9.595
  275   2HG1  VAL  38          2HG1      VAL  38  -9.153   0.730   8.695
  276   3HG1  VAL  38          3HG1      VAL  38  -8.158  -0.663   8.266
  277   1HG2  VAL  38          1HG2      VAL  38 -12.326  -0.925   7.500
  278   2HG2  VAL  38          2HG2      VAL  38 -11.726   0.490   8.366
  279   3HG2  VAL  38          3HG2      VAL  38 -11.698  -1.092   9.143
  280    H    VAL  39           H        VAL  39  -8.166   0.803   5.205
  281    HA   VAL  39           HA       VAL  39  -7.108  -1.714   4.208
  282    HB   VAL  39           HB       VAL  39  -6.209   0.921   3.174
  283   1HG1  VAL  39          1HG1      VAL  39  -5.869  -0.362   1.093
  284   2HG1  VAL  39          2HG1      VAL  39  -6.448  -1.801   1.933
  285   3HG1  VAL  39          3HG1      VAL  39  -4.973  -0.994   2.476
  286   1HG2  VAL  39          1HG2      VAL  39  -7.934   1.035   1.495
  287   2HG2  VAL  39          2HG2      VAL  39  -8.678   1.010   3.092
  288   3HG2  VAL  39          3HG2      VAL  39  -8.666  -0.450   2.105
  289    H    LYS  40           H        LYS  40  -5.586  -2.260   5.495
  290    HA   LYS  40           HA       LYS  40  -3.716  -0.330   6.470
  291   1HB   LYS  40          1HB       LYS  40  -2.926  -2.065   7.981
  292   2HB   LYS  40          2HB       LYS  40  -4.612  -1.706   8.209
  293   1HG   LYS  40          1HG       LYS  40  -4.655  -3.989   8.315
  294   2HG   LYS  40          2HG       LYS  40  -4.920  -3.738   6.589
  295   1HD   LYS  40          1HD       LYS  40  -3.232  -5.506   7.092
  296   2HD   LYS  40          2HD       LYS  40  -2.592  -4.182   6.111
  297   1HE   LYS  40          1HE       LYS  40  -1.643  -3.171   8.140
  298   2HE   LYS  40          2HE       LYS  40  -2.252  -4.523   9.092
  299   1HZ   LYS  40          1HZ       LYS  40  -0.800  -6.005   7.994
  300   2HZ   LYS  40          2HZ       LYS  40   0.132  -4.659   8.435
  301   3HZ   LYS  40          3HZ       LYS  40  -0.370  -4.851   6.832
  302    H    TRP  41           H        TRP  41  -1.960  -0.177   5.746
  303    HA   TRP  41           HA       TRP  41  -0.900  -1.981   3.766
  304   1HB   TRP  41          1HB       TRP  41  -0.028   0.677   4.848
  305   2HB   TRP  41          2HB       TRP  41   0.908  -0.243   3.676
  306    HD1  TRP  41           HD1      TRP  41  -2.418   1.651   4.014
  307    HE1  TRP  41           HE1      TRP  41  -3.134   2.350   1.607
  308    HE3  TRP  41           HE3      TRP  41   1.007  -0.983   1.342
  309    HZ2  TRP  41           HZ2      TRP  41  -2.391   1.744  -1.037
  310    HZ3  TRP  41           HZ3      TRP  41   0.938  -0.903  -1.110
  311    HH2  TRP  41           HH2      TRP  41  -0.744   0.431  -2.271
  312    H    PHE  42           H        PHE  42   1.186  -2.787   3.880
  313    HA   PHE  42           HA       PHE  42   2.436  -2.986   6.533
  314   1HB   PHE  42          1HB       PHE  42   1.172  -5.120   5.813
  315   2HB   PHE  42          2HB       PHE  42   2.353  -5.226   4.516
  316    HD1  PHE  42           HD1      PHE  42   4.773  -5.514   5.076
  317    HD2  PHE  42           HD2      PHE  42   1.674  -5.908   7.967
  318    HE1  PHE  42           HE1      PHE  42   6.307  -6.764   6.534
  319    HE2  PHE  42           HE2      PHE  42   3.205  -7.161   9.434
  320    HZ   PHE  42           HZ       PHE  42   5.523  -7.592   8.715
  321    H    LYS  43           H        LYS  43   4.654  -2.596   6.359
  322    HA   LYS  43           HA       LYS  43   5.468  -2.068   3.581
  323   1HB   LYS  43          1HB       LYS  43   5.641   0.039   4.639
  324   2HB   LYS  43          2HB       LYS  43   6.201  -0.652   6.160
  325   1HG   LYS  43          1HG       LYS  43   8.327  -1.224   5.118
  326   2HG   LYS  43          2HG       LYS  43   7.760  -0.562   3.585
  327   1HD   LYS  43          1HD       LYS  43   9.144   1.040   4.649
  328   2HD   LYS  43          2HD       LYS  43   7.477   1.607   4.702
  329   1HE   LYS  43          1HE       LYS  43   7.273   0.916   7.002
  330   2HE   LYS  43          2HE       LYS  43   8.873   0.188   6.948
  331   1HZ   LYS  43          1HZ       LYS  43   8.976   2.299   8.054
  332   2HZ   LYS  43          2HZ       LYS  43   8.267   3.078   6.728
  333   3HZ   LYS  43          3HZ       LYS  43   9.809   2.400   6.584
  334    H    GLY  44           H        GLY  44   6.770  -3.775   3.028
  335   1HA   GLY  44          1HA       GLY  44   7.536  -5.422   5.280
  336   2HA   GLY  44          2HA       GLY  44   7.654  -5.867   3.593
  337    H    LYS  45           H        LYS  45   9.233  -3.842   5.994
  338    HA   LYS  45           HA       LYS  45  11.556  -5.467   5.301
  339   1HB   LYS  45          1HB       LYS  45  11.345  -2.869   6.285
  340   2HB   LYS  45          2HB       LYS  45  11.653  -3.817   7.727
  341   1HG   LYS  45          1HG       LYS  45  13.375  -3.704   5.269
  342   2HG   LYS  45          2HG       LYS  45  13.713  -2.953   6.828
  343   1HD   LYS  45          1HD       LYS  45  13.320  -5.908   6.505
  344   2HD   LYS  45          2HD       LYS  45  14.887  -5.137   6.287
  345   1HE   LYS  45          1HE       LYS  45  13.204  -4.970   8.786
  346   2HE   LYS  45          2HE       LYS  45  14.562  -6.068   8.563
  347   1HZ   LYS  45          1HZ       LYS  45  14.733  -3.094   8.503
  348   2HZ   LYS  45          2HZ       LYS  45  16.035  -4.168   8.335
  349   3HZ   LYS  45          3HZ       LYS  45  15.193  -4.082   9.796
  350    H    TRP  46           H        TRP  46   8.758  -5.058   7.091
  351    HA   TRP  46           HA       TRP  46   8.369  -7.189   8.633
  352   1HB   TRP  46          1HB       TRP  46   9.274  -6.594  10.801
  353   2HB   TRP  46          2HB       TRP  46  10.537  -6.883   9.642
  354    HD1  TRP  46           HD1      TRP  46  11.667  -4.622   8.611
  355    HE1  TRP  46           HE1      TRP  46  12.253  -2.410   9.736
  356    HE3  TRP  46           HE3      TRP  46   8.658  -5.091  12.687
  357    HZ2  TRP  46           HZ2      TRP  46  11.512  -1.029  12.145
  358    HZ3  TRP  46           HZ3      TRP  46   8.651  -3.291  14.364
  359    HH2  TRP  46           HH2      TRP  46  10.042  -1.307  14.094
  360    H    VAL  47           H        VAL  47   8.056  -3.874   8.137
  361    HA   VAL  47           HA       VAL  47   6.695  -3.223  10.521
  362    HB   VAL  47           HB       VAL  47   6.923  -0.990   8.815
  363   1HG1  VAL  47          1HG1      VAL  47   8.441  -0.178  10.575
  364   2HG1  VAL  47          2HG1      VAL  47   8.429  -1.799  11.277
  365   3HG1  VAL  47          3HG1      VAL  47   6.936  -0.856  11.200
  366   1HG2  VAL  47          1HG2      VAL  47   9.398  -0.837   8.601
  367   2HG2  VAL  47          2HG2      VAL  47   8.640  -1.985   7.502
  368   3HG2  VAL  47          3HG2      VAL  47   9.482  -2.562   8.948
  369    H    ASP  48           H        ASP  48   5.117  -1.659  10.283
  370    HA   ASP  48           HA       ASP  48   3.106  -2.137   8.213
  371   1HB   ASP  48          1HB       ASP  48   2.523  -2.809  10.574
  372   2HB   ASP  48          2HB       ASP  48   2.691  -1.114  11.027
  373    H    LEU  49           H        LEU  49   2.438  -0.299   7.179
  374    HA   LEU  49           HA       LEU  49   4.142   1.968   7.375
  375   1HB   LEU  49          1HB       LEU  49   1.648   1.518   5.749
  376   2HB   LEU  49          2HB       LEU  49   2.541   3.021   5.730
  377    HG   LEU  49           HG       LEU  49   4.529   1.388   5.005
  378   1HD1  LEU  49          1HD1      LEU  49   2.065   0.129   3.823
  379   2HD1  LEU  49          2HD1      LEU  49   3.079  -0.621   5.066
  380   3HD1  LEU  49          3HD1      LEU  49   3.748  -0.265   3.471
  381   1HD2  LEU  49          1HD2      LEU  49   3.675   3.340   3.803
  382   2HD2  LEU  49          2HD2      LEU  49   2.349   2.342   3.189
  383   3HD2  LEU  49          3HD2      LEU  49   4.014   1.979   2.730
  384    H    SER  50           H        SER  50   1.004   1.247   8.663
  385    HA   SER  50           HA       SER  50  -0.090   3.790   8.604
  386   1HB   SER  50          1HB       SER  50  -0.735   1.702  10.676
  387   2HB   SER  50          2HB       SER  50  -1.806   2.835   9.874
  388    HG   SER  50           HG       SER  50  -0.744   0.417   8.942
  389    H    SER  51           H        SER  51   2.336   2.373  10.494
  390    HA   SER  51           HA       SER  51   1.904   4.224  12.603
  391   1HB   SER  51          1HB       SER  51   3.442   1.696  12.393
  392   2HB   SER  51          2HB       SER  51   3.807   2.840  13.671
  393    HG   SER  51           HG       SER  51   1.228   2.630  13.728
  394    H    LYS  52           H        LYS  52   3.855   3.759   9.924
  395    HA   LYS  52           HA       LYS  52   5.982   5.442  10.948
  396   1HB   LYS  52          1HB       LYS  52   6.273   4.351   8.259
  397   2HB   LYS  52          2HB       LYS  52   7.379   4.345   9.601
  398   1HG   LYS  52          1HG       LYS  52   5.129   2.444   9.104
  399   2HG   LYS  52          2HG       LYS  52   6.847   2.109   8.950
  400   1HD   LYS  52          1HD       LYS  52   5.381   2.722  11.514
  401   2HD   LYS  52          2HD       LYS  52   5.909   1.127  10.982
  402   1HE   LYS  52          1HE       LYS  52   7.647   1.622  12.357
  403   2HE   LYS  52          2HE       LYS  52   8.255   2.394  10.897
  404   1HZ   LYS  52          1HZ       LYS  52   7.354   4.516  11.722
  405   2HZ   LYS  52          2HZ       LYS  52   8.502   3.859  12.777
  406   3HZ   LYS  52          3HZ       LYS  52   6.855   3.745  13.143
  407    H    VAL  53           H        VAL  53   4.509   5.094   7.808
  408    HA   VAL  53           HA       VAL  53   4.427   6.693   6.114
  409    HB   VAL  53           HB       VAL  53   2.121   6.810   8.006
  410   1HG1  VAL  53          1HG1      VAL  53   1.722   8.765   6.758
  411   2HG1  VAL  53          2HG1      VAL  53   0.832   7.500   5.890
  412   3HG1  VAL  53          3HG1      VAL  53   2.395   8.059   5.287
  413   1HG2  VAL  53          1HG2      VAL  53   1.125   5.281   6.426
  414   2HG2  VAL  53          2HG2      VAL  53   2.672   4.666   7.012
  415   3HG2  VAL  53          3HG2      VAL  53   2.556   5.382   5.405
  416    H    GLY  54           H        GLY  54   5.944   8.168   6.056
  417   1HA   GLY  54          1HA       GLY  54   5.324  10.780   7.217
  418   2HA   GLY  54          2HA       GLY  54   6.782  10.017   7.832
  419    H    GLN  55           H        GLN  55   8.411  11.188   6.992
  420    HA   GLN  55           HA       GLN  55   8.118  12.754   4.673
  421   1HB   GLN  55          1HB       GLN  55   9.611  13.389   6.489
  422   2HB   GLN  55          2HB       GLN  55  10.641  12.008   6.147
  423   1HG   GLN  55          1HG       GLN  55  11.115  12.929   3.924
  424   2HG   GLN  55          2HG       GLN  55  10.123  14.332   4.316
  425   1HE2  GLN  55          1HE2      GLN  55  11.832  15.740   4.054
  426   2HE2  GLN  55          2HE2      GLN  55  13.130  15.847   5.206
  427    H    HIS  56           H        HIS  56   9.856   9.648   5.116
  428    HA   HIS  56           HA       HIS  56  10.778   9.859   2.378
  429   1HB   HIS  56          1HB       HIS  56  12.253   8.150   2.790
  430   2HB   HIS  56          2HB       HIS  56  12.107   8.883   4.374
  431    HD1  HIS  56           HD1      HIS  56  11.306   5.801   2.450
  432    HD2  HIS  56           HD2      HIS  56  10.962   7.257   6.322
  433    HE1  HIS  56           HE1      HIS  56  10.599   3.833   3.847
  434    HE2  HIS  56           HE2      HIS  56  10.744   4.690   6.224
  435    H    LEU  57           H        LEU  57   8.540   7.849   4.157
  436    HA   LEU  57           HA       LEU  57   7.303   7.228   1.639
  437   1HB   LEU  57          1HB       LEU  57   7.678   5.121   2.056
  438   2HB   LEU  57          2HB       LEU  57   8.140   5.427   3.647
  439    HG   LEU  57           HG       LEU  57   6.315   3.698   3.271
  440   1HD1  LEU  57          1HD1      LEU  57   5.950   5.908   5.274
  441   2HD1  LEU  57          2HD1      LEU  57   6.855   4.409   5.471
  442   3HD1  LEU  57          3HD1      LEU  57   5.098   4.366   5.311
  443   1HD2  LEU  57          1HD2      LEU  57   4.924   4.959   1.727
  444   2HD2  LEU  57          2HD2      LEU  57   4.633   6.188   2.957
  445   3HD2  LEU  57          3HD2      LEU  57   4.024   4.548   3.189
  446    H    GLN  58           H        GLN  58   5.771   8.641   1.531
  447    HA   GLN  58           HA       GLN  58   3.970   9.003   3.742
  448   1HB   GLN  58          1HB       GLN  58   3.636  10.123   0.964
  449   2HB   GLN  58          2HB       GLN  58   2.970  10.732   2.470
  450   1HG   GLN  58          1HG       GLN  58   4.595  12.259   1.938
  451   2HG   GLN  58          2HG       GLN  58   5.408  11.238   3.102
  452   1HE2  GLN  58          1HE2      GLN  58   7.102  10.011   2.455
  453   2HE2  GLN  58          2HE2      GLN  58   7.858  10.158   0.899
  454    H    LEU  59           H        LEU  59   2.631   7.449   3.890
  455    HA   LEU  59           HA       LEU  59   1.469   6.169   1.556
  456   1HB   LEU  59          1HB       LEU  59   2.210   4.847   3.641
  457   2HB   LEU  59          2HB       LEU  59   0.919   5.636   4.504
  458    HG   LEU  59           HG       LEU  59   0.764   3.469   2.446
  459   1HD1  LEU  59          1HD1      LEU  59  -0.866   2.766   4.337
  460   2HD1  LEU  59          2HD1      LEU  59   0.004   4.002   5.269
  461   3HD1  LEU  59          3HD1      LEU  59   0.886   2.632   4.560
  462   1HD2  LEU  59          1HD2      LEU  59  -1.675   3.781   2.389
  463   2HD2  LEU  59          2HD2      LEU  59  -0.797   5.108   1.617
  464   3HD2  LEU  59          3HD2      LEU  59  -1.483   5.321   3.234
  465    H    HIS  60           H        HIS  60   0.364   7.819   0.758
  466    HA   HIS  60           HA       HIS  60  -1.377   9.449   2.311
  467   1HB   HIS  60          1HB       HIS  60  -0.342   9.507  -0.450
  468   2HB   HIS  60          2HB       HIS  60  -1.889  10.257  -0.160
  469    HD1  HIS  60           HD1      HIS  60  -1.075  12.614  -0.557
  470    HD2  HIS  60           HD2      HIS  60   1.005  10.640   2.454
  471    HE1  HIS  60           HE1      HIS  60   0.284  14.382   0.599
  472    HE2  HIS  60           HE2      HIS  60   1.548  13.170   2.415
  473    H    ASP  61           H        ASP  61  -3.355   9.875   1.509
  474    HA   ASP  61           HA       ASP  61  -4.797   7.754   0.225
  475   1HB   ASP  61          1HB       ASP  61  -6.694   8.247   1.811
  476   2HB   ASP  61          2HB       ASP  61  -5.405   7.218   2.380
  477    H    SER  62           H        SER  62  -5.515   8.541  -1.386
  478    HA   SER  62           HA       SER  62  -6.569  11.257  -1.543
  479   1HB   SER  62          1HB       SER  62  -6.367   9.413  -3.884
  480   2HB   SER  62          2HB       SER  62  -6.355  11.168  -3.870
  481    HG   SER  62           HG       SER  62  -4.285   9.453  -2.960
  482    H    TYR  63           H        TYR  63  -8.684  11.561  -2.432
  483    HA   TYR  63           HA       TYR  63 -10.391   9.267  -2.245
  484   1HB   TYR  63          1HB       TYR  63 -10.327   9.701  -0.007
  485   2HB   TYR  63          2HB       TYR  63 -10.369  11.443  -0.199
  486    HD1  TYR  63           HD1      TYR  63 -12.346  12.473   0.421
  487    HD2  TYR  63           HD2      TYR  63 -12.486   8.478  -1.024
  488    HE1  TYR  63           HE1      TYR  63 -14.781  12.438   0.769
  489    HE2  TYR  63           HE2      TYR  63 -14.916   8.438  -0.688
  490    HH   TYR  63           HH       TYR  63 -16.744  11.232  -0.049
  491    H    ASP  64           H        ASP  64 -11.066   9.529  -4.213
  492    HA   ASP  64           HA       ASP  64 -12.846  11.798  -4.600
  493   1HB   ASP  64          1HB       ASP  64 -12.793  10.833  -7.018
  494   2HB   ASP  64          2HB       ASP  64 -11.601  11.959  -6.439
  495    H    ARG  65           H        ARG  65 -14.702  11.277  -3.899
  496    HA   ARG  65           HA       ARG  65 -15.772   8.663  -3.831
  497   1HB   ARG  65          1HB       ARG  65 -16.390  11.093  -2.664
  498   2HB   ARG  65          2HB       ARG  65 -17.739  10.824  -3.765
  499   1HG   ARG  65          1HG       ARG  65 -16.751   8.854  -1.740
  500   2HG   ARG  65          2HG       ARG  65 -18.136   9.928  -1.517
  501   1HD   ARG  65          1HD       ARG  65 -18.072   8.293  -3.971
  502   2HD   ARG  65          2HD       ARG  65 -18.358   7.431  -2.449
  503    HE   ARG  65           HE       ARG  65 -20.170   9.281  -2.172
  504   1HH1  ARG  65          1HH1      ARG  65 -19.265   7.696  -5.168
  505   2HH1  ARG  65          2HH1      ARG  65 -20.859   7.788  -5.840
  506   1HH2  ARG  65          1HH2      ARG  65 -22.254   9.437  -3.082
  507   2HH2  ARG  65          2HH2      ARG  65 -22.541   8.821  -4.686
  508    H    ALA  66           H        ALA  66 -15.868  11.248  -6.096
  509    HA   ALA  66           HA       ALA  66 -17.925  10.363  -7.779
  510   1HB   ALA  66          1HB       ALA  66 -16.993  11.834  -9.451
  511   2HB   ALA  66          2HB       ALA  66 -15.464  11.905  -8.574
  512   3HB   ALA  66          3HB       ALA  66 -16.916  12.619  -7.876
  513    H    SER  67           H        SER  67 -14.583   9.484  -7.510
  514    HA   SER  67           HA       SER  67 -14.759   7.645  -9.760
  515   1HB   SER  67          1HB       SER  67 -12.461   8.063  -7.837
  516   2HB   SER  67          2HB       SER  67 -12.399   7.227  -9.386
  517    HG   SER  67           HG       SER  67 -11.614   9.463  -9.326
  518    H    LYS  68           H        LYS  68 -15.230   7.782  -6.434
  519    HA   LYS  68           HA       LYS  68 -15.817   6.306  -4.818
  520   1HB   LYS  68          1HB       LYS  68 -17.087   5.295  -6.871
  521   2HB   LYS  68          2HB       LYS  68 -15.816   4.089  -6.811
  522   1HG   LYS  68          1HG       LYS  68 -16.479   3.879  -4.316
  523   2HG   LYS  68          2HG       LYS  68 -17.972   4.665  -4.832
  524   1HD   LYS  68          1HD       LYS  68 -18.615   2.532  -5.188
  525   2HD   LYS  68          2HD       LYS  68 -17.783   2.785  -6.724
  526   1HE   LYS  68          1HE       LYS  68 -15.718   1.842  -5.684
  527   2HE   LYS  68          2HE       LYS  68 -16.663   1.459  -4.233
  528   1HZ   LYS  68          1HZ       LYS  68 -18.094   0.052  -5.619
  529   2HZ   LYS  68          2HZ       LYS  68 -16.486  -0.460  -5.716
  530   3HZ   LYS  68          3HZ       LYS  68 -17.174   0.421  -6.992
  531    H    VAL  69           H        VAL  69 -13.082   6.835  -5.438
  532    HA   VAL  69           HA       VAL  69 -11.861   4.314  -4.623
  533    HB   VAL  69           HB       VAL  69 -10.469   6.302  -6.386
  534   1HG1  VAL  69          1HG1      VAL  69  -9.005   4.913  -5.086
  535   2HG1  VAL  69          2HG1      VAL  69  -8.918   4.450  -6.785
  536   3HG1  VAL  69          3HG1      VAL  69  -9.835   3.461  -5.649
  537   1HG2  VAL  69          1HG2      VAL  69 -12.330   5.418  -7.665
  538   2HG2  VAL  69          2HG2      VAL  69 -11.868   3.773  -7.234
  539   3HG2  VAL  69          3HG2      VAL  69 -10.814   4.744  -8.262
  540    H    TYR  70           H        TYR  70 -10.780   4.490  -2.866
  541    HA   TYR  70           HA       TYR  70  -9.530   6.990  -2.056
  542   1HB   TYR  70          1HB       TYR  70  -9.586   4.312  -0.702
  543   2HB   TYR  70          2HB       TYR  70  -8.741   5.706  -0.080
  544    HD1  TYR  70           HD1      TYR  70  -9.787   7.156   1.379
  545    HD2  TYR  70           HD2      TYR  70 -12.155   4.542  -0.991
  546    HE1  TYR  70           HE1      TYR  70 -11.783   7.863   2.627
  547    HE2  TYR  70           HE2      TYR  70 -14.167   5.242   0.236
  548    HH   TYR  70           HH       TYR  70 -14.162   7.934   2.404
  549    H    LEU  71           H        LEU  71  -7.773   7.291  -3.091
  550    HA   LEU  71           HA       LEU  71  -6.165   5.033  -3.971
  551   1HB   LEU  71          1HB       LEU  71  -6.568   6.544  -5.772
  552   2HB   LEU  71          2HB       LEU  71  -6.115   7.929  -4.795
  553    HG   LEU  71           HG       LEU  71  -3.798   7.296  -4.820
  554   1HD1  LEU  71          1HD1      LEU  71  -3.007   5.303  -6.057
  555   2HD1  LEU  71          2HD1      LEU  71  -4.685   4.783  -6.235
  556   3HD1  LEU  71          3HD1      LEU  71  -3.960   4.900  -4.628
  557   1HD2  LEU  71          1HD2      LEU  71  -4.987   7.014  -7.570
  558   2HD2  LEU  71          2HD2      LEU  71  -3.300   7.365  -7.212
  559   3HD2  LEU  71          3HD2      LEU  71  -4.554   8.522  -6.764
  560    H    PHE  72           H        PHE  72  -5.007   4.424  -2.452
  561    HA   PHE  72           HA       PHE  72  -3.597   6.203  -0.713
  562   1HB   PHE  72          1HB       PHE  72  -3.680   3.234  -0.946
  563   2HB   PHE  72          2HB       PHE  72  -2.696   4.061   0.239
  564    HD1  PHE  72           HD1      PHE  72  -6.071   3.136  -0.778
  565    HD2  PHE  72           HD2      PHE  72  -3.725   5.112   2.161
  566    HE1  PHE  72           HE1      PHE  72  -7.998   3.136   0.751
  567    HE2  PHE  72           HE2      PHE  72  -5.646   5.117   3.697
  568    HZ   PHE  72           HZ       PHE  72  -7.789   4.125   2.996
  569    H    GLU  73           H        GLU  73  -1.889   7.025  -1.299
  570    HA   GLU  73           HA       GLU  73  -0.273   5.932  -3.462
  571   1HB   GLU  73          1HB       GLU  73   0.223   8.637  -2.307
  572   2HB   GLU  73          2HB       GLU  73   0.562   8.042  -3.919
  573   1HG   GLU  73          1HG       GLU  73  -1.763   8.205  -4.515
  574   2HG   GLU  73          2HG       GLU  73  -2.188   8.668  -2.865
  575    H    LEU  74           H        LEU  74   1.510   5.082  -2.990
  576    HA   LEU  74           HA       LEU  74   2.844   5.598  -0.449
  577   1HB   LEU  74          1HB       LEU  74   3.471   3.647  -2.652
  578   2HB   LEU  74          2HB       LEU  74   4.402   3.799  -1.183
  579    HG   LEU  74           HG       LEU  74   2.964   1.853  -1.045
  580   1HD1  LEU  74          1HD1      LEU  74   3.410   3.247   0.938
  581   2HD1  LEU  74          2HD1      LEU  74   1.891   2.348   1.039
  582   3HD1  LEU  74          3HD1      LEU  74   1.878   4.073   0.659
  583   1HD2  LEU  74          1HD2      LEU  74   1.246   2.486  -2.618
  584   2HD2  LEU  74          2HD2      LEU  74   0.701   3.768  -1.537
  585   3HD2  LEU  74          3HD2      LEU  74   0.524   2.080  -1.060
  586    H    HIS  75           H        HIS  75   4.165   7.189  -0.561
  587    HA   HIS  75           HA       HIS  75   5.879   7.251  -2.951
  588   1HB   HIS  75          1HB       HIS  75   4.910   9.545  -1.260
  589   2HB   HIS  75          2HB       HIS  75   6.463   9.657  -2.080
  590    HD1  HIS  75           HD1      HIS  75   3.101  10.607  -2.580
  591    HD2  HIS  75           HD2      HIS  75   6.012   8.896  -5.016
  592    HE1  HIS  75           HE1      HIS  75   2.350  11.039  -4.944
  593    HE2  HIS  75           HE2      HIS  75   4.033   9.840  -6.395
  594    H    ILE  76           H        ILE  76   7.233   5.804  -2.272
  595    HA   ILE  76           HA       ILE  76   8.417   6.205   0.379
  596    HB   ILE  76           HB       ILE  76   8.125   3.684  -1.189
  597   1HG1  ILE  76          1HG1      ILE  76   6.530   4.703   1.162
  598   2HG1  ILE  76          2HG1      ILE  76   5.957   4.557  -0.505
  599   1HG2  ILE  76          1HG2      ILE  76  10.035   3.673   0.346
  600   2HG2  ILE  76          2HG2      ILE  76   8.782   2.538   0.848
  601   3HG2  ILE  76          3HG2      ILE  76   8.949   4.088   1.675
  602   1HD1  ILE  76          1HD1      ILE  76   5.132   2.759   0.893
  603   2HD1  ILE  76          2HD1      ILE  76   6.787   2.274   1.256
  604   3HD1  ILE  76          3HD1      ILE  76   6.173   2.150  -0.391
  605    H    THR  77           H        THR  77  10.139   7.241  -0.094
  606    HA   THR  77           HA       THR  77  11.893   6.374  -2.166
  607    HB   THR  77           HB       THR  77  12.885   8.610  -1.997
  608    HG1  THR  77           HG1      THR  77  11.298  10.071  -0.650
  609   1HG2  THR  77          1HG2      THR  77   9.880   8.761  -2.251
  610   2HG2  THR  77          2HG2      THR  77  10.975   8.222  -3.526
  611   3HG2  THR  77          3HG2      THR  77  11.050   9.890  -2.942
  612    H    ASP  78           H        ASP  78  14.004   6.493  -1.668
  613    HA   ASP  78           HA       ASP  78  15.999   6.357  -0.445
  614   1HB   ASP  78          1HB       ASP  78  14.795   8.229   0.725
  615   2HB   ASP  78          2HB       ASP  78  14.294   7.040   1.894
  616    H    ALA  79           H        ALA  79  14.404   4.218  -0.883
  617    HA   ALA  79           HA       ALA  79  13.673   2.518   1.136
  618   1HB   ALA  79          1HB       ALA  79  13.140   2.024  -1.167
  619   2HB   ALA  79          2HB       ALA  79  13.997   0.659  -0.448
  620   3HB   ALA  79          3HB       ALA  79  14.843   1.758  -1.537
  621    H    GLN  80           H        GLN  80  14.748   1.833   2.784
  622    HA   GLN  80           HA       GLN  80  17.492   1.555   3.128
  623   1HB   GLN  80          1HB       GLN  80  16.179   1.508   5.083
  624   2HB   GLN  80          2HB       GLN  80  15.067   0.322   4.416
  625   1HG   GLN  80          1HG       GLN  80  16.162  -1.281   5.450
  626   2HG   GLN  80          2HG       GLN  80  17.615  -0.891   4.531
  627   1HE2  GLN  80          1HE2      GLN  80  19.164   0.471   5.449
  628   2HE2  GLN  80          2HE2      GLN  80  19.212   0.797   7.147
  629    HA   PRO  81           HA       PRO  81  18.438  -1.912   0.555
  630   1HB   PRO  81          1HB       PRO  81  20.688  -2.827   1.826
  631   2HB   PRO  81          2HB       PRO  81  20.667  -1.405   0.777
  632   1HG   PRO  81          1HG       PRO  81  20.586  -1.570   3.758
  633   2HG   PRO  81          2HG       PRO  81  21.466  -0.435   2.720
  634   1HD   PRO  81          1HD       PRO  81  19.162   0.222   3.972
  635   2HD   PRO  81          2HD       PRO  81  19.620   0.900   2.396
  636    H    ALA  82           H        ALA  82  17.237  -2.247   3.608
  637    HA   ALA  82           HA       ALA  82  17.167  -5.165   3.310
  638   1HB   ALA  82          1HB       ALA  82  16.810  -5.341   5.714
  639   2HB   ALA  82          2HB       ALA  82  16.854  -3.582   5.863
  640   3HB   ALA  82          3HB       ALA  82  18.304  -4.466   5.378
  641    H    PHE  83           H        PHE  83  15.441  -2.484   2.703
  642    HA   PHE  83           HA       PHE  83  12.938  -3.017   4.119
  643   1HB   PHE  83          1HB       PHE  83  14.112  -0.920   2.409
  644   2HB   PHE  83          2HB       PHE  83  12.442  -1.254   2.011
  645    HD1  PHE  83           HD1      PHE  83  13.061  -1.791   5.499
  646    HD2  PHE  83           HD2      PHE  83  12.337   1.211   2.581
  647    HE1  PHE  83           HE1      PHE  83  12.404  -0.236   7.277
  648    HE2  PHE  83           HE2      PHE  83  11.667   2.773   4.349
  649    HZ   PHE  83           HZ       PHE  83  11.696   2.053   6.702
  650    H    THR  84           H        THR  84  14.460  -4.527   1.686
  651    HA   THR  84           HA       THR  84  13.316  -5.008  -0.514
  652    HB   THR  84           HB       THR  84  13.674  -7.257   1.435
  653    HG1  THR  84           HG1      THR  84  15.803  -7.197   0.099
  654   1HG2  THR  84          1HG2      THR  84  14.205  -8.538  -0.653
  655   2HG2  THR  84          2HG2      THR  84  13.690  -7.132  -1.590
  656   3HG2  THR  84          3HG2      THR  84  12.531  -7.990  -0.570
  657    H    GLY  85           H        GLY  85  11.535  -4.340  -0.791
  658   1HA   GLY  85          1HA       GLY  85   9.336  -4.080   0.620
  659   2HA   GLY  85          2HA       GLY  85   9.308  -4.219  -1.121
  660    H    GLY  86           H        GLY  86   8.602  -5.514   1.746
  661   1HA   GLY  86          1HA       GLY  86   6.946  -7.393   0.253
  662   2HA   GLY  86          2HA       GLY  86   7.430  -7.686   1.924
  663    H    TYR  87           H        TYR  87   6.006  -5.226  -0.044
  664    HA   TYR  87           HA       TYR  87   4.629  -4.044   2.217
  665   1HB   TYR  87          1HB       TYR  87   4.639  -3.413  -0.753
  666   2HB   TYR  87          2HB       TYR  87   3.725  -2.504   0.446
  667    HD1  TYR  87           HD1      TYR  87   7.165  -3.447  -0.582
  668    HD2  TYR  87           HD2      TYR  87   4.744  -0.831   1.733
  669    HE1  TYR  87           HE1      TYR  87   9.125  -2.029  -0.147
  670    HE2  TYR  87           HE2      TYR  87   6.700   0.587   2.186
  671    HH   TYR  87           HH       TYR  87   9.655   0.237   0.496
  672    H    ARG  88           H        ARG  88   2.815  -5.131   2.881
  673    HA   ARG  88           HA       ARG  88   1.237  -6.518   0.808
  674   1HB   ARG  88          1HB       ARG  88   2.271  -7.901   2.691
  675   2HB   ARG  88          2HB       ARG  88   1.173  -7.071   3.784
  676   1HG   ARG  88          1HG       ARG  88  -0.719  -7.911   2.363
  677   2HG   ARG  88          2HG       ARG  88   0.467  -8.906   1.513
  678   1HD   ARG  88          1HD       ARG  88  -0.309  -9.023   4.417
  679   2HD   ARG  88          2HD       ARG  88  -0.523 -10.270   3.190
  680    HE   ARG  88           HE       ARG  88   2.198  -9.778   3.344
  681   1HH1  ARG  88          1HH1      ARG  88  -0.352 -11.005   5.412
  682   2HH1  ARG  88          2HH1      ARG  88   0.742 -11.902   6.430
  683   1HH2  ARG  88          1HH2      ARG  88   3.629 -10.995   4.654
  684   2HH2  ARG  88          2HH2      ARG  88   2.988 -11.915   5.984
  685    H    CYS  89           H        CYS  89  -0.426  -5.334   0.250
  686    HA   CYS  89           HA       CYS  89  -1.610  -3.513   2.188
  687   1HB   CYS  89          1HB       CYS  89  -1.076  -2.931  -0.282
  688   2HB   CYS  89          2HB       CYS  89  -2.548  -3.827  -0.636
  689    HG   CYS  89           HG       CYS  89  -2.187  -0.895   1.019
  690    H    GLU  90           H        GLU  90  -3.403  -3.932   3.190
  691    HA   GLU  90           HA       GLU  90  -5.005  -6.237   2.341
  692   1HB   GLU  90          1HB       GLU  90  -3.378  -7.026   4.000
  693   2HB   GLU  90          2HB       GLU  90  -3.862  -5.758   5.111
  694   1HG   GLU  90          1HG       GLU  90  -6.070  -6.778   5.315
  695   2HG   GLU  90          2HG       GLU  90  -5.586  -8.039   4.179
  696    H    VAL  91           H        VAL  91  -6.885  -5.184   1.879
  697    HA   VAL  91           HA       VAL  91  -7.885  -3.250   3.845
  698    HB   VAL  91           HB       VAL  91  -7.978  -2.321   1.654
  699   1HG1  VAL  91          1HG1      VAL  91  -9.258  -3.385  -0.177
  700   2HG1  VAL  91          2HG1      VAL  91  -9.397  -4.835   0.824
  701   3HG1  VAL  91          3HG1      VAL  91  -7.811  -4.272   0.294
  702   1HG2  VAL  91          1HG2      VAL  91  -9.873  -1.739   2.996
  703   2HG2  VAL  91          2HG2      VAL  91 -10.717  -3.213   2.533
  704   3HG2  VAL  91          3HG2      VAL  91 -10.411  -1.957   1.333
  705    H    SER  92           H        SER  92  -9.850  -3.452   4.803
  706    HA   SER  92           HA       SER  92 -11.308  -5.958   4.392
  707   1HB   SER  92          1HB       SER  92  -9.616  -6.297   6.253
  708   2HB   SER  92          2HB       SER  92 -10.479  -5.057   7.165
  709    HG   SER  92           HG       SER  92 -11.827  -7.313   6.118
  710    H    THR  93           H        THR  93 -13.199  -5.226   3.856
  711    HA   THR  93           HA       THR  93 -14.479  -3.148   5.512
  712    HB   THR  93           HB       THR  93 -15.210  -3.314   2.700
  713    HG1  THR  93           HG1      THR  93 -12.730  -3.251   3.056
  714   1HG2  THR  93          1HG2      THR  93 -16.338  -1.790   4.064
  715   2HG2  THR  93          2HG2      THR  93 -15.209  -0.828   3.097
  716   3HG2  THR  93          3HG2      THR  93 -14.832  -1.202   4.773
  717    H    LYS  94           H        LYS  94 -16.662  -3.386   5.743
  718    HA   LYS  94           HA       LYS  94 -18.322  -4.806   6.455
  719   1HB   LYS  94          1HB       LYS  94 -19.653  -5.465   4.242
  720   2HB   LYS  94          2HB       LYS  94 -19.664  -3.863   4.939
  721   1HG   LYS  94          1HG       LYS  94 -19.385  -3.477   2.669
  722   2HG   LYS  94          2HG       LYS  94 -17.746  -3.351   3.296
  723   1HD   LYS  94          1HD       LYS  94 -17.927  -4.605   1.162
  724   2HD   LYS  94          2HD       LYS  94 -17.197  -5.521   2.472
  725   1HE   LYS  94          1HE       LYS  94 -18.775  -6.833   1.093
  726   2HE   LYS  94          2HE       LYS  94 -19.194  -6.781   2.802
  727   1HZ   LYS  94          1HZ       LYS  94 -20.973  -5.333   2.396
  728   2HZ   LYS  94          2HZ       LYS  94 -21.058  -6.504   1.164
  729   3HZ   LYS  94          3HZ       LYS  94 -20.437  -4.964   0.828
  730    H    ASP  95           H        ASP  95 -17.334  -6.403   3.516
  731    HA   ASP  95           HA       ASP  95 -16.973  -8.917   4.818
  732   1HB   ASP  95          1HB       ASP  95 -19.465  -8.492   4.241
  733   2HB   ASP  95          2HB       ASP  95 -18.967  -8.820   2.595
  734    H    LYS  96           H        LYS  96 -16.082  -6.699   2.559
  735    HA   LYS  96           HA       LYS  96 -15.245  -8.636   0.590
  736   1HB   LYS  96          1HB       LYS  96 -15.637  -5.695   0.387
  737   2HB   LYS  96          2HB       LYS  96 -14.253  -6.353  -0.399
  738   1HG   LYS  96          1HG       LYS  96 -16.899  -7.620  -0.830
  739   2HG   LYS  96          2HG       LYS  96 -16.475  -6.132  -1.683
  740   1HD   LYS  96          1HD       LYS  96 -15.073  -8.795  -1.780
  741   2HD   LYS  96          2HD       LYS  96 -15.837  -7.913  -3.109
  742   1HE   LYS  96          1HE       LYS  96 -14.124  -6.060  -2.465
  743   2HE   LYS  96          2HE       LYS  96 -13.245  -7.399  -1.729
  744   1HZ   LYS  96          1HZ       LYS  96 -14.044  -7.113  -4.556
  745   2HZ   LYS  96          2HZ       LYS  96 -13.381  -8.535  -3.899
  746   3HZ   LYS  96          3HZ       LYS  96 -12.461  -7.112  -3.926
  747    H    PHE  97           H        PHE  97 -13.302  -9.143   0.333
  748    HA   PHE  97           HA       PHE  97 -11.232  -7.937   2.024
  749   1HB   PHE  97          1HB       PHE  97 -12.262 -10.046   2.917
  750   2HB   PHE  97          2HB       PHE  97 -11.553 -10.892   1.554
  751    HD1  PHE  97           HD1      PHE  97 -10.518  -8.541   4.266
  752    HD2  PHE  97           HD2      PHE  97  -9.546 -11.947   1.909
  753    HE1  PHE  97           HE1      PHE  97  -8.441  -8.839   5.554
  754    HE2  PHE  97           HE2      PHE  97  -7.471 -12.253   3.193
  755    HZ   PHE  97           HZ       PHE  97  -6.914 -10.692   5.018
  756    H    ASP  98           H        ASP  98  -9.469  -7.527   1.057
  757    HA   ASP  98           HA       ASP  98  -8.595  -8.944  -1.327
  758   1HB   ASP  98          1HB       ASP  98  -9.381  -6.062  -1.333
  759   2HB   ASP  98          2HB       ASP  98  -7.989  -6.544  -2.278
  760    H    CYS  99           H        CYS  99  -6.427  -8.919  -1.563
  761    HA   CYS  99           HA       CYS  99  -4.809  -7.238   0.163
  762   1HB   CYS  99          1HB       CYS  99  -4.518 -10.245   0.189
  763   2HB   CYS  99          2HB       CYS  99  -3.537  -9.088   1.079
  764    HG   CYS  99           HG       CYS  99  -6.264  -8.246   2.232
  765    H    SER 100           H        SER 100  -2.716  -7.004  -0.510
  766    HA   SER 100           HA       SER 100  -2.068  -8.229  -3.107
  767   1HB   SER 100          1HB       SER 100  -0.853  -5.976  -3.547
  768   2HB   SER 100          2HB       SER 100  -2.581  -6.096  -3.816
  769    HG   SER 100           HG       SER 100  -2.931  -5.111  -1.825
  770    H    ASN 101           H        ASN 101   0.012  -8.594  -3.556
  771    HA   ASN 101           HA       ASN 101   1.948  -8.154  -1.408
  772   1HB   ASN 101          1HB       ASN 101   2.953 -10.435  -2.144
  773   2HB   ASN 101          2HB       ASN 101   1.563 -10.421  -1.072
  774   1HD2  ASN 101          1HD2      ASN 101   1.554  -9.911  -4.599
  775   2HD2  ASN 101          2HD2      ASN 101   0.603 -11.320  -4.944
  776    H    PHE 102           H        PHE 102   3.463  -6.878  -2.137
  777    HA   PHE 102           HA       PHE 102   4.465  -7.241  -4.842
  778   1HB   PHE 102          1HB       PHE 102   4.330  -4.734  -5.177
  779   2HB   PHE 102          2HB       PHE 102   2.822  -5.632  -5.295
  780    HD1  PHE 102           HD1      PHE 102   4.542  -2.945  -3.716
  781    HD2  PHE 102           HD2      PHE 102   1.285  -5.645  -3.291
  782    HE1  PHE 102           HE1      PHE 102   3.506  -1.433  -2.076
  783    HE2  PHE 102           HE2      PHE 102   0.251  -4.144  -1.648
  784    HZ   PHE 102           HZ       PHE 102   1.356  -2.038  -1.043
  785    H    ASN 103           H        ASN 103   6.566  -6.851  -5.012
  786    HA   ASN 103           HA       ASN 103   7.881  -6.450  -2.452
  787   1HB   ASN 103          1HB       ASN 103   9.729  -7.753  -3.708
  788   2HB   ASN 103          2HB       ASN 103   8.350  -8.602  -3.078
  789   1HD2  ASN 103          1HD2      ASN 103   8.179 -10.262  -4.414
  790   2HD2  ASN 103          2HD2      ASN 103   8.049 -10.150  -6.130
  791    H    LEU 104           H        LEU 104   9.426  -5.170  -2.185
  792    HA   LEU 104           HA       LEU 104  10.360  -3.500  -4.439
  793   1HB   LEU 104          1HB       LEU 104   9.821  -1.869  -2.966
  794   2HB   LEU 104          2HB       LEU 104   9.995  -2.888  -1.548
  795    HG   LEU 104           HG       LEU 104  12.520  -2.559  -2.514
  796   1HD1  LEU 104          1HD1      LEU 104  11.025  -0.004  -2.858
  797   2HD1  LEU 104          2HD1      LEU 104  11.847  -0.938  -4.109
  798   3HD1  LEU 104          3HD1      LEU 104  12.782  -0.138  -2.841
  799   1HD2  LEU 104          1HD2      LEU 104  11.885  -2.478  -0.135
  800   2HD2  LEU 104          2HD2      LEU 104  11.218  -0.864  -0.400
  801   3HD2  LEU 104          3HD2      LEU 104  12.951  -1.148  -0.590
  802    H    THR 105           H        THR 105  12.087  -4.487  -5.313
  803    HA   THR 105           HA       THR 105  13.969  -5.800  -3.546
  804    HB   THR 105           HB       THR 105  14.266  -5.430  -6.511
  805    HG1  THR 105           HG1      THR 105  12.522  -6.677  -6.581
  806   1HG2  THR 105          1HG2      THR 105  15.702  -7.401  -6.347
  807   2HG2  THR 105          2HG2      THR 105  15.396  -7.481  -4.613
  808   3HG2  THR 105          3HG2      THR 105  16.279  -6.115  -5.288
  809    H    VAL 106           H        VAL 106  14.931  -4.240  -2.414
  810    HA   VAL 106           HA       VAL 106  15.900  -1.866  -3.657
  811    HB   VAL 106           HB       VAL 106  14.940  -1.696  -1.402
  812   1HG1  VAL 106          1HG1      VAL 106  17.239  -3.292  -0.410
  813   2HG1  VAL 106          2HG1      VAL 106  15.579  -3.871  -0.578
  814   3HG1  VAL 106          3HG1      VAL 106  15.943  -2.552   0.534
  815   1HG2  VAL 106          1HG2      VAL 106  17.828  -0.973  -1.647
  816   2HG2  VAL 106          2HG2      VAL 106  16.789  -0.424  -0.331
  817   3HG2  VAL 106          3HG2      VAL 106  16.423   0.041  -1.992
  818    H    HIS 107           H        HIS 107  17.566  -1.852  -4.625
  819    HA   HIS 107           HA       HIS 107  19.504  -3.978  -4.532
  820   1HB   HIS 107          1HB       HIS 107  19.204  -1.631  -6.417
  821   2HB   HIS 107          2HB       HIS 107  20.465  -2.852  -6.555
  822    HD1  HIS 107           HD1      HIS 107  19.605  -5.343  -7.031
  823    HD2  HIS 107           HD2      HIS 107  16.827  -2.292  -7.612
  824    HE1  HIS 107           HE1      HIS 107  17.758  -6.349  -8.408
  825    HE2  HIS 107           HE2      HIS 107  16.174  -4.453  -8.882
  826    H    GLU 108           H        GLU 108  20.630  -3.680  -2.780
  827    HA   GLU 108           HA       GLU 108  22.029  -1.268  -2.154
  828   1HB   GLU 108          1HB       GLU 108  21.432  -3.052  -0.490
  829   2HB   GLU 108          2HB       GLU 108  22.662  -4.074  -1.220
  830   1HG   GLU 108          1HG       GLU 108  24.322  -2.269  -0.707
  831   2HG   GLU 108          2HG       GLU 108  23.056  -1.476   0.228
  832    H    ALA 109           H        ALA 109  23.428  -4.436  -2.876
  833    HA   ALA 109           HA       ALA 109  25.342  -3.130  -4.683
  834   1HB   ALA 109          1HB       ALA 109  26.441  -3.602  -2.547
  835   2HB   ALA 109          2HB       ALA 109  27.097  -4.613  -3.831
  836   3HB   ALA 109          3HB       ALA 109  25.960  -5.292  -2.667
  837    H    MET 110           H        MET 110  22.787  -4.905  -4.760
  838    HA   MET 110           HA       MET 110  23.662  -6.518  -6.994
  839   1HB   MET 110          1HB       MET 110  23.966  -7.995  -4.992
  840   2HB   MET 110          2HB       MET 110  22.251  -7.824  -4.656
  841   1HG   MET 110          1HG       MET 110  21.793  -8.808  -6.905
  842   2HG   MET 110          2HG       MET 110  23.519  -9.125  -7.056
  843   1HE   MET 110          1HE       MET 110  20.701 -11.080  -3.979
  844   2HE   MET 110          2HE       MET 110  20.199  -9.956  -5.244
  845   3HE   MET 110          3HE       MET 110  21.165  -9.380  -3.885
  Start of MODEL   23
    1    H    ASP   1           H        ASP   1 -18.429 -11.996   0.283
    2    HA   ASP   1           HA       ASP   1 -17.224  -9.877   0.226
    3   1HB   ASP   1          1HB       ASP   1 -15.504  -9.562  -1.470
    4   2HB   ASP   1          2HB       ASP   1 -15.005 -10.763  -0.285
    5    H    ASP   2           H        ASP   2 -18.821  -8.790  -0.495
    6    HA   ASP   2           HA       ASP   2 -20.483  -9.515  -2.645
    7   1HB   ASP   2          1HB       ASP   2 -20.072  -7.108  -0.906
    8   2HB   ASP   2          2HB       ASP   2 -21.282  -7.119  -2.172
    9    HA   PRO   3           HA       PRO   3 -18.549  -7.415  -6.074
   10   1HB   PRO   3          1HB       PRO   3 -20.611  -6.158  -7.315
   11   2HB   PRO   3          2HB       PRO   3 -20.383  -7.910  -7.365
   12   1HG   PRO   3          1HG       PRO   3 -22.200  -6.285  -5.628
   13   2HG   PRO   3          2HG       PRO   3 -22.535  -7.802  -6.484
   14   1HD   PRO   3          1HD       PRO   3 -21.968  -7.713  -3.839
   15   2HD   PRO   3          2HD       PRO   3 -21.509  -9.085  -4.867
   16    H    ILE   4           H        ILE   4 -17.719  -6.081  -4.127
   17    HA   ILE   4           HA       ILE   4 -18.366  -3.239  -4.349
   18    HB   ILE   4           HB       ILE   4 -16.651  -4.914  -2.573
   19   1HG1  ILE   4          1HG1      ILE   4 -17.772  -3.505  -0.841
   20   2HG1  ILE   4          2HG1      ILE   4 -18.651  -2.696  -2.139
   21   1HG2  ILE   4          1HG2      ILE   4 -15.020  -3.273  -3.163
   22   2HG2  ILE   4          2HG2      ILE   4 -15.679  -2.787  -1.601
   23   3HG2  ILE   4          3HG2      ILE   4 -16.206  -1.968  -3.066
   24   1HD1  ILE   4          1HD1      ILE   4 -19.612  -4.851  -2.794
   25   2HD1  ILE   4          2HD1      ILE   4 -20.019  -4.401  -1.138
   26   3HD1  ILE   4          3HD1      ILE   4 -18.766  -5.609  -1.442
   27    H    GLY   5           H        GLY   5 -15.557  -5.353  -4.634
   28   1HA   GLY   5          1HA       GLY   5 -13.890  -5.324  -6.295
   29   2HA   GLY   5          2HA       GLY   5 -14.631  -3.863  -6.958
   30    H    LEU   6           H        LEU   6 -13.596  -4.847  -3.821
   31    HA   LEU   6           HA       LEU   6 -12.965  -2.403  -2.754
   32   1HB   LEU   6          1HB       LEU   6 -13.139  -4.914  -1.871
   33   2HB   LEU   6          2HB       LEU   6 -11.393  -4.809  -1.988
   34    HG   LEU   6           HG       LEU   6 -11.337  -3.045  -0.378
   35   1HD1  LEU   6          1HD1      LEU   6 -13.294  -2.075   0.623
   36   2HD1  LEU   6          2HD1      LEU   6 -14.335  -3.145  -0.311
   37   3HD1  LEU   6          3HD1      LEU   6 -13.404  -1.890  -1.129
   38   1HD2  LEU   6          1HD2      LEU   6 -11.510  -5.357   0.390
   39   2HD2  LEU   6          2HD2      LEU   6 -13.266  -5.165   0.491
   40   3HD2  LEU   6          3HD2      LEU   6 -12.205  -4.210   1.535
   41    H    PHE   7           H        PHE   7 -10.884  -4.789  -4.276
   42    HA   PHE   7           HA       PHE   7  -8.717  -2.933  -4.520
   43   1HB   PHE   7          1HB       PHE   7  -9.176  -5.766  -4.899
   44   2HB   PHE   7          2HB       PHE   7  -8.236  -5.082  -6.233
   45    HD1  PHE   7           HD1      PHE   7  -7.921  -3.416  -3.043
   46    HD2  PHE   7           HD2      PHE   7  -6.411  -6.579  -5.456
   47    HE1  PHE   7           HE1      PHE   7  -5.897  -3.508  -1.650
   48    HE2  PHE   7           HE2      PHE   7  -4.388  -6.675  -4.083
   49    HZ   PHE   7           HZ       PHE   7  -4.129  -5.142  -2.164
   50    H    VAL   8           H        VAL   8  -9.868  -1.288  -5.562
   51    HA   VAL   8           HA       VAL   8 -11.031  -1.490  -8.130
   52    HB   VAL   8           HB       VAL   8  -9.627   0.931  -6.973
   53   1HG1  VAL   8          1HG1      VAL   8 -11.217   2.206  -8.327
   54   2HG1  VAL   8          2HG1      VAL   8 -11.877   0.704  -8.972
   55   3HG1  VAL   8          3HG1      VAL   8 -10.209   1.160  -9.325
   56   1HG2  VAL   8          1HG2      VAL   8 -11.811   1.568  -6.041
   57   2HG2  VAL   8          2HG2      VAL   8 -11.203   0.073  -5.333
   58   3HG2  VAL   8          3HG2      VAL   8 -12.473   0.018  -6.556
   59    H    MET   9           H        MET   9  -7.822  -1.191  -6.942
   60    HA   MET   9           HA       MET   9  -6.714  -2.237  -9.344
   61   1HB   MET   9          1HB       MET   9  -6.782   0.185  -9.904
   62   2HB   MET   9          2HB       MET   9  -5.806   0.509  -8.478
   63   1HG   MET   9          1HG       MET   9  -4.402   0.509 -10.421
   64   2HG   MET   9          2HG       MET   9  -4.023  -0.887  -9.412
   65   1HE   MET   9          1HE       MET   9  -2.704  -2.025 -11.420
   66   2HE   MET   9          2HE       MET   9  -3.054  -0.615 -12.420
   67   3HE   MET   9          3HE       MET   9  -3.384  -2.236 -13.034
   68    H    ARG  10           H        ARG  10  -4.611  -3.160  -8.842
   69    HA   ARG  10           HA       ARG  10  -3.917  -2.876  -6.009
   70   1HB   ARG  10          1HB       ARG  10  -2.976  -5.111  -6.073
   71   2HB   ARG  10          2HB       ARG  10  -4.679  -5.128  -6.483
   72   1HG   ARG  10          1HG       ARG  10  -4.266  -5.712  -8.685
   73   2HG   ARG  10          2HG       ARG  10  -2.609  -5.093  -8.645
   74   1HD   ARG  10          1HD       ARG  10  -3.569  -7.473  -7.055
   75   2HD   ARG  10          2HD       ARG  10  -2.769  -7.589  -8.630
   76    HE   ARG  10           HE       ARG  10  -1.381  -6.125  -6.526
   77   1HH1  ARG  10          1HH1      ARG  10  -1.732  -9.144  -8.253
   78   2HH1  ARG  10          2HH1      ARG  10  -0.094  -9.639  -7.970
   79   1HH2  ARG  10          1HH2      ARG  10   0.757  -6.759  -6.142
   80   2HH2  ARG  10          2HH2      ARG  10   1.353  -8.256  -6.789
   81    HA   PRO  11           HA       PRO  11  -0.057  -1.275  -7.300
   82   1HB   PRO  11          1HB       PRO  11   1.217  -1.898  -4.835
   83   2HB   PRO  11          2HB       PRO  11   0.491  -0.366  -5.324
   84   1HG   PRO  11          1HG       PRO  11  -0.450  -2.102  -3.338
   85   2HG   PRO  11          2HG       PRO  11  -1.323  -0.731  -4.038
   86   1HD   PRO  11          1HD       PRO  11  -1.623  -3.623  -4.546
   87   2HD   PRO  11          2HD       PRO  11  -2.800  -2.312  -4.737
   88    H    GLN  12           H        GLN  12   2.333  -1.822  -7.216
   89    HA   GLN  12           HA       GLN  12   2.710  -4.681  -7.739
   90   1HB   GLN  12          1HB       GLN  12   3.461  -2.327  -9.470
   91   2HB   GLN  12          2HB       GLN  12   3.922  -3.994  -9.784
   92   1HG   GLN  12          1HG       GLN  12   1.069  -3.111  -9.523
   93   2HG   GLN  12          2HG       GLN  12   1.928  -3.121 -11.061
   94   1HE2  GLN  12          1HE2      GLN  12   0.851  -5.202  -8.385
   95   2HE2  GLN  12          2HE2      GLN  12   0.765  -6.643  -9.343
   96    H    ASP  13           H        ASP  13   5.083  -5.230  -7.969
   97    HA   ASP  13           HA       ASP  13   6.557  -4.458  -5.797
   98   1HB   ASP  13          1HB       ASP  13   7.625  -5.731  -8.298
   99   2HB   ASP  13          2HB       ASP  13   8.015  -6.079  -6.626
  100    H    GLY  14           H        GLY  14   8.969  -4.606  -7.536
  101   1HA   GLY  14          1HA       GLY  14   9.705  -2.628  -9.080
  102   2HA   GLY  14          2HA       GLY  14   9.416  -1.736  -7.596
  103    H    GLU  15           H        GLU  15  11.773  -2.476  -9.242
  104    HA   GLU  15           HA       GLU  15  13.514  -3.404  -7.047
  105   1HB   GLU  15          1HB       GLU  15  13.998  -3.583 -10.033
  106   2HB   GLU  15          2HB       GLU  15  15.151  -4.057  -8.797
  107   1HG   GLU  15          1HG       GLU  15  13.447  -5.731  -8.009
  108   2HG   GLU  15          2HG       GLU  15  12.522  -5.341  -9.462
  109    H    VAL  16           H        VAL  16  14.800  -1.805  -6.224
  110    HA   VAL  16           HA       VAL  16  15.518   0.405  -7.882
  111    HB   VAL  16           HB       VAL  16  14.672   2.002  -6.459
  112   1HG1  VAL  16          1HG1      VAL  16  12.559  -0.109  -6.489
  113   2HG1  VAL  16          2HG1      VAL  16  12.892   1.060  -7.765
  114   3HG1  VAL  16          3HG1      VAL  16  12.280   1.610  -6.203
  115   1HG2  VAL  16          1HG2      VAL  16  14.112  -0.085  -4.376
  116   2HG2  VAL  16          2HG2      VAL  16  13.763   1.637  -4.221
  117   3HG2  VAL  16          3HG2      VAL  16  15.433   1.085  -4.347
  118    H    THR  17           H        THR  17  17.077   1.666  -6.691
  119    HA   THR  17           HA       THR  17  18.993  -0.049  -5.323
  120    HB   THR  17           HB       THR  17  19.602   2.811  -5.867
  121    HG1  THR  17           HG1      THR  17  18.609   1.279  -7.785
  122   1HG2  THR  17          1HG2      THR  17  21.177   0.265  -6.203
  123   2HG2  THR  17          2HG2      THR  17  21.284   1.384  -4.843
  124   3HG2  THR  17          3HG2      THR  17  21.799   1.895  -6.452
  125    H    VAL  18           H        VAL  18  19.996   0.658  -3.350
  126    HA   VAL  18           HA       VAL  18  18.307   1.898  -1.467
  127    HB   VAL  18           HB       VAL  18  21.257   1.687  -1.140
  128   1HG1  VAL  18          1HG1      VAL  18  20.719   1.581   1.248
  129   2HG1  VAL  18          2HG1      VAL  18  19.008   1.724   0.844
  130   3HG1  VAL  18          3HG1      VAL  18  20.113   3.052   0.486
  131   1HG2  VAL  18          1HG2      VAL  18  20.440  -0.550  -1.747
  132   2HG2  VAL  18          2HG2      VAL  18  19.262  -0.450  -0.435
  133   3HG2  VAL  18          3HG2      VAL  18  20.986  -0.485  -0.069
  134    H    GLY  19           H        GLY  19  17.842   3.750  -1.832
  135   1HA   GLY  19          1HA       GLY  19  18.548   6.012  -1.060
  136   2HA   GLY  19          2HA       GLY  19  19.902   5.819  -2.161
  137    H    GLY  20           H        GLY  20  17.185   4.515  -3.714
  138   1HA   GLY  20          1HA       GLY  20  16.874   7.015  -5.165
  139   2HA   GLY  20          2HA       GLY  20  16.350   5.436  -5.678
  140    H    SER  21           H        SER  21  14.416   5.347  -5.794
  141    HA   SER  21           HA       SER  21  12.672   5.994  -3.664
  142   1HB   SER  21          1HB       SER  21  11.157   7.136  -5.276
  143   2HB   SER  21          2HB       SER  21  12.590   8.019  -4.829
  144    HG   SER  21           HG       SER  21  13.488   7.593  -6.793
  145    H    ILE  22           H        ILE  22  10.576   5.256  -4.089
  146    HA   ILE  22           HA       ILE  22  10.028   3.521  -6.244
  147    HB   ILE  22           HB       ILE  22  10.932   2.007  -4.595
  148   1HG1  ILE  22          1HG1      ILE  22   9.006   0.473  -4.451
  149   2HG1  ILE  22          2HG1      ILE  22   7.978   1.776  -5.020
  150   1HG2  ILE  22          1HG2      ILE  22   9.778   1.549  -2.487
  151   2HG2  ILE  22          2HG2      ILE  22   8.720   2.926  -2.795
  152   3HG2  ILE  22          3HG2      ILE  22  10.448   3.179  -2.542
  153   1HD1  ILE  22          1HD1      ILE  22   8.548   0.257  -6.823
  154   2HD1  ILE  22          2HD1      ILE  22  10.267   0.535  -6.536
  155   3HD1  ILE  22          3HD1      ILE  22   9.243   1.852  -7.108
  156    H    THR  23           H        THR  23   7.893   3.184  -6.388
  157    HA   THR  23           HA       THR  23   6.134   4.966  -4.914
  158    HB   THR  23           HB       THR  23   6.188   5.044  -7.915
  159    HG1  THR  23           HG1      THR  23   7.827   6.237  -6.248
  160   1HG2  THR  23          1HG2      THR  23   4.681   6.693  -5.883
  161   2HG2  THR  23          2HG2      THR  23   3.984   5.439  -6.912
  162   3HG2  THR  23          3HG2      THR  23   4.628   6.917  -7.635
  163    H    PHE  24           H        PHE  24   4.331   4.091  -4.487
  164    HA   PHE  24           HA       PHE  24   3.257   1.957  -6.174
  165   1HB   PHE  24          1HB       PHE  24   3.066   2.127  -3.162
  166   2HB   PHE  24          2HB       PHE  24   2.447   0.857  -4.191
  167    HD1  PHE  24           HD1      PHE  24   4.460  -0.090  -5.828
  168    HD2  PHE  24           HD2      PHE  24   4.883   1.556  -1.929
  169    HE1  PHE  24           HE1      PHE  24   6.557  -1.341  -5.528
  170    HE2  PHE  24           HE2      PHE  24   6.978   0.308  -1.622
  171    HZ   PHE  24           HZ       PHE  24   7.816  -1.148  -3.420
  172    H    SER  25           H        SER  25   1.016   1.865  -6.199
  173    HA   SER  25           HA       SER  25  -0.536   3.888  -4.854
  174   1HB   SER  25          1HB       SER  25  -1.194   3.221  -7.683
  175   2HB   SER  25          2HB       SER  25  -1.611   4.645  -6.757
  176    HG   SER  25           HG       SER  25   0.857   4.908  -6.778
  177    H    ALA  26           H        ALA  26  -2.271   3.087  -4.043
  178    HA   ALA  26           HA       ALA  26  -3.334   0.491  -4.927
  179   1HB   ALA  26          1HB       ALA  26  -3.839   0.007  -2.503
  180   2HB   ALA  26          2HB       ALA  26  -2.808   1.378  -2.090
  181   3HB   ALA  26          3HB       ALA  26  -2.130  -0.007  -2.924
  182    H    ARG  27           H        ARG  27  -5.335   0.759  -5.641
  183    HA   ARG  27           HA       ARG  27  -6.937   2.995  -4.615
  184   1HB   ARG  27          1HB       ARG  27  -7.479   1.256  -7.022
  185   2HB   ARG  27          2HB       ARG  27  -8.257   2.779  -6.619
  186   1HG   ARG  27          1HG       ARG  27  -6.110   3.931  -6.929
  187   2HG   ARG  27          2HG       ARG  27  -5.384   2.398  -7.417
  188   1HD   ARG  27          1HD       ARG  27  -5.941   3.495  -9.418
  189   2HD   ARG  27          2HD       ARG  27  -7.188   2.262  -9.188
  190    HE   ARG  27           HE       ARG  27  -8.418   4.309  -8.102
  191   1HH1  ARG  27          1HH1      ARG  27  -6.424   4.315 -10.986
  192   2HH1  ARG  27          2HH1      ARG  27  -7.297   5.622 -11.725
  193   1HH2  ARG  27          1HH2      ARG  27  -9.529   6.068  -9.066
  194   2HH2  ARG  27          2HH2      ARG  27  -9.038   6.628 -10.637
  195    H    VAL  28           H        VAL  28  -8.673   2.632  -3.328
  196    HA   VAL  28           HA       VAL  28  -9.748  -0.074  -3.232
  197    HB   VAL  28           HB       VAL  28  -9.475   1.661  -0.788
  198   1HG1  VAL  28          1HG1      VAL  28 -11.266  -0.105  -0.895
  199   2HG1  VAL  28          2HG1      VAL  28 -10.092  -0.325   0.409
  200   3HG1  VAL  28          3HG1      VAL  28  -9.980  -1.306  -1.051
  201   1HG2  VAL  28          1HG2      VAL  28  -7.601   0.179  -0.146
  202   2HG2  VAL  28          2HG2      VAL  28  -7.246   1.147  -1.576
  203   3HG2  VAL  28          3HG2      VAL  28  -7.664  -0.558  -1.747
  204    H    ALA  29           H        ALA  29 -11.729  -0.174  -3.423
  205    HA   ALA  29           HA       ALA  29 -13.463   1.952  -3.938
  206   1HB   ALA  29          1HB       ALA  29 -14.092  -0.922  -3.296
  207   2HB   ALA  29          2HB       ALA  29 -13.786  -0.259  -4.903
  208   3HB   ALA  29          3HB       ALA  29 -15.214   0.246  -3.996
  209    H    GLY  30           H        GLY  30 -13.889   3.356  -2.396
  210   1HA   GLY  30          1HA       GLY  30 -14.233   3.081   0.317
  211   2HA   GLY  30          2HA       GLY  30 -15.176   4.202  -0.661
  212    H    ALA  31           H        ALA  31 -16.809   2.826  -2.091
  213    HA   ALA  31           HA       ALA  31 -18.534   1.429  -2.368
  214   1HB   ALA  31          1HB       ALA  31 -17.550  -0.468  -0.295
  215   2HB   ALA  31          2HB       ALA  31 -16.569  -0.186  -1.730
  216   3HB   ALA  31          3HB       ALA  31 -18.220  -0.792  -1.904
  217    H    SER  32           H        SER  32 -18.322   0.115   0.806
  218    HA   SER  32           HA       SER  32 -20.486   1.750   1.798
  219   1HB   SER  32          1HB       SER  32 -21.765  -0.444   2.330
  220   2HB   SER  32          2HB       SER  32 -21.861   0.211   0.696
  221    HG   SER  32           HG       SER  32 -20.491  -1.333  -0.015
  222    H    LEU  33           H        LEU  33 -20.298  -1.386   3.166
  223    HA   LEU  33           HA       LEU  33 -19.626  -2.123   5.205
  224   1HB   LEU  33          1HB       LEU  33 -17.406  -2.094   4.499
  225   2HB   LEU  33          2HB       LEU  33 -17.366  -0.361   4.344
  226    HG   LEU  33           HG       LEU  33 -16.975  -0.069   6.635
  227   1HD1  LEU  33          1HD1      LEU  33 -16.749  -1.974   8.231
  228   2HD1  LEU  33          2HD1      LEU  33 -17.372  -3.044   6.975
  229   3HD1  LEU  33          3HD1      LEU  33 -18.397  -1.773   7.638
  230   1HD2  LEU  33          1HD2      LEU  33 -15.001  -0.536   5.451
  231   2HD2  LEU  33          2HD2      LEU  33 -15.259  -2.273   5.604
  232   3HD2  LEU  33          3HD2      LEU  33 -14.895  -1.309   7.033
  233    H    LEU  34           H        LEU  34 -19.609  -1.543   7.484
  234    HA   LEU  34           HA       LEU  34 -21.493   0.329   8.197
  235   1HB   LEU  34          1HB       LEU  34 -20.668  -1.569   9.587
  236   2HB   LEU  34          2HB       LEU  34 -19.249  -0.601   9.954
  237    HG   LEU  34           HG       LEU  34 -20.840   1.152  10.827
  238   1HD1  LEU  34          1HD1      LEU  34 -22.770  -1.149  10.661
  239   2HD1  LEU  34          2HD1      LEU  34 -22.871   0.384   9.793
  240   3HD1  LEU  34          3HD1      LEU  34 -23.048   0.350  11.546
  241   1HD2  LEU  34          1HD2      LEU  34 -19.496  -0.240  12.304
  242   2HD2  LEU  34          2HD2      LEU  34 -20.715  -1.514  12.230
  243   3HD2  LEU  34          3HD2      LEU  34 -21.095   0.027  12.998
  244    H    LYS  35           H        LYS  35 -18.176   0.635   7.646
  245    HA   LYS  35           HA       LYS  35 -18.200   3.536   7.863
  246   1HB   LYS  35          1HB       LYS  35 -15.742   3.092   8.827
  247   2HB   LYS  35          2HB       LYS  35 -17.137   3.276   9.882
  248   1HG   LYS  35          1HG       LYS  35 -16.120   1.407  10.753
  249   2HG   LYS  35          2HG       LYS  35 -17.313   0.691   9.669
  250   1HD   LYS  35          1HD       LYS  35 -15.253  -0.466   9.350
  251   2HD   LYS  35          2HD       LYS  35 -15.517   0.548   7.924
  252   1HE   LYS  35          1HE       LYS  35 -13.238   0.775   8.540
  253   2HE   LYS  35          2HE       LYS  35 -14.049   2.268   9.000
  254   1HZ   LYS  35          1HZ       LYS  35 -13.337   0.037  10.833
  255   2HZ   LYS  35          2HZ       LYS  35 -14.163   1.446  11.285
  256   3HZ   LYS  35          3HZ       LYS  35 -12.560   1.541  10.742
  257    HA   PRO  36           HA       PRO  36 -15.784   3.103   4.112
  258   1HB   PRO  36          1HB       PRO  36 -13.392   4.460   5.140
  259   2HB   PRO  36          2HB       PRO  36 -14.498   4.986   3.868
  260   1HG   PRO  36          1HG       PRO  36 -14.360   6.191   6.292
  261   2HG   PRO  36          2HG       PRO  36 -15.852   6.114   5.337
  262   1HD   PRO  36          1HD       PRO  36 -15.028   4.446   7.678
  263   2HD   PRO  36          2HD       PRO  36 -16.620   5.109   7.283
  264    HA   PRO  37           HA       PRO  37 -13.377  -0.559   4.673
  265   1HB   PRO  37          1HB       PRO  37 -11.496   0.467   2.645
  266   2HB   PRO  37          2HB       PRO  37 -12.346  -1.076   2.713
  267   1HG   PRO  37          1HG       PRO  37 -13.233   0.728   1.013
  268   2HG   PRO  37          2HG       PRO  37 -14.386  -0.153   2.049
  269   1HD   PRO  37          1HD       PRO  37 -13.348   2.632   2.370
  270   2HD   PRO  37          2HD       PRO  37 -15.022   2.000   2.481
  271    H    VAL  38           H        VAL  38 -11.678  -1.300   5.716
  272    HA   VAL  38           HA       VAL  38  -9.742   0.631   6.734
  273    HB   VAL  38           HB       VAL  38  -9.806  -2.150   7.711
  274   1HG1  VAL  38          1HG1      VAL  38  -9.119  -1.123   9.816
  275   2HG1  VAL  38          2HG1      VAL  38  -9.309   0.472   9.086
  276   3HG1  VAL  38          3HG1      VAL  38  -8.085  -0.640   8.471
  277   1HG2  VAL  38          1HG2      VAL  38 -12.182  -1.528   7.772
  278   2HG2  VAL  38          2HG2      VAL  38 -11.763  -0.109   8.732
  279   3HG2  VAL  38          3HG2      VAL  38 -11.507  -1.722   9.389
  280    H    VAL  39           H        VAL  39  -8.293   0.636   5.317
  281    HA   VAL  39           HA       VAL  39  -7.155  -1.812   4.278
  282    HB   VAL  39           HB       VAL  39  -6.322   0.890   3.350
  283   1HG1  VAL  39          1HG1      VAL  39  -4.985  -0.971   2.638
  284   2HG1  VAL  39          2HG1      VAL  39  -5.858  -0.319   1.250
  285   3HG1  VAL  39          3HG1      VAL  39  -6.413  -1.805   2.022
  286   1HG2  VAL  39          1HG2      VAL  39  -8.693  -0.575   2.206
  287   2HG2  VAL  39          2HG2      VAL  39  -8.009   0.941   1.615
  288   3HG2  VAL  39          3HG2      VAL  39  -8.783   0.880   3.198
  289    H    LYS  40           H        LYS  40  -5.558  -2.391   5.434
  290    HA   LYS  40           HA       LYS  40  -3.773  -0.473   6.610
  291   1HB   LYS  40          1HB       LYS  40  -3.013  -2.384   8.022
  292   2HB   LYS  40          2HB       LYS  40  -4.646  -1.854   8.325
  293   1HG   LYS  40          1HG       LYS  40  -4.952  -4.108   8.316
  294   2HG   LYS  40          2HG       LYS  40  -5.211  -3.754   6.609
  295   1HD   LYS  40          1HD       LYS  40  -3.776  -5.658   6.720
  296   2HD   LYS  40          2HD       LYS  40  -2.781  -4.290   6.214
  297   1HE   LYS  40          1HE       LYS  40  -2.021  -4.024   8.549
  298   2HE   LYS  40          2HE       LYS  40  -2.972  -5.439   9.003
  299   1HZ   LYS  40          1HZ       LYS  40  -1.637  -6.707   7.326
  300   2HZ   LYS  40          2HZ       LYS  40  -0.756  -6.154   8.668
  301   3HZ   LYS  40          3HZ       LYS  40  -0.631  -5.350   7.190
  302    H    TRP  41           H        TRP  41  -1.963  -0.318   5.937
  303    HA   TRP  41           HA       TRP  41  -0.869  -2.107   3.961
  304   1HB   TRP  41          1HB       TRP  41  -0.040   0.555   5.045
  305   2HB   TRP  41          2HB       TRP  41   0.978  -0.375   3.947
  306    HD1  TRP  41           HD1      TRP  41  -2.427   1.393   4.067
  307    HE1  TRP  41           HE1      TRP  41  -3.048   1.998   1.612
  308    HE3  TRP  41           HE3      TRP  41   1.317  -1.079   1.619
  309    HZ2  TRP  41           HZ2      TRP  41  -2.139   1.384  -0.959
  310    HZ3  TRP  41           HZ3      TRP  41   1.358  -1.028  -0.833
  311    HH2  TRP  41           HH2      TRP  41  -0.352   0.183  -2.089
  312    H    PHE  42           H        PHE  42   1.165  -2.906   4.040
  313    HA   PHE  42           HA       PHE  42   2.461  -3.168   6.660
  314   1HB   PHE  42          1HB       PHE  42   1.260  -5.312   5.913
  315   2HB   PHE  42          2HB       PHE  42   2.370  -5.327   4.551
  316    HD1  PHE  42           HD1      PHE  42   4.788  -5.685   4.919
  317    HD2  PHE  42           HD2      PHE  42   1.944  -6.051   8.061
  318    HE1  PHE  42           HE1      PHE  42   6.432  -6.939   6.255
  319    HE2  PHE  42           HE2      PHE  42   3.580  -7.309   9.404
  320    HZ   PHE  42           HZ       PHE  42   5.823  -7.758   8.498
  321    H    LYS  43           H        LYS  43   4.665  -2.751   6.473
  322    HA   LYS  43           HA       LYS  43   5.474  -2.076   3.712
  323   1HB   LYS  43          1HB       LYS  43   5.600  -0.088   4.942
  324   2HB   LYS  43          2HB       LYS  43   6.229  -0.872   6.379
  325   1HG   LYS  43          1HG       LYS  43   8.361  -1.185   5.355
  326   2HG   LYS  43          2HG       LYS  43   7.746  -0.646   3.791
  327   1HD   LYS  43          1HD       LYS  43   8.927   1.172   4.650
  328   2HD   LYS  43          2HD       LYS  43   7.231   1.552   4.923
  329   1HE   LYS  43          1HE       LYS  43   9.128   0.423   6.977
  330   2HE   LYS  43          2HE       LYS  43   8.649   2.115   6.856
  331   1HZ   LYS  43          1HZ       LYS  43   6.831  -0.168   7.400
  332   2HZ   LYS  43          2HZ       LYS  43   6.364   1.451   7.278
  333   3HZ   LYS  43          3HZ       LYS  43   7.373   0.959   8.537
  334    H    GLY  44           H        GLY  44   6.834  -3.720   3.016
  335   1HA   GLY  44          1HA       GLY  44   7.644  -5.531   5.119
  336   2HA   GLY  44          2HA       GLY  44   7.811  -5.810   3.404
  337    H    LYS  45           H        LYS  45   9.350  -3.926   6.004
  338    HA   LYS  45           HA       LYS  45  11.553  -5.674   5.217
  339   1HB   LYS  45          1HB       LYS  45  11.889  -3.158   5.956
  340   2HB   LYS  45          2HB       LYS  45  11.647  -3.803   7.565
  341   1HG   LYS  45          1HG       LYS  45  13.526  -5.318   7.260
  342   2HG   LYS  45          2HG       LYS  45  13.754  -4.699   5.619
  343   1HD   LYS  45          1HD       LYS  45  14.315  -2.528   6.452
  344   2HD   LYS  45          2HD       LYS  45  13.901  -3.002   8.103
  345   1HE   LYS  45          1HE       LYS  45  15.723  -4.629   8.102
  346   2HE   LYS  45          2HE       LYS  45  16.117  -4.198   6.438
  347   1HZ   LYS  45          1HZ       LYS  45  16.227  -2.313   8.734
  348   2HZ   LYS  45          2HZ       LYS  45  16.729  -2.012   7.146
  349   3HZ   LYS  45          3HZ       LYS  45  17.564  -3.138   8.094
  350    H    TRP  46           H        TRP  46   8.809  -5.193   7.048
  351    HA   TRP  46           HA       TRP  46   8.388  -7.312   8.603
  352   1HB   TRP  46          1HB       TRP  46   9.317  -6.705  10.763
  353   2HB   TRP  46          2HB       TRP  46  10.562  -7.056   9.600
  354    HD1  TRP  46           HD1      TRP  46  11.747  -4.815   8.512
  355    HE1  TRP  46           HE1      TRP  46  12.378  -2.591   9.604
  356    HE3  TRP  46           HE3      TRP  46   8.783  -5.169  12.637
  357    HZ2  TRP  46           HZ2      TRP  46  11.708  -1.175  11.995
  358    HZ3  TRP  46           HZ3      TRP  46   8.832  -3.349  14.288
  359    HH2  TRP  46           HH2      TRP  46  10.263  -1.393  13.972
  360    H    VAL  47           H        VAL  47   8.134  -3.994   8.112
  361    HA   VAL  47           HA       VAL  47   6.836  -3.289  10.510
  362    HB   VAL  47           HB       VAL  47   7.034  -1.081   8.777
  363   1HG1  VAL  47          1HG1      VAL  47   8.663  -1.849  11.179
  364   2HG1  VAL  47          2HG1      VAL  47   7.125  -0.985  11.189
  365   3HG1  VAL  47          3HG1      VAL  47   8.558  -0.231  10.490
  366   1HG2  VAL  47          1HG2      VAL  47   9.484  -0.950   8.448
  367   2HG2  VAL  47          2HG2      VAL  47   8.692  -2.140   7.424
  368   3HG2  VAL  47          3HG2      VAL  47   9.596  -2.661   8.856
  369    H    ASP  48           H        ASP  48   5.351  -1.593  10.243
  370    HA   ASP  48           HA       ASP  48   3.199  -2.058   8.338
  371   1HB   ASP  48          1HB       ASP  48   2.702  -2.396  10.802
  372   2HB   ASP  48          2HB       ASP  48   3.112  -0.696  11.052
  373    H    LEU  49           H        LEU  49   2.309  -0.058   7.502
  374    HA   LEU  49           HA       LEU  49   4.246   2.090   7.418
  375   1HB   LEU  49          1HB       LEU  49   1.703   1.663   5.865
  376   2HB   LEU  49          2HB       LEU  49   2.634   3.141   5.788
  377    HG   LEU  49           HG       LEU  49   4.575   1.547   5.028
  378   1HD1  LEU  49          1HD1      LEU  49   3.154  -0.508   5.379
  379   2HD1  LEU  49          2HD1      LEU  49   3.903  -0.318   3.792
  380   3HD1  LEU  49          3HD1      LEU  49   2.186   0.046   4.002
  381   1HD2  LEU  49          1HD2      LEU  49   2.235   2.223   3.285
  382   2HD2  LEU  49          2HD2      LEU  49   3.882   1.886   2.741
  383   3HD2  LEU  49          3HD2      LEU  49   3.550   3.321   3.718
  384    H    SER  50           H        SER  50   1.070   1.567   8.789
  385    HA   SER  50           HA       SER  50   0.208   4.257   8.635
  386   1HB   SER  50          1HB       SER  50  -1.309   2.277   8.983
  387   2HB   SER  50          2HB       SER  50  -0.679   2.143  10.625
  388    HG   SER  50           HG       SER  50  -1.826   4.544   9.645
  389    H    SER  51           H        SER  51   2.432   2.609  10.536
  390    HA   SER  51           HA       SER  51   2.204   4.328  12.775
  391   1HB   SER  51          1HB       SER  51   4.225   2.859  13.494
  392   2HB   SER  51          2HB       SER  51   2.618   2.168  13.418
  393    HG   SER  51           HG       SER  51   3.305   0.841  11.985
  394    H    LYS  52           H        LYS  52   4.161   3.808  10.062
  395    HA   LYS  52           HA       LYS  52   6.229   5.625  10.951
  396   1HB   LYS  52          1HB       LYS  52   6.446   4.436   8.277
  397   2HB   LYS  52          2HB       LYS  52   7.625   4.573   9.549
  398   1HG   LYS  52          1HG       LYS  52   5.470   2.522   9.287
  399   2HG   LYS  52          2HG       LYS  52   7.201   2.282   9.063
  400   1HD   LYS  52          1HD       LYS  52   5.835   3.001  11.651
  401   2HD   LYS  52          2HD       LYS  52   6.425   1.396  11.204
  402   1HE   LYS  52          1HE       LYS  52   8.689   2.143  11.252
  403   2HE   LYS  52          2HE       LYS  52   8.200   3.835  11.336
  404   1HZ   LYS  52          1HZ       LYS  52   7.179   3.274  13.542
  405   2HZ   LYS  52          2HZ       LYS  52   8.869   3.219  13.489
  406   3HZ   LYS  52          3HZ       LYS  52   7.976   1.776  13.466
  407    H    VAL  53           H        VAL  53   4.691   5.173   7.860
  408    HA   VAL  53           HA       VAL  53   4.711   6.745   6.097
  409    HB   VAL  53           HB       VAL  53   2.300   6.745   7.884
  410   1HG1  VAL  53          1HG1      VAL  53   2.598   8.058   5.196
  411   2HG1  VAL  53          2HG1      VAL  53   1.878   8.729   6.662
  412   3HG1  VAL  53          3HG1      VAL  53   1.047   7.441   5.771
  413   1HG2  VAL  53          1HG2      VAL  53   2.924   5.418   5.278
  414   2HG2  VAL  53          2HG2      VAL  53   1.426   5.250   6.194
  415   3HG2  VAL  53          3HG2      VAL  53   2.947   4.662   6.870
  416    H    GLY  54           H        GLY  54   6.161   8.258   6.166
  417   1HA   GLY  54          1HA       GLY  54   5.301  10.865   7.172
  418   2HA   GLY  54          2HA       GLY  54   6.821  10.250   7.805
  419    H    GLN  55           H        GLN  55   8.617  10.821   6.721
  420    HA   GLN  55           HA       GLN  55   8.163  12.619   4.495
  421   1HB   GLN  55          1HB       GLN  55  10.631  12.073   6.138
  422   2HB   GLN  55          2HB       GLN  55  10.521  13.286   4.871
  423   1HG   GLN  55          1HG       GLN  55   8.704  14.381   6.139
  424   2HG   GLN  55          2HG       GLN  55   8.948  13.207   7.431
  425   1HE2  GLN  55          1HE2      GLN  55  11.541  14.551   5.524
  426   2HE2  GLN  55          2HE2      GLN  55  12.264  15.478   6.797
  427    H    HIS  56           H        HIS  56   9.825   9.544   5.026
  428    HA   HIS  56           HA       HIS  56  10.817   9.668   2.273
  429   1HB   HIS  56          1HB       HIS  56  12.236   7.894   2.750
  430   2HB   HIS  56          2HB       HIS  56  12.182   8.760   4.272
  431    HD1  HIS  56           HD1      HIS  56  11.405   5.509   2.702
  432    HD2  HIS  56           HD2      HIS  56  10.812   7.404   6.349
  433    HE1  HIS  56           HE1      HIS  56  10.607   3.715   4.273
  434    HE2  HIS  56           HE2      HIS  56  10.515   4.847   6.530
  435    H    LEU  57           H        LEU  57   8.566   7.947   4.216
  436    HA   LEU  57           HA       LEU  57   7.314   6.782   1.828
  437   1HB   LEU  57          1HB       LEU  57   8.139   5.030   3.250
  438   2HB   LEU  57          2HB       LEU  57   7.576   5.791   4.690
  439    HG   LEU  57           HG       LEU  57   6.417   3.655   3.212
  440   1HD1  LEU  57          1HD1      LEU  57   6.493   3.673   5.545
  441   2HD1  LEU  57          2HD1      LEU  57   4.787   3.763   5.108
  442   3HD1  LEU  57          3HD1      LEU  57   5.637   5.206   5.650
  443   1HD2  LEU  57          1HD2      LEU  57   5.170   5.210   1.842
  444   2HD2  LEU  57          2HD2      LEU  57   4.626   6.083   3.271
  445   3HD2  LEU  57          3HD2      LEU  57   4.087   4.426   2.994
  446    H    GLN  58           H        GLN  58   5.873   8.422   1.474
  447    HA   GLN  58           HA       GLN  58   3.993   9.015   3.574
  448   1HB   GLN  58          1HB       GLN  58   3.958   9.908   0.681
  449   2HB   GLN  58          2HB       GLN  58   3.013  10.567   2.003
  450   1HG   GLN  58          1HG       GLN  58   4.610  12.148   1.697
  451   2HG   GLN  58          2HG       GLN  58   5.307  11.215   3.000
  452   1HE2  GLN  58          1HE2      GLN  58   7.163  10.036   2.602
  453   2HE2  GLN  58          2HE2      GLN  58   8.098  10.217   1.154
  454    H    LEU  59           H        LEU  59   2.628   7.475   3.778
  455    HA   LEU  59           HA       LEU  59   1.491   6.114   1.471
  456   1HB   LEU  59          1HB       LEU  59   2.207   4.846   3.612
  457   2HB   LEU  59          2HB       LEU  59   0.896   5.659   4.421
  458    HG   LEU  59           HG       LEU  59   0.781   3.445   2.400
  459   1HD1  LEU  59          1HD1      LEU  59   0.901   2.639   4.532
  460   2HD1  LEU  59          2HD1      LEU  59  -0.852   2.754   4.296
  461   3HD1  LEU  59          3HD1      LEU  59   0.003   4.008   5.215
  462   1HD2  LEU  59          1HD2      LEU  59  -1.645   3.730   2.291
  463   2HD2  LEU  59          2HD2      LEU  59  -0.786   5.092   1.556
  464   3HD2  LEU  59          3HD2      LEU  59  -1.506   5.261   3.163
  465    H    HIS  60           H        HIS  60   0.359   7.725   0.631
  466    HA   HIS  60           HA       HIS  60  -1.298   9.408   2.248
  467   1HB   HIS  60          1HB       HIS  60   0.319  10.520   0.769
  468   2HB   HIS  60          2HB       HIS  60  -0.390   9.714  -0.612
  469    HD1  HIS  60           HD1      HIS  60  -1.668  12.030   2.155
  470    HD2  HIS  60           HD2      HIS  60  -2.040  11.362  -1.939
  471    HE1  HIS  60           HE1      HIS  60  -3.249  13.795   1.315
  472    HE2  HIS  60           HE2      HIS  60  -3.329  13.478  -1.182
  473    H    ASP  61           H        ASP  61  -3.183   9.997   1.251
  474    HA   ASP  61           HA       ASP  61  -4.540   7.898  -0.137
  475   1HB   ASP  61          1HB       ASP  61  -6.522   8.505   1.398
  476   2HB   ASP  61          2HB       ASP  61  -5.339   7.314   1.863
  477    H    SER  62           H        SER  62  -5.408   8.527  -1.636
  478    HA   SER  62           HA       SER  62  -6.438  11.224  -1.985
  479   1HB   SER  62          1HB       SER  62  -6.681   9.066  -4.042
  480   2HB   SER  62          2HB       SER  62  -6.636  10.806  -4.277
  481    HG   SER  62           HG       SER  62  -4.647   9.940  -4.875
  482    H    TYR  63           H        TYR  63  -8.683  11.479  -2.550
  483    HA   TYR  63           HA       TYR  63 -10.310   9.350  -1.500
  484   1HB   TYR  63          1HB       TYR  63  -9.809  10.424   0.471
  485   2HB   TYR  63          2HB       TYR  63  -9.970  12.032  -0.211
  486    HD1  TYR  63           HD1      TYR  63 -11.958  13.207   0.124
  487    HD2  TYR  63           HD2      TYR  63 -11.927   8.984   0.650
  488    HE1  TYR  63           HE1      TYR  63 -14.283  13.290   0.919
  489    HE2  TYR  63           HE2      TYR  63 -14.242   9.058   1.464
  490    HH   TYR  63           HH       TYR  63 -16.231  11.735   1.073
  491    H    ASP  64           H        ASP  64 -11.281   9.070  -3.284
  492    HA   ASP  64           HA       ASP  64 -13.073  11.186  -4.199
  493   1HB   ASP  64          1HB       ASP  64 -12.219   8.655  -5.529
  494   2HB   ASP  64          2HB       ASP  64 -13.280   9.845  -6.193
  495    H    ARG  65           H        ARG  65 -14.744  10.893  -2.890
  496    HA   ARG  65           HA       ARG  65 -15.766   8.316  -2.191
  497   1HB   ARG  65          1HB       ARG  65 -15.992  10.890  -1.148
  498   2HB   ARG  65          2HB       ARG  65 -17.608  10.501  -1.732
  499   1HG   ARG  65          1HG       ARG  65 -15.961   8.796   0.091
  500   2HG   ARG  65          2HG       ARG  65 -17.283   9.850   0.597
  501   1HD   ARG  65          1HD       ARG  65 -17.877   7.957  -1.576
  502   2HD   ARG  65          2HD       ARG  65 -17.589   7.229   0.009
  503    HE   ARG  65           HE       ARG  65 -19.452   8.527   0.865
  504   1HH1  ARG  65          1HH1      ARG  65 -19.144   8.379  -2.620
  505   2HH1  ARG  65          2HH1      ARG  65 -20.809   8.774  -2.916
  506   1HH2  ARG  65          1HH2      ARG  65 -21.649   8.993   0.492
  507   2HH2  ARG  65          2HH2      ARG  65 -22.247   9.078  -1.135
  508    H    ALA  66           H        ALA  66 -16.563  10.875  -4.373
  509    HA   ALA  66           HA       ALA  66 -19.005   9.769  -5.302
  510   1HB   ALA  66          1HB       ALA  66 -18.554  12.161  -5.453
  511   2HB   ALA  66          2HB       ALA  66 -18.898  11.475  -7.041
  512   3HB   ALA  66          3HB       ALA  66 -17.236  11.841  -6.581
  513    H    SER  67           H        SER  67 -15.697   9.303  -6.013
  514    HA   SER  67           HA       SER  67 -16.352   7.698  -8.371
  515   1HB   SER  67          1HB       SER  67 -13.659   8.587  -7.317
  516   2HB   SER  67          2HB       SER  67 -13.935   7.699  -8.816
  517    HG   SER  67           HG       SER  67 -15.482   9.645  -9.158
  518    H    LYS  68           H        LYS  68 -15.789   7.502  -5.080
  519    HA   LYS  68           HA       LYS  68 -15.919   5.742  -3.646
  520   1HB   LYS  68          1HB       LYS  68 -17.608   4.907  -5.260
  521   2HB   LYS  68          2HB       LYS  68 -16.319   4.118  -6.153
  522   1HG   LYS  68          1HG       LYS  68 -15.863   2.674  -4.254
  523   2HG   LYS  68          2HG       LYS  68 -17.121   3.486  -3.327
  524   1HD   LYS  68          1HD       LYS  68 -18.822   2.589  -4.609
  525   2HD   LYS  68          2HD       LYS  68 -17.749   2.238  -5.970
  526   1HE   LYS  68          1HE       LYS  68 -16.688   0.470  -4.709
  527   2HE   LYS  68          2HE       LYS  68 -17.641   0.873  -3.271
  528   1HZ   LYS  68          1HZ       LYS  68 -18.661  -0.205  -5.871
  529   2HZ   LYS  68          2HZ       LYS  68 -19.659   0.345  -4.618
  530   3HZ   LYS  68          3HZ       LYS  68 -18.655  -0.997  -4.372
  531    H    VAL  69           H        VAL  69 -13.397   6.632  -4.843
  532    HA   VAL  69           HA       VAL  69 -11.875   4.176  -4.359
  533    HB   VAL  69           HB       VAL  69 -10.777   6.297  -6.129
  534   1HG1  VAL  69          1HG1      VAL  69  -9.425   4.420  -6.978
  535   2HG1  VAL  69          2HG1      VAL  69 -10.243   3.351  -5.836
  536   3HG1  VAL  69          3HG1      VAL  69  -9.239   4.672  -5.242
  537   1HG2  VAL  69          1HG2      VAL  69 -12.560   4.024  -6.984
  538   2HG2  VAL  69          2HG2      VAL  69 -11.481   4.879  -8.088
  539   3HG2  VAL  69          3HG2      VAL  69 -12.792   5.746  -7.286
  540    H    TYR  70           H        TYR  70 -10.795   4.393  -2.643
  541    HA   TYR  70           HA       TYR  70  -9.551   6.924  -1.938
  542   1HB   TYR  70          1HB       TYR  70  -9.402   4.380  -0.370
  543   2HB   TYR  70          2HB       TYR  70  -9.000   5.986   0.183
  544    HD1  TYR  70           HD1      TYR  70 -10.750   4.268   1.806
  545    HD2  TYR  70           HD2      TYR  70 -11.724   6.915  -1.375
  546    HE1  TYR  70           HE1      TYR  70 -13.006   4.537   2.728
  547    HE2  TYR  70           HE2      TYR  70 -13.985   7.188  -0.457
  548    HH   TYR  70           HH       TYR  70 -14.849   6.266   2.631
  549    H    LEU  71           H        LEU  71  -7.753   7.127  -2.963
  550    HA   LEU  71           HA       LEU  71  -6.234   4.796  -3.772
  551   1HB   LEU  71          1HB       LEU  71  -6.607   6.176  -5.654
  552   2HB   LEU  71          2HB       LEU  71  -6.230   7.637  -4.759
  553    HG   LEU  71           HG       LEU  71  -3.879   7.103  -4.739
  554   1HD1  LEU  71          1HD1      LEU  71  -3.997   4.683  -4.478
  555   2HD1  LEU  71          2HD1      LEU  71  -2.973   5.112  -5.852
  556   3HD1  LEU  71          3HD1      LEU  71  -4.613   4.524  -6.122
  557   1HD2  LEU  71          1HD2      LEU  71  -5.065   6.677  -7.474
  558   2HD2  LEU  71          2HD2      LEU  71  -3.398   7.143  -7.136
  559   3HD2  LEU  71          3HD2      LEU  71  -4.720   8.231  -6.713
  560    H    PHE  72           H        PHE  72  -5.046   4.230  -2.229
  561    HA   PHE  72           HA       PHE  72  -3.519   6.056  -0.636
  562   1HB   PHE  72          1HB       PHE  72  -3.649   3.081  -0.770
  563   2HB   PHE  72          2HB       PHE  72  -2.629   3.937   0.368
  564    HD1  PHE  72           HD1      PHE  72  -6.023   2.922  -0.490
  565    HD2  PHE  72           HD2      PHE  72  -3.633   5.154   2.230
  566    HE1  PHE  72           HE1      PHE  72  -7.917   3.029   1.076
  567    HE2  PHE  72           HE2      PHE  72  -5.520   5.259   3.805
  568    HZ   PHE  72           HZ       PHE  72  -7.664   4.197   3.227
  569    H    GLU  73           H        GLU  73  -1.838   6.818  -1.346
  570    HA   GLU  73           HA       GLU  73  -0.322   5.554  -3.504
  571   1HB   GLU  73          1HB       GLU  73   0.054   8.399  -2.720
  572   2HB   GLU  73          2HB       GLU  73   0.389   7.629  -4.250
  573   1HG   GLU  73          1HG       GLU  73  -2.006   7.513  -4.717
  574   2HG   GLU  73          2HG       GLU  73  -2.335   8.328  -3.186
  575    H    LEU  74           H        LEU  74   1.500   4.778  -2.966
  576    HA   LEU  74           HA       LEU  74   2.846   5.587  -0.533
  577   1HB   LEU  74          1HB       LEU  74   3.587   3.574  -2.630
  578   2HB   LEU  74          2HB       LEU  74   4.538   3.890  -1.201
  579    HG   LEU  74           HG       LEU  74   3.254   1.862  -0.897
  580   1HD1  LEU  74          1HD1      LEU  74   2.136   2.469   1.172
  581   2HD1  LEU  74          2HD1      LEU  74   2.129   4.164   0.677
  582   3HD1  LEU  74          3HD1      LEU  74   3.659   3.348   0.996
  583   1HD2  LEU  74          1HD2      LEU  74   1.433   2.340  -2.459
  584   2HD2  LEU  74          2HD2      LEU  74   0.819   3.576  -1.360
  585   3HD2  LEU  74          3HD2      LEU  74   0.821   1.882  -0.869
  586    H    HIS  75           H        HIS  75   4.071   7.170  -0.642
  587    HA   HIS  75           HA       HIS  75   5.719   7.551  -3.045
  588   1HB   HIS  75          1HB       HIS  75   5.040   9.635  -0.931
  589   2HB   HIS  75          2HB       HIS  75   6.039   9.894  -2.356
  590    HD1  HIS  75           HD1      HIS  75   4.871  10.795  -4.359
  591    HD2  HIS  75           HD2      HIS  75   2.218   9.079  -1.645
  592    HE1  HIS  75           HE1      HIS  75   2.572  11.264  -5.265
  593    HE2  HIS  75           HE2      HIS  75   0.972  10.202  -3.629
  594    H    ILE  76           H        ILE  76   7.206   6.101  -2.441
  595    HA   ILE  76           HA       ILE  76   8.460   6.565   0.168
  596    HB   ILE  76           HB       ILE  76   8.207   3.958  -1.267
  597   1HG1  ILE  76          1HG1      ILE  76   6.732   4.890   1.202
  598   2HG1  ILE  76          2HG1      ILE  76   6.041   4.877  -0.429
  599   1HG2  ILE  76          1HG2      ILE  76   9.201   4.605   1.503
  600   2HG2  ILE  76          2HG2      ILE  76  10.187   4.066   0.145
  601   3HG2  ILE  76          3HG2      ILE  76   8.990   2.981   0.855
  602   1HD1  ILE  76          1HD1      ILE  76   7.012   2.471   1.081
  603   2HD1  ILE  76          2HD1      ILE  76   6.312   2.468  -0.538
  604   3HD1  ILE  76          3HD1      ILE  76   5.332   2.948   0.847
  605    H    THR  77           H        THR  77  10.094   7.606  -0.341
  606    HA   THR  77           HA       THR  77  11.862   6.766  -2.427
  607    HB   THR  77           HB       THR  77  12.854   8.975  -2.299
  608    HG1  THR  77           HG1      THR  77  12.152   9.238   0.017
  609   1HG2  THR  77          1HG2      THR  77   9.866   9.208  -2.501
  610   2HG2  THR  77          2HG2      THR  77  10.891   8.512  -3.757
  611   3HG2  THR  77          3HG2      THR  77  11.071  10.212  -3.310
  612    H    ASP  78           H        ASP  78  13.778   6.470  -1.996
  613    HA   ASP  78           HA       ASP  78  15.709   5.885  -0.963
  614   1HB   ASP  78          1HB       ASP  78  15.550   8.001   0.145
  615   2HB   ASP  78          2HB       ASP  78  14.510   7.303   1.364
  616    H    ALA  79           H        ALA  79  14.785   3.978  -1.299
  617    HA   ALA  79           HA       ALA  79  13.675   2.400   0.827
  618   1HB   ALA  79          1HB       ALA  79  14.770   1.620  -1.877
  619   2HB   ALA  79          2HB       ALA  79  13.074   1.735  -1.400
  620   3HB   ALA  79          3HB       ALA  79  14.103   0.472  -0.715
  621    H    GLN  80           H        GLN  80  14.912   1.970   2.498
  622    HA   GLN  80           HA       GLN  80  17.750   1.943   2.397
  623   1HB   GLN  80          1HB       GLN  80  17.616   1.764   4.674
  624   2HB   GLN  80          2HB       GLN  80  15.965   2.291   4.356
  625   1HG   GLN  80          1HG       GLN  80  15.072   0.272   4.864
  626   2HG   GLN  80          2HG       GLN  80  16.505  -0.618   4.342
  627   1HE2  GLN  80          1HE2      GLN  80  18.298  -0.715   5.692
  628   2HE2  GLN  80          2HE2      GLN  80  18.155  -0.456   7.404
  629    HA   PRO  81           HA       PRO  81  18.341  -2.252   1.189
  630   1HB   PRO  81          1HB       PRO  81  20.313  -2.906   3.240
  631   2HB   PRO  81          2HB       PRO  81  20.563  -2.616   1.517
  632   1HG   PRO  81          1HG       PRO  81  21.426  -0.919   3.475
  633   2HG   PRO  81          2HG       PRO  81  21.030  -0.400   1.828
  634   1HD   PRO  81          1HD       PRO  81  19.418  -0.160   4.335
  635   2HD   PRO  81          2HD       PRO  81  19.580   0.980   2.981
  636    H    ALA  82           H        ALA  82  17.855  -4.406   1.680
  637    HA   ALA  82           HA       ALA  82  16.734  -6.111   2.656
  638   1HB   ALA  82          1HB       ALA  82  17.410  -4.754   5.262
  639   2HB   ALA  82          2HB       ALA  82  18.404  -5.955   4.436
  640   3HB   ALA  82          3HB       ALA  82  16.823  -6.409   5.071
  641    H    PHE  83           H        PHE  83  15.650  -3.137   2.399
  642    HA   PHE  83           HA       PHE  83  13.232  -3.215   4.049
  643   1HB   PHE  83          1HB       PHE  83  14.838  -1.251   2.985
  644   2HB   PHE  83          2HB       PHE  83  13.563  -1.320   1.787
  645    HD1  PHE  83           HD1      PHE  83  13.092  -1.886   5.368
  646    HD2  PHE  83           HD2      PHE  83  12.670   0.834   2.134
  647    HE1  PHE  83           HE1      PHE  83  11.687  -0.453   6.779
  648    HE2  PHE  83           HE2      PHE  83  11.262   2.284   3.531
  649    HZ   PHE  83           HZ       PHE  83  10.879   1.803   5.808
  650    H    THR  84           H        THR  84  14.295  -4.656   1.290
  651    HA   THR  84           HA       THR  84  12.962  -5.074  -0.720
  652    HB   THR  84           HB       THR  84  12.832  -7.177   1.408
  653    HG1  THR  84           HG1      THR  84  14.892  -7.575   0.956
  654   1HG2  THR  84          1HG2      THR  84  12.874  -8.761  -0.503
  655   2HG2  THR  84          2HG2      THR  84  12.742  -7.390  -1.606
  656   3HG2  THR  84          3HG2      THR  84  11.423  -7.757  -0.493
  657    H    GLY  85           H        GLY  85  11.311  -3.838  -0.910
  658   1HA   GLY  85          1HA       GLY  85   9.387  -3.399   1.076
  659   2HA   GLY  85          2HA       GLY  85   9.359  -2.743  -0.530
  660    H    GLY  86           H        GLY  86   8.794  -5.576   1.222
  661   1HA   GLY  86          1HA       GLY  86   6.722  -6.459  -0.582
  662   2HA   GLY  86          2HA       GLY  86   7.223  -7.243   0.899
  663    H    TYR  87           H        TYR  87   5.688  -4.454  -0.358
  664    HA   TYR  87           HA       TYR  87   4.425  -3.788   2.161
  665   1HB   TYR  87          1HB       TYR  87   4.157  -2.632  -0.629
  666   2HB   TYR  87          2HB       TYR  87   3.283  -2.025   0.773
  667    HD1  TYR  87           HD1      TYR  87   6.743  -2.627  -0.497
  668    HD2  TYR  87           HD2      TYR  87   4.245  -0.426   2.145
  669    HE1  TYR  87           HE1      TYR  87   8.635  -1.143   0.036
  670    HE2  TYR  87           HE2      TYR  87   6.129   1.039   2.710
  671    HH   TYR  87           HH       TYR  87   9.044   1.074   0.935
  672    H    ARG  88           H        ARG  88   2.518  -4.671   2.772
  673    HA   ARG  88           HA       ARG  88   1.029  -6.167   0.726
  674   1HB   ARG  88          1HB       ARG  88   1.196  -6.720   3.700
  675   2HB   ARG  88          2HB       ARG  88   0.299  -7.671   2.524
  676   1HG   ARG  88          1HG       ARG  88   2.362  -8.291   1.415
  677   2HG   ARG  88          2HG       ARG  88   3.281  -7.287   2.536
  678   1HD   ARG  88          1HD       ARG  88   2.456  -8.679   4.400
  679   2HD   ARG  88          2HD       ARG  88   1.647  -9.720   3.230
  680    HE   ARG  88           HE       ARG  88   4.263  -9.621   2.413
  681   1HH1  ARG  88          1HH1      ARG  88   2.563 -10.595   5.321
  682   2HH1  ARG  88          2HH1      ARG  88   3.775 -11.748   5.787
  683   1HH2  ARG  88          1HH2      ARG  88   5.851 -11.148   3.030
  684   2HH2  ARG  88          2HH2      ARG  88   5.635 -12.056   4.500
  685    H    CYS  89           H        CYS  89  -0.714  -5.066   0.186
  686    HA   CYS  89           HA       CYS  89  -2.005  -3.308   2.125
  687   1HB   CYS  89          1HB       CYS  89  -3.360  -3.427  -0.397
  688   2HB   CYS  89          2HB       CYS  89  -2.536  -2.062   0.351
  689    HG   CYS  89           HG       CYS  89  -0.048  -2.632  -0.699
  690    H    GLU  90           H        GLU  90  -3.386  -4.256   3.419
  691    HA   GLU  90           HA       GLU  90  -5.108  -6.365   2.307
  692   1HB   GLU  90          1HB       GLU  90  -4.150  -6.095   5.165
  693   2HB   GLU  90          2HB       GLU  90  -5.056  -7.441   4.482
  694   1HG   GLU  90          1HG       GLU  90  -3.178  -8.018   3.054
  695   2HG   GLU  90          2HG       GLU  90  -2.279  -6.627   3.644
  696    H    VAL  91           H        VAL  91  -7.012  -5.383   1.944
  697    HA   VAL  91           HA       VAL  91  -7.955  -3.397   3.876
  698    HB   VAL  91           HB       VAL  91  -7.998  -2.487   1.700
  699   1HG1  VAL  91          1HG1      VAL  91  -7.849  -4.532   0.402
  700   2HG1  VAL  91          2HG1      VAL  91  -9.155  -3.507  -0.195
  701   3HG1  VAL  91          3HG1      VAL  91  -9.523  -4.918   0.797
  702   1HG2  VAL  91          1HG2      VAL  91 -10.780  -3.326   2.471
  703   2HG2  VAL  91          2HG2      VAL  91 -10.402  -2.075   1.286
  704   3HG2  VAL  91          3HG2      VAL  91  -9.926  -1.867   2.972
  705    H    SER  92           H        SER  92  -9.934  -3.491   4.806
  706    HA   SER  92           HA       SER  92 -11.348  -6.059   4.672
  707   1HB   SER  92          1HB       SER  92  -9.775  -6.171   6.580
  708   2HB   SER  92          2HB       SER  92 -10.444  -4.672   7.219
  709    HG   SER  92           HG       SER  92 -11.667  -6.041   8.267
  710    H    THR  93           H        THR  93 -13.283  -5.475   3.991
  711    HA   THR  93           HA       THR  93 -14.529  -3.108   5.203
  712    HB   THR  93           HB       THR  93 -15.047  -3.872   2.377
  713    HG1  THR  93           HG1      THR  93 -12.670  -3.478   3.116
  714   1HG2  THR  93          1HG2      THR  93 -15.545  -1.539   2.082
  715   2HG2  THR  93          2HG2      THR  93 -14.919  -1.147   3.697
  716   3HG2  THR  93          3HG2      THR  93 -16.396  -2.101   3.516
  717    H    LYS  94           H        LYS  94 -16.879  -3.182   5.063
  718    HA   LYS  94           HA       LYS  94 -18.683  -4.513   5.949
  719   1HB   LYS  94          1HB       LYS  94 -19.808  -5.115   3.590
  720   2HB   LYS  94          2HB       LYS  94 -19.701  -3.475   4.219
  721   1HG   LYS  94          1HG       LYS  94 -18.277  -2.822   2.634
  722   2HG   LYS  94          2HG       LYS  94 -17.354  -4.314   2.691
  723   1HD   LYS  94          1HD       LYS  94 -19.938  -3.818   1.219
  724   2HD   LYS  94          2HD       LYS  94 -18.334  -4.071   0.521
  725   1HE   LYS  94          1HE       LYS  94 -19.234  -6.145   0.232
  726   2HE   LYS  94          2HE       LYS  94 -18.467  -6.345   1.800
  727   1HZ   LYS  94          1HZ       LYS  94 -20.502  -6.303   2.888
  728   2HZ   LYS  94          2HZ       LYS  94 -20.844  -7.182   1.471
  729   3HZ   LYS  94          3HZ       LYS  94 -21.304  -5.549   1.596
  730    H    ASP  95           H        ASP  95 -17.692  -6.237   3.036
  731    HA   ASP  95           HA       ASP  95 -17.330  -8.721   4.400
  732   1HB   ASP  95          1HB       ASP  95 -19.720  -8.542   3.714
  733   2HB   ASP  95          2HB       ASP  95 -19.189  -8.482   2.052
  734    H    LYS  96           H        LYS  96 -16.242  -6.514   2.305
  735    HA   LYS  96           HA       LYS  96 -15.261  -8.385   0.323
  736   1HB   LYS  96          1HB       LYS  96 -15.968  -5.593   0.051
  737   2HB   LYS  96          2HB       LYS  96 -14.257  -5.777  -0.234
  738   1HG   LYS  96          1HG       LYS  96 -16.259  -7.532  -1.573
  739   2HG   LYS  96          2HG       LYS  96 -15.839  -5.942  -2.210
  740   1HD   LYS  96          1HD       LYS  96 -13.432  -6.682  -2.150
  741   2HD   LYS  96          2HD       LYS  96 -14.017  -8.311  -1.804
  742   1HE   LYS  96          1HE       LYS  96 -14.686  -6.657  -4.239
  743   2HE   LYS  96          2HE       LYS  96 -13.521  -7.977  -4.185
  744   1HZ   LYS  96          1HZ       LYS  96 -16.427  -8.255  -3.634
  745   2HZ   LYS  96          2HZ       LYS  96 -15.290  -9.518  -3.704
  746   3HZ   LYS  96          3HZ       LYS  96 -15.673  -8.636  -5.104
  747    H    PHE  97           H        PHE  97 -13.320  -9.073   0.445
  748    HA   PHE  97           HA       PHE  97 -11.331  -7.526   1.917
  749   1HB   PHE  97          1HB       PHE  97 -12.110  -9.380   3.321
  750   2HB   PHE  97          2HB       PHE  97 -11.627 -10.520   2.074
  751    HD1  PHE  97           HD1      PHE  97 -10.515  -8.430   4.822
  752    HD2  PHE  97           HD2      PHE  97  -9.241 -10.843   1.555
  753    HE1  PHE  97           HE1      PHE  97  -8.255  -8.536   5.784
  754    HE2  PHE  97           HE2      PHE  97  -6.979 -10.955   2.515
  755    HZ   PHE  97           HZ       PHE  97  -6.499  -9.790   4.668
  756    H    ASP  98           H        ASP  98  -9.559  -7.237   0.910
  757    HA   ASP  98           HA       ASP  98  -8.667  -9.027  -1.214
  758   1HB   ASP  98          1HB       ASP  98  -9.242  -6.092  -1.566
  759   2HB   ASP  98          2HB       ASP  98  -8.038  -6.901  -2.554
  760    H    CYS  99           H        CYS  99  -6.441  -8.982  -1.519
  761    HA   CYS  99           HA       CYS  99  -4.907  -7.105   0.089
  762   1HB   CYS  99          1HB       CYS  99  -3.481  -9.008   0.953
  763   2HB   CYS  99          2HB       CYS  99  -5.071  -8.839   1.674
  764    HG   CYS  99           HG       CYS  99  -5.451 -10.861  -0.821
  765    H    SER 100           H        SER 100  -2.946  -6.656  -0.665
  766    HA   SER 100           HA       SER 100  -2.143  -8.046  -3.133
  767   1HB   SER 100          1HB       SER 100  -2.760  -5.889  -3.826
  768   2HB   SER 100          2HB       SER 100  -1.918  -5.106  -2.495
  769    HG   SER 100           HG       SER 100  -0.152  -5.158  -3.645
  770    H    ASN 101           H        ASN 101  -0.048  -8.298  -3.553
  771    HA   ASN 101           HA       ASN 101   1.821  -7.896  -1.348
  772   1HB   ASN 101          1HB       ASN 101   2.738 -10.257  -1.934
  773   2HB   ASN 101          2HB       ASN 101   1.317 -10.129  -0.911
  774   1HD2  ASN 101          1HD2      ASN 101   1.337  -9.725  -4.448
  775   2HD2  ASN 101          2HD2      ASN 101   0.387 -11.146  -4.760
  776    H    PHE 102           H        PHE 102   3.396  -6.696  -2.143
  777    HA   PHE 102           HA       PHE 102   4.583  -7.462  -4.697
  778   1HB   PHE 102          1HB       PHE 102   4.646  -5.076  -5.400
  779   2HB   PHE 102          2HB       PHE 102   3.038  -5.780  -5.383
  780    HD1  PHE 102           HD1      PHE 102   5.290  -3.402  -3.746
  781    HD2  PHE 102           HD2      PHE 102   1.360  -5.015  -3.886
  782    HE1  PHE 102           HE1      PHE 102   4.479  -1.545  -2.361
  783    HE2  PHE 102           HE2      PHE 102   0.546  -3.168  -2.510
  784    HZ   PHE 102           HZ       PHE 102   2.103  -1.422  -1.740
  785    H    ASN 103           H        ASN 103   6.761  -7.050  -4.769
  786    HA   ASN 103           HA       ASN 103   7.880  -6.147  -2.240
  787   1HB   ASN 103          1HB       ASN 103   9.799  -7.721  -2.952
  788   2HB   ASN 103          2HB       ASN 103   8.387  -8.358  -2.183
  789   1HD2  ASN 103          1HD2      ASN 103   8.874  -7.371  -5.478
  790   2HD2  ASN 103          2HD2      ASN 103   8.560  -8.917  -6.147
  791    H    LEU 104           H        LEU 104   9.383  -4.819  -2.152
  792    HA   LEU 104           HA       LEU 104  10.411  -3.566  -4.601
  793   1HB   LEU 104          1HB       LEU 104   9.849  -1.754  -3.382
  794   2HB   LEU 104          2HB       LEU 104   9.910  -2.603  -1.850
  795    HG   LEU 104           HG       LEU 104  12.525  -2.283  -2.827
  796   1HD1  LEU 104          1HD1      LEU 104  11.690  -0.579  -4.295
  797   2HD1  LEU 104          2HD1      LEU 104  12.634   0.166  -2.999
  798   3HD1  LEU 104          3HD1      LEU 104  10.870   0.210  -2.939
  799   1HD2  LEU 104          1HD2      LEU 104  10.977  -1.464  -0.465
  800   2HD2  LEU 104          2HD2      LEU 104  12.381  -0.468  -0.833
  801   3HD2  LEU 104          3HD2      LEU 104  12.586  -2.198  -0.563
  802    H    THR 105           H        THR 105  12.229  -4.400  -5.328
  803    HA   THR 105           HA       THR 105  14.013  -5.774  -3.494
  804    HB   THR 105           HB       THR 105  14.478  -5.446  -6.449
  805    HG1  THR 105           HG1      THR 105  12.334  -6.527  -5.438
  806   1HG2  THR 105          1HG2      THR 105  15.205  -7.648  -4.510
  807   2HG2  THR 105          2HG2      THR 105  16.294  -6.372  -5.051
  808   3HG2  THR 105          3HG2      THR 105  15.677  -7.552  -6.209
  809    H    VAL 106           H        VAL 106  15.047  -4.244  -2.355
  810    HA   VAL 106           HA       VAL 106  16.163  -1.939  -3.600
  811    HB   VAL 106           HB       VAL 106  15.224  -1.637  -1.399
  812   1HG1  VAL 106          1HG1      VAL 106  17.151  -3.708  -0.498
  813   2HG1  VAL 106          2HG1      VAL 106  15.386  -3.712  -0.381
  814   3HG1  VAL 106          3HG1      VAL 106  16.334  -2.585   0.591
  815   1HG2  VAL 106          1HG2      VAL 106  16.975  -0.146  -1.976
  816   2HG2  VAL 106          2HG2      VAL 106  18.191  -1.324  -1.471
  817   3HG2  VAL 106          3HG2      VAL 106  17.137  -0.574  -0.271
  818    H    HIS 107           H        HIS 107  17.875  -1.995  -4.528
  819    HA   HIS 107           HA       HIS 107  19.791  -4.152  -4.259
  820   1HB   HIS 107          1HB       HIS 107  19.550  -1.948  -6.322
  821   2HB   HIS 107          2HB       HIS 107  20.815  -3.166  -6.327
  822    HD1  HIS 107           HD1      HIS 107  19.352  -3.185  -8.817
  823    HD2  HIS 107           HD2      HIS 107  17.862  -5.199  -5.493
  824    HE1  HIS 107           HE1      HIS 107  17.706  -4.852  -9.716
  825    HE2  HIS 107           HE2      HIS 107  16.778  -6.033  -7.702
  826    H    GLU 108           H        GLU 108  20.918  -3.686  -2.497
  827    HA   GLU 108           HA       GLU 108  22.272  -1.177  -2.139
  828   1HB   GLU 108          1HB       GLU 108  21.694  -2.529  -0.190
  829   2HB   GLU 108          2HB       GLU 108  22.728  -3.832  -0.771
  830   1HG   GLU 108          1HG       GLU 108  24.679  -2.435  -0.539
  831   2HG   GLU 108          2HG       GLU 108  23.676  -1.072  -0.047
  832    H    ALA 109           H        ALA 109  23.865  -4.326  -2.167
  833    HA   ALA 109           HA       ALA 109  26.071  -3.203  -3.675
  834   1HB   ALA 109          1HB       ALA 109  25.703  -5.986  -2.570
  835   2HB   ALA 109          2HB       ALA 109  26.505  -4.651  -1.741
  836   3HB   ALA 109          3HB       ALA 109  27.195  -5.311  -3.225
  837    H    MET 110           H        MET 110  23.758  -5.868  -3.996
  838    HA   MET 110           HA       MET 110  23.743  -5.512  -6.868
  839   1HB   MET 110          1HB       MET 110  25.579  -7.105  -6.532
  840   2HB   MET 110          2HB       MET 110  24.522  -8.149  -5.591
  841   1HG   MET 110          1HG       MET 110  23.156  -8.566  -7.545
  842   2HG   MET 110          2HG       MET 110  24.136  -7.447  -8.491
  843   1HE   MET 110          1HE       MET 110  23.462 -10.503  -9.284
  844   2HE   MET 110          2HE       MET 110  25.022 -11.027  -9.918
  845   3HE   MET 110          3HE       MET 110  24.399  -9.428 -10.321
  Start of MODEL   24
    1    H    ASP   1           H        ASP   1 -19.575 -11.687   1.333
    2    HA   ASP   1           HA       ASP   1 -18.505  -9.671   0.767
    3   1HB   ASP   1          1HB       ASP   1 -17.726 -10.868  -1.909
    4   2HB   ASP   1          2HB       ASP   1 -17.142  -9.389  -1.168
    5    H    ASP   2           H        ASP   2 -19.183  -8.135  -0.976
    6    HA   ASP   2           HA       ASP   2 -21.575  -9.034  -2.410
    7   1HB   ASP   2          1HB       ASP   2 -20.912  -6.697  -0.736
    8   2HB   ASP   2          2HB       ASP   2 -21.851  -6.373  -2.178
    9    HA   PRO   3           HA       PRO   3 -19.740  -7.208  -6.104
   10   1HB   PRO   3          1HB       PRO   3 -22.113  -5.540  -6.589
   11   2HB   PRO   3          2HB       PRO   3 -21.447  -6.849  -7.567
   12   1HG   PRO   3          1HG       PRO   3 -23.746  -7.120  -6.184
   13   2HG   PRO   3          2HG       PRO   3 -22.629  -8.475  -6.434
   14   1HD   PRO   3          1HD       PRO   3 -23.027  -6.755  -4.019
   15   2HD   PRO   3          2HD       PRO   3 -22.747  -8.506  -4.118
   16    H    ILE   4           H        ILE   4 -18.306  -6.045  -4.653
   17    HA   ILE   4           HA       ILE   4 -18.759  -3.137  -4.704
   18    HB   ILE   4           HB       ILE   4 -17.068  -4.917  -2.983
   19   1HG1  ILE   4          1HG1      ILE   4 -17.952  -3.255  -1.238
   20   2HG1  ILE   4          2HG1      ILE   4 -19.018  -2.674  -2.511
   21   1HG2  ILE   4          1HG2      ILE   4 -15.830  -2.968  -2.102
   22   2HG2  ILE   4          2HG2      ILE   4 -16.539  -1.957  -3.364
   23   3HG2  ILE   4          3HG2      ILE   4 -15.453  -3.279  -3.797
   24   1HD1  ILE   4          1HD1      ILE   4 -19.935  -4.932  -2.737
   25   2HD1  ILE   4          2HD1      ILE   4 -20.162  -4.257  -1.122
   26   3HD1  ILE   4          3HD1      ILE   4 -18.895  -5.458  -1.408
   27    H    GLY   5           H        GLY   5 -15.955  -5.288  -4.846
   28   1HA   GLY   5          1HA       GLY   5 -14.424  -5.483  -6.678
   29   2HA   GLY   5          2HA       GLY   5 -15.119  -4.010  -7.349
   30    H    LEU   6           H        LEU   6 -14.018  -4.900  -4.225
   31    HA   LEU   6           HA       LEU   6 -13.329  -2.418  -3.317
   32   1HB   LEU   6          1HB       LEU   6 -13.701  -4.716  -2.205
   33   2HB   LEU   6          2HB       LEU   6 -11.985  -4.944  -2.454
   34    HG   LEU   6           HG       LEU   6 -11.536  -2.972  -1.082
   35   1HD1  LEU   6          1HD1      LEU   6 -14.513  -2.958  -0.645
   36   2HD1  LEU   6          2HD1      LEU   6 -13.590  -1.733  -1.512
   37   3HD1  LEU   6          3HD1      LEU   6 -13.341  -1.961   0.219
   38   1HD2  LEU   6          1HD2      LEU   6 -11.590  -5.224  -0.155
   39   2HD2  LEU   6          2HD2      LEU   6 -13.311  -5.020   0.208
   40   3HD2  LEU   6          3HD2      LEU   6 -12.100  -4.013   1.024
   41    H    PHE   7           H        PHE   7 -11.298  -4.902  -4.750
   42    HA   PHE   7           HA       PHE   7  -8.972  -3.237  -4.462
   43   1HB   PHE   7          1HB       PHE   7  -9.434  -5.994  -4.435
   44   2HB   PHE   7          2HB       PHE   7  -8.490  -5.682  -5.895
   45    HD1  PHE   7           HD1      PHE   7  -8.543  -5.461  -2.238
   46    HD2  PHE   7           HD2      PHE   7  -6.234  -4.930  -5.758
   47    HE1  PHE   7           HE1      PHE   7  -6.493  -5.347  -0.871
   48    HE2  PHE   7           HE2      PHE   7  -4.187  -4.806  -4.414
   49    HZ   PHE   7           HZ       PHE   7  -4.299  -5.027  -1.975
   50    H    VAL   8           H        VAL   8  -9.573  -1.623  -5.863
   51    HA   VAL   8           HA       VAL   8 -10.240  -2.063  -8.601
   52    HB   VAL   8           HB       VAL   8  -9.186   0.477  -7.344
   53   1HG1  VAL   8          1HG1      VAL   8 -10.382   1.605  -9.151
   54   2HG1  VAL   8          2HG1      VAL   8 -10.872   0.044  -9.810
   55   3HG1  VAL   8          3HG1      VAL   8  -9.167   0.495  -9.786
   56   1HG2  VAL   8          1HG2      VAL   8 -11.523   1.101  -6.999
   57   2HG2  VAL   8          2HG2      VAL   8 -11.099  -0.349  -6.089
   58   3HG2  VAL   8          3HG2      VAL   8 -12.034  -0.484  -7.579
   59    H    MET   9           H        MET   9  -7.344  -0.944  -6.918
   60    HA   MET   9           HA       MET   9  -5.732  -1.935  -9.151
   61   1HB   MET   9          1HB       MET   9  -5.401   0.699  -7.758
   62   2HB   MET   9          2HB       MET   9  -4.104  -0.066  -8.655
   63   1HG   MET   9          1HG       MET   9  -6.771   0.694  -9.758
   64   2HG   MET   9          2HG       MET   9  -5.279   1.604  -9.978
   65   1HE   MET   9          1HE       MET   9  -3.181  -0.763 -10.254
   66   2HE   MET   9          2HE       MET   9  -3.158   0.666 -11.287
   67   3HE   MET   9          3HE       MET   9  -3.093  -0.944 -12.007
   68    H    ARG  10           H        ARG  10  -4.079  -3.189  -8.512
   69    HA   ARG  10           HA       ARG  10  -3.549  -3.295  -5.650
   70   1HB   ARG  10          1HB       ARG  10  -2.353  -5.172  -7.654
   71   2HB   ARG  10          2HB       ARG  10  -2.632  -5.395  -5.932
   72   1HG   ARG  10          1HG       ARG  10  -5.108  -5.349  -6.472
   73   2HG   ARG  10          2HG       ARG  10  -4.635  -5.489  -8.164
   74   1HD   ARG  10          1HD       ARG  10  -3.590  -7.601  -7.779
   75   2HD   ARG  10          2HD       ARG  10  -3.757  -7.430  -6.032
   76    HE   ARG  10           HE       ARG  10  -5.987  -7.872  -7.916
   77   1HH1  ARG  10          1HH1      ARG  10  -4.554  -8.148  -4.724
   78   2HH1  ARG  10          2HH1      ARG  10  -5.939  -8.932  -4.018
   79   1HH2  ARG  10          1HH2      ARG  10  -7.790  -8.949  -6.998
   80   2HH2  ARG  10          2HH2      ARG  10  -7.785  -9.376  -5.311
   81    HA   PRO  11           HA       PRO  11   0.148  -0.911  -6.373
   82   1HB   PRO  11          1HB       PRO  11   1.191  -1.484  -3.875
   83   2HB   PRO  11          2HB       PRO  11   0.092  -0.159  -4.218
   84   1HG   PRO  11          1HG       PRO  11  -0.468  -2.789  -3.032
   85   2HG   PRO  11          2HG       PRO  11  -1.199  -1.228  -2.672
   86   1HD   PRO  11          1HD       PRO  11  -2.442  -3.135  -4.145
   87   2HD   PRO  11          2HD       PRO  11  -2.698  -1.392  -4.402
   88    H    GLN  12           H        GLN  12   2.313  -1.496  -6.805
   89    HA   GLN  12           HA       GLN  12   2.635  -4.397  -6.983
   90   1HB   GLN  12          1HB       GLN  12   3.058  -2.256  -9.032
   91   2HB   GLN  12          2HB       GLN  12   3.739  -3.873  -9.199
   92   1HG   GLN  12          1HG       GLN  12   0.833  -3.347  -8.710
   93   2HG   GLN  12          2HG       GLN  12   1.528  -3.505 -10.324
   94   1HE2  GLN  12          1HE2      GLN  12   0.953  -5.226  -7.261
   95   2HE2  GLN  12          2HE2      GLN  12   1.066  -6.812  -7.944
   96    H    ASP  13           H        ASP  13   4.938  -4.957  -7.695
   97    HA   ASP  13           HA       ASP  13   6.515  -4.343  -5.527
   98   1HB   ASP  13          1HB       ASP  13   7.343  -5.711  -8.082
   99   2HB   ASP  13          2HB       ASP  13   7.863  -6.041  -6.446
  100    H    GLY  14           H        GLY  14   8.875  -4.579  -7.213
  101   1HA   GLY  14          1HA       GLY  14   9.593  -2.707  -8.906
  102   2HA   GLY  14          2HA       GLY  14   9.339  -1.730  -7.468
  103    H    GLU  15           H        GLU  15  11.634  -2.581  -9.112
  104    HA   GLU  15           HA       GLU  15  13.384  -3.394  -6.902
  105   1HB   GLU  15          1HB       GLU  15  13.730  -3.886  -9.868
  106   2HB   GLU  15          2HB       GLU  15  14.969  -4.202  -8.664
  107   1HG   GLU  15          1HG       GLU  15  13.259  -5.728  -7.552
  108   2HG   GLU  15          2HG       GLU  15  12.348  -5.595  -9.055
  109    H    VAL  16           H        VAL  16  14.428  -1.647  -6.172
  110    HA   VAL  16           HA       VAL  16  15.251   0.379  -8.040
  111    HB   VAL  16           HB       VAL  16  14.538   2.068  -6.638
  112   1HG1  VAL  16          1HG1      VAL  16  12.188   1.738  -6.170
  113   2HG1  VAL  16          2HG1      VAL  16  12.408  -0.005  -6.312
  114   3HG1  VAL  16          3HG1      VAL  16  12.640   1.031  -7.720
  115   1HG2  VAL  16          1HG2      VAL  16  14.140   0.092  -4.409
  116   2HG2  VAL  16          2HG2      VAL  16  13.845   1.829  -4.305
  117   3HG2  VAL  16          3HG2      VAL  16  15.485   1.225  -4.553
  118    H    THR  17           H        THR  17  16.959   1.589  -7.054
  119    HA   THR  17           HA       THR  17  18.861  -0.174  -5.748
  120    HB   THR  17           HB       THR  17  19.801   2.473  -6.517
  121    HG1  THR  17           HG1      THR  17  19.077   0.797  -8.692
  122   1HG2  THR  17          1HG2      THR  17  20.617  -0.313  -7.366
  123   2HG2  THR  17          2HG2      THR  17  21.297   0.601  -6.018
  124   3HG2  THR  17          3HG2      THR  17  21.530   1.167  -7.670
  125    H    VAL  18           H        VAL  18  20.042   0.548  -3.865
  126    HA   VAL  18           HA       VAL  18  18.694   2.140  -2.008
  127    HB   VAL  18           HB       VAL  18  21.642   1.769  -1.990
  128   1HG1  VAL  18          1HG1      VAL  18  19.659   2.115   0.234
  129   2HG1  VAL  18          2HG1      VAL  18  20.740   3.359  -0.397
  130   3HG1  VAL  18          3HG1      VAL  18  21.405   1.947   0.425
  131   1HG2  VAL  18          1HG2      VAL  18  21.357  -0.274  -0.699
  132   2HG2  VAL  18          2HG2      VAL  18  20.621  -0.434  -2.297
  133   3HG2  VAL  18          3HG2      VAL  18  19.608  -0.140  -0.879
  134    H    GLY  19           H        GLY  19  18.277   3.946  -2.470
  135   1HA   GLY  19          1HA       GLY  19  19.314   6.232  -2.002
  136   2HA   GLY  19          2HA       GLY  19  20.264   5.879  -3.439
  137    H    GLY  20           H        GLY  20  17.522   4.494  -4.317
  138   1HA   GLY  20          1HA       GLY  20  16.453   7.013  -5.372
  139   2HA   GLY  20          2HA       GLY  20  16.321   5.460  -6.164
  140    H    SER  21           H        SER  21  14.134   5.893  -6.279
  141    HA   SER  21           HA       SER  21  12.704   5.691  -3.792
  142   1HB   SER  21          1HB       SER  21  10.990   7.079  -5.180
  143   2HB   SER  21          2HB       SER  21  12.352   7.881  -4.409
  144    HG   SER  21           HG       SER  21  11.884   8.336  -6.740
  145    H    ILE  22           H        ILE  22  10.525   5.141  -4.164
  146    HA   ILE  22           HA       ILE  22   9.826   3.492  -6.377
  147    HB   ILE  22           HB       ILE  22  10.796   1.984  -4.707
  148   1HG1  ILE  22          1HG1      ILE  22   8.920   0.400  -4.652
  149   2HG1  ILE  22          2HG1      ILE  22   7.837   1.694  -5.145
  150   1HG2  ILE  22          1HG2      ILE  22   8.536   2.902  -2.964
  151   2HG2  ILE  22          2HG2      ILE  22  10.256   3.156  -2.669
  152   3HG2  ILE  22          3HG2      ILE  22   9.582   1.525  -2.622
  153   1HD1  ILE  22          1HD1      ILE  22   9.023   1.901  -7.251
  154   2HD1  ILE  22          2HD1      ILE  22   8.453   0.247  -7.014
  155   3HD1  ILE  22          3HD1      ILE  22  10.154   0.641  -6.753
  156    H    THR  23           H        THR  23   7.670   3.167  -6.365
  157    HA   THR  23           HA       THR  23   6.050   4.997  -4.819
  158    HB   THR  23           HB       THR  23   5.947   5.150  -7.817
  159    HG1  THR  23           HG1      THR  23   7.669   6.297  -6.077
  160   1HG2  THR  23          1HG2      THR  23   4.592   7.165  -7.366
  161   2HG2  THR  23          2HG2      THR  23   4.695   6.825  -5.635
  162   3HG2  THR  23          3HG2      THR  23   3.847   5.706  -6.708
  163    H    PHE  24           H        PHE  24   4.261   4.204  -4.329
  164    HA   PHE  24           HA       PHE  24   3.138   1.932  -5.822
  165   1HB   PHE  24          1HB       PHE  24   3.098   2.409  -2.832
  166   2HB   PHE  24          2HB       PHE  24   2.386   1.053  -3.678
  167    HD1  PHE  24           HD1      PHE  24   4.367   0.116  -5.478
  168    HD2  PHE  24           HD2      PHE  24   4.884   1.700  -1.571
  169    HE1  PHE  24           HE1      PHE  24   6.481  -1.120  -5.258
  170    HE2  PHE  24           HE2      PHE  24   7.002   0.474  -1.348
  171    HZ   PHE  24           HZ       PHE  24   7.780  -0.969  -3.132
  172    H    SER  25           H        SER  25   1.018   2.031  -6.153
  173    HA   SER  25           HA       SER  25  -0.601   3.976  -4.765
  174   1HB   SER  25          1HB       SER  25  -1.790   3.939  -7.212
  175   2HB   SER  25          2HB       SER  25  -0.675   5.168  -6.637
  176    HG   SER  25           HG       SER  25   0.708   4.547  -8.090
  177    H    ALA  26           H        ALA  26  -2.153   3.086  -3.844
  178    HA   ALA  26           HA       ALA  26  -3.245   0.531  -4.834
  179   1HB   ALA  26          1HB       ALA  26  -3.617  -0.163  -2.554
  180   2HB   ALA  26          2HB       ALA  26  -3.140   1.427  -1.949
  181   3HB   ALA  26          3HB       ALA  26  -1.945   0.390  -2.676
  182    H    ARG  27           H        ARG  27  -5.263   0.799  -5.643
  183    HA   ARG  27           HA       ARG  27  -6.854   3.053  -4.614
  184   1HB   ARG  27          1HB       ARG  27  -7.102   1.560  -7.230
  185   2HB   ARG  27          2HB       ARG  27  -8.056   2.953  -6.747
  186   1HG   ARG  27          1HG       ARG  27  -6.142   4.374  -6.805
  187   2HG   ARG  27          2HG       ARG  27  -5.069   2.997  -7.071
  188   1HD   ARG  27          1HD       ARG  27  -6.271   2.539  -9.192
  189   2HD   ARG  27          2HD       ARG  27  -7.196   4.024  -8.939
  190    HE   ARG  27           HE       ARG  27  -4.337   4.407  -8.897
  191   1HH1  ARG  27          1HH1      ARG  27  -7.223   4.339 -10.864
  192   2HH1  ARG  27          2HH1      ARG  27  -6.491   5.168 -12.206
  193   1HH2  ARG  27          1HH2      ARG  27  -3.366   5.540 -10.639
  194   2HH2  ARG  27          2HH2      ARG  27  -4.300   5.877 -12.074
  195    H    VAL  28           H        VAL  28  -8.572   2.571  -3.385
  196    HA   VAL  28           HA       VAL  28  -9.745  -0.088  -3.641
  197    HB   VAL  28           HB       VAL  28  -9.771   1.530  -1.112
  198   1HG1  VAL  28          1HG1      VAL  28 -10.219  -1.418  -1.555
  199   2HG1  VAL  28          2HG1      VAL  28 -11.519  -0.229  -1.509
  200   3HG1  VAL  28          3HG1      VAL  28 -10.514  -0.499  -0.078
  201   1HG2  VAL  28          1HG2      VAL  28  -7.958   0.118  -0.298
  202   2HG2  VAL  28          2HG2      VAL  28  -7.456   1.028  -1.725
  203   3HG2  VAL  28          3HG2      VAL  28  -7.867  -0.680  -1.866
  204    H    ALA  29           H        ALA  29 -11.643  -0.089  -4.221
  205    HA   ALA  29           HA       ALA  29 -13.308   2.035  -4.807
  206   1HB   ALA  29          1HB       ALA  29 -15.079   0.350  -5.052
  207   2HB   ALA  29          2HB       ALA  29 -14.042  -0.839  -4.254
  208   3HB   ALA  29          3HB       ALA  29 -13.574  -0.165  -5.817
  209    H    GLY  30           H        GLY  30 -13.860   3.431  -3.333
  210   1HA   GLY  30          1HA       GLY  30 -14.513   3.109  -0.666
  211   2HA   GLY  30          2HA       GLY  30 -15.222   4.339  -1.720
  212    H    ALA  31           H        ALA  31 -16.580   2.807  -3.493
  213    HA   ALA  31           HA       ALA  31 -18.598   1.853  -3.886
  214   1HB   ALA  31          1HB       ALA  31 -17.903   0.088  -1.567
  215   2HB   ALA  31          2HB       ALA  31 -17.181  -0.067  -3.167
  216   3HB   ALA  31          3HB       ALA  31 -18.916  -0.306  -2.958
  217    H    SER  32           H        SER  32 -20.498   0.645  -2.335
  218    HA   SER  32           HA       SER  32 -21.655   2.821  -0.857
  219   1HB   SER  32          1HB       SER  32 -23.527   1.183  -0.489
  220   2HB   SER  32          2HB       SER  32 -23.117   1.410  -2.188
  221    HG   SER  32           HG       SER  32 -22.632  -0.624  -2.304
  222    H    LEU  33           H        LEU  33 -21.358  -0.570   0.144
  223    HA   LEU  33           HA       LEU  33 -20.291  -1.604   1.833
  224   1HB   LEU  33          1HB       LEU  33 -18.160  -0.892   1.666
  225   2HB   LEU  33          2HB       LEU  33 -18.668   0.742   1.260
  226    HG   LEU  33           HG       LEU  33 -17.167   0.740   3.118
  227   1HD1  LEU  33          1HD1      LEU  33 -18.408   1.905   4.788
  228   2HD1  LEU  33          2HD1      LEU  33 -19.918   1.292   4.117
  229   3HD1  LEU  33          3HD1      LEU  33 -18.919   2.396   3.172
  230   1HD2  LEU  33          1HD2      LEU  33 -17.602  -1.618   3.648
  231   2HD2  LEU  33          2HD2      LEU  33 -19.032  -1.090   4.529
  232   3HD2  LEU  33          3HD2      LEU  33 -17.432  -0.555   5.041
  233    H    LEU  34           H        LEU  34 -20.275  -1.848   4.128
  234    HA   LEU  34           HA       LEU  34 -22.296  -0.495   5.619
  235   1HB   LEU  34          1HB       LEU  34 -21.547  -2.892   5.882
  236   2HB   LEU  34          2HB       LEU  34 -20.109  -2.266   6.665
  237    HG   LEU  34           HG       LEU  34 -21.671  -1.111   8.297
  238   1HD1  LEU  34          1HD1      LEU  34 -23.709  -1.243   7.024
  239   2HD1  LEU  34          2HD1      LEU  34 -23.899  -2.123   8.541
  240   3HD1  LEU  34          3HD1      LEU  34 -23.638  -3.005   7.035
  241   1HD2  LEU  34          1HD2      LEU  34 -21.964  -3.154   9.633
  242   2HD2  LEU  34          2HD2      LEU  34 -20.360  -3.064   8.908
  243   3HD2  LEU  34          3HD2      LEU  34 -21.586  -4.127   8.212
  244    H    LYS  35           H        LYS  35 -18.860  -0.898   6.626
  245    HA   LYS  35           HA       LYS  35 -18.723   1.999   7.019
  246   1HB   LYS  35          1HB       LYS  35 -16.963   1.352   8.850
  247   2HB   LYS  35          2HB       LYS  35 -18.678   1.297   9.228
  248   1HG   LYS  35          1HG       LYS  35 -17.662  -0.665  10.130
  249   2HG   LYS  35          2HG       LYS  35 -18.629  -1.159   8.743
  250   1HD   LYS  35          1HD       LYS  35 -16.548  -2.350   8.648
  251   2HD   LYS  35          2HD       LYS  35 -16.530  -1.131   7.362
  252   1HE   LYS  35          1HE       LYS  35 -14.394  -1.239   8.531
  253   2HE   LYS  35          2HE       LYS  35 -15.170   0.330   8.745
  254   1HZ   LYS  35          1HZ       LYS  35 -14.124  -0.736  10.771
  255   2HZ   LYS  35          2HZ       LYS  35 -15.424  -1.828  10.763
  256   3HZ   LYS  35          3HZ       LYS  35 -15.711  -0.167  10.942
  257    HA   PRO  36           HA       PRO  36 -15.898   2.694   3.907
  258   1HB   PRO  36          1HB       PRO  36 -14.413   4.026   6.160
  259   2HB   PRO  36          2HB       PRO  36 -14.647   4.593   4.499
  260   1HG   PRO  36          1HG       PRO  36 -16.183   5.507   6.456
  261   2HG   PRO  36          2HG       PRO  36 -16.879   5.132   4.867
  262   1HD   PRO  36          1HD       PRO  36 -17.161   3.696   7.433
  263   2HD   PRO  36          2HD       PRO  36 -18.240   3.712   6.027
  264    HA   PRO  37           HA       PRO  37 -13.395  -0.887   4.165
  265   1HB   PRO  37          1HB       PRO  37 -11.453   0.066   2.360
  266   2HB   PRO  37          2HB       PRO  37 -12.791  -1.036   2.032
  267   1HG   PRO  37          1HG       PRO  37 -12.562   1.834   1.440
  268   2HG   PRO  37          2HG       PRO  37 -13.633   0.618   0.723
  269   1HD   PRO  37          1HD       PRO  37 -14.484   2.578   2.430
  270   2HD   PRO  37          2HD       PRO  37 -15.300   1.011   2.245
  271    H    VAL  38           H        VAL  38 -11.886  -1.463   5.453
  272    HA   VAL  38           HA       VAL  38 -10.007   0.507   6.471
  273    HB   VAL  38           HB       VAL  38 -10.149  -2.230   7.568
  274   1HG1  VAL  38          1HG1      VAL  38  -8.448  -0.735   8.369
  275   2HG1  VAL  38          2HG1      VAL  38  -9.592  -1.084   9.665
  276   3HG1  VAL  38          3HG1      VAL  38  -9.667   0.459   8.813
  277   1HG2  VAL  38          1HG2      VAL  38 -12.498  -1.628   7.471
  278   2HG2  VAL  38          2HG2      VAL  38 -12.154  -0.100   8.282
  279   3HG2  VAL  38          3HG2      VAL  38 -11.935  -1.625   9.141
  280    H    VAL  39           H        VAL  39  -8.470   0.479   5.209
  281    HA   VAL  39           HA       VAL  39  -7.222  -1.977   4.292
  282    HB   VAL  39           HB       VAL  39  -6.376   0.692   3.298
  283   1HG1  VAL  39          1HG1      VAL  39  -6.552  -1.997   1.975
  284   2HG1  VAL  39          2HG1      VAL  39  -5.106  -1.262   2.667
  285   3HG1  VAL  39          3HG1      VAL  39  -5.875  -0.538   1.256
  286   1HG2  VAL  39          1HG2      VAL  39  -8.024   0.774   1.550
  287   2HG2  VAL  39          2HG2      VAL  39  -8.843   0.724   3.112
  288   3HG2  VAL  39          3HG2      VAL  39  -8.751  -0.732   2.118
  289    H    LYS  40           H        LYS  40  -5.691  -2.438   5.629
  290    HA   LYS  40           HA       LYS  40  -4.002  -0.369   6.664
  291   1HB   LYS  40          1HB       LYS  40  -3.131  -2.089   8.203
  292   2HB   LYS  40          2HB       LYS  40  -4.811  -1.703   8.442
  293   1HG   LYS  40          1HG       LYS  40  -4.863  -3.970   8.624
  294   2HG   LYS  40          2HG       LYS  40  -5.167  -3.779   6.900
  295   1HD   LYS  40          1HD       LYS  40  -3.556  -5.522   7.141
  296   2HD   LYS  40          2HD       LYS  40  -2.707  -4.115   6.505
  297   1HE   LYS  40          1HE       LYS  40  -2.776  -4.840   9.440
  298   2HE   LYS  40          2HE       LYS  40  -1.523  -5.405   8.340
  299   1HZ   LYS  40          1HZ       LYS  40  -0.991  -3.038   7.885
  300   2HZ   LYS  40          2HZ       LYS  40  -0.742  -3.470   9.498
  301   3HZ   LYS  40          3HZ       LYS  40  -2.111  -2.579   9.069
  302    H    TRP  41           H        TRP  41  -2.245  -0.095   5.961
  303    HA   TRP  41           HA       TRP  41  -1.088  -1.765   3.936
  304   1HB   TRP  41          1HB       TRP  41  -0.298   0.832   5.229
  305   2HB   TRP  41          2HB       TRP  41   0.769  -0.007   4.109
  306    HD1  TRP  41           HD1      TRP  41  -2.699   1.663   4.217
  307    HE1  TRP  41           HE1      TRP  41  -3.238   2.441   1.811
  308    HE3  TRP  41           HE3      TRP  41   1.285  -0.385   1.735
  309    HZ2  TRP  41           HZ2      TRP  41  -2.170   2.148  -0.795
  310    HZ3  TRP  41           HZ3      TRP  41   1.432  -0.100  -0.705
  311    HH2  TRP  41           HH2      TRP  41  -0.272   1.155  -1.927
  312    H    PHE  42           H        PHE  42   0.832  -2.764   4.035
  313    HA   PHE  42           HA       PHE  42   2.230  -2.907   6.608
  314   1HB   PHE  42          1HB       PHE  42   0.987  -5.087   5.965
  315   2HB   PHE  42          2HB       PHE  42   2.144  -5.206   4.645
  316    HD1  PHE  42           HD1      PHE  42   4.502  -5.650   5.080
  317    HD2  PHE  42           HD2      PHE  42   1.660  -5.489   8.251
  318    HE1  PHE  42           HE1      PHE  42   6.115  -6.746   6.578
  319    HE2  PHE  42           HE2      PHE  42   3.271  -6.607   9.759
  320    HZ   PHE  42           HZ       PHE  42   5.501  -7.197   8.938
  321    H    LYS  43           H        LYS  43   4.431  -2.735   6.355
  322    HA   LYS  43           HA       LYS  43   5.146  -1.628   3.737
  323   1HB   LYS  43          1HB       LYS  43   5.254  -0.157   5.819
  324   2HB   LYS  43          2HB       LYS  43   6.517  -1.223   6.429
  325   1HG   LYS  43          1HG       LYS  43   7.985  -0.542   4.635
  326   2HG   LYS  43          2HG       LYS  43   6.673   0.389   3.903
  327   1HD   LYS  43          1HD       LYS  43   8.186   0.963   6.423
  328   2HD   LYS  43          2HD       LYS  43   7.854   2.022   5.044
  329   1HE   LYS  43          1HE       LYS  43   5.387   1.519   5.741
  330   2HE   LYS  43          2HE       LYS  43   6.127   1.281   7.316
  331   1HZ   LYS  43          1HZ       LYS  43   7.051   3.498   7.195
  332   2HZ   LYS  43          2HZ       LYS  43   5.371   3.558   7.004
  333   3HZ   LYS  43          3HZ       LYS  43   6.382   3.730   5.660
  334    H    GLY  44           H        GLY  44   7.406  -1.997   3.131
  335   1HA   GLY  44          1HA       GLY  44   8.784  -3.939   2.541
  336   2HA   GLY  44          2HA       GLY  44   9.595  -2.819   3.582
  337    H    LYS  45           H        LYS  45  10.989  -4.690   3.971
  338    HA   LYS  45           HA       LYS  45  10.395  -7.260   4.504
  339   1HB   LYS  45          1HB       LYS  45  12.561  -5.420   5.118
  340   2HB   LYS  45          2HB       LYS  45  12.533  -6.808   6.188
  341   1HG   LYS  45          1HG       LYS  45  12.690  -8.303   4.301
  342   2HG   LYS  45          2HG       LYS  45  12.539  -6.943   3.183
  343   1HD   LYS  45          1HD       LYS  45  14.871  -7.630   3.388
  344   2HD   LYS  45          2HD       LYS  45  14.638  -6.009   4.041
  345   1HE   LYS  45          1HE       LYS  45  16.060  -7.213   5.536
  346   2HE   LYS  45          2HE       LYS  45  14.491  -7.019   6.314
  347   1HZ   LYS  45          1HZ       LYS  45  15.282  -9.238   6.654
  348   2HZ   LYS  45          2HZ       LYS  45  15.522  -9.478   4.993
  349   3HZ   LYS  45          3HZ       LYS  45  13.953  -9.306   5.606
  350    H    TRP  46           H        TRP  46   9.186  -4.974   6.735
  351    HA   TRP  46           HA       TRP  46   8.549  -6.978   8.649
  352   1HB   TRP  46          1HB       TRP  46   9.772  -5.746  10.491
  353   2HB   TRP  46          2HB       TRP  46  10.715  -6.781   9.441
  354    HD1  TRP  46           HD1      TRP  46  12.088  -5.438   7.451
  355    HE1  TRP  46           HE1      TRP  46  13.253  -3.158   7.545
  356    HE3  TRP  46           HE3      TRP  46   9.742  -3.563  11.561
  357    HZ2  TRP  46           HZ2      TRP  46  13.163  -0.818   9.185
  358    HZ3  TRP  46           HZ3      TRP  46  10.319  -1.301  12.332
  359    HH2  TRP  46           HH2      TRP  46  11.975   0.042  11.169
  360    H    VAL  47           H        VAL  47   8.098  -3.824   7.500
  361    HA   VAL  47           HA       VAL  47   7.333  -2.706   9.975
  362    HB   VAL  47           HB       VAL  47   7.107  -0.853   7.844
  363   1HG1  VAL  47          1HG1      VAL  47   8.853   0.326   9.091
  364   2HG1  VAL  47          2HG1      VAL  47   9.131  -1.132  10.042
  365   3HG1  VAL  47          3HG1      VAL  47   7.582  -0.295  10.146
  366   1HG2  VAL  47          1HG2      VAL  47   8.566  -2.125   6.455
  367   2HG2  VAL  47          2HG2      VAL  47   9.696  -2.397   7.786
  368   3HG2  VAL  47          3HG2      VAL  47   9.493  -0.780   7.112
  369    H    ASP  48           H        ASP  48   5.681  -1.276   9.932
  370    HA   ASP  48           HA       ASP  48   3.367  -1.828   8.246
  371   1HB   ASP  48          1HB       ASP  48   2.968  -2.359  10.663
  372   2HB   ASP  48          2HB       ASP  48   3.375  -0.690  11.067
  373    H    LEU  49           H        LEU  49   2.314   0.174   7.576
  374    HA   LEU  49           HA       LEU  49   4.220   2.337   7.442
  375   1HB   LEU  49          1HB       LEU  49   1.571   2.014   6.070
  376   2HB   LEU  49          2HB       LEU  49   2.605   3.423   5.934
  377    HG   LEU  49           HG       LEU  49   4.382   1.785   5.060
  378   1HD1  LEU  49          1HD1      LEU  49   3.650  -0.171   4.025
  379   2HD1  LEU  49          2HD1      LEU  49   1.949   0.232   4.262
  380   3HD1  LEU  49          3HD1      LEU  49   2.951  -0.229   5.645
  381   1HD2  LEU  49          1HD2      LEU  49   1.935   2.329   3.417
  382   2HD2  LEU  49          2HD2      LEU  49   3.583   2.092   2.832
  383   3HD2  LEU  49          3HD2      LEU  49   3.183   3.521   3.790
  384    H    SER  50           H        SER  50   1.217   1.786   9.090
  385    HA   SER  50           HA       SER  50   0.244   4.412   8.932
  386   1HB   SER  50          1HB       SER  50  -1.130   2.382   9.466
  387   2HB   SER  50          2HB       SER  50  -0.369   2.342  11.056
  388    HG   SER  50           HG       SER  50  -1.591   4.709  10.162
  389    H    SER  51           H        SER  51   2.658   2.900  10.776
  390    HA   SER  51           HA       SER  51   2.579   5.008  12.684
  391   1HB   SER  51          1HB       SER  51   3.839   2.328  12.658
  392   2HB   SER  51          2HB       SER  51   4.443   3.557  13.757
  393    HG   SER  51           HG       SER  51   2.382   3.721  14.660
  394    H    LYS  52           H        LYS  52   4.455   3.988  10.012
  395    HA   LYS  52           HA       LYS  52   6.792   5.468  10.910
  396   1HB   LYS  52          1HB       LYS  52   6.747   3.870   8.418
  397   2HB   LYS  52          2HB       LYS  52   8.039   4.089   9.586
  398   1HG   LYS  52          1HG       LYS  52   5.618   2.368   9.851
  399   2HG   LYS  52          2HG       LYS  52   7.279   1.828   9.635
  400   1HD   LYS  52          1HD       LYS  52   6.358   3.377  12.048
  401   2HD   LYS  52          2HD       LYS  52   6.298   1.617  11.953
  402   1HE   LYS  52          1HE       LYS  52   8.293   2.079  13.080
  403   2HE   LYS  52          2HE       LYS  52   8.795   1.736  11.428
  404   1HZ   LYS  52          1HZ       LYS  52   8.325   4.508  12.341
  405   2HZ   LYS  52          2HZ       LYS  52   9.259   3.970  11.030
  406   3HZ   LYS  52          3HZ       LYS  52   9.808   3.737  12.616
  407    H    VAL  53           H        VAL  53   4.698   5.143   8.196
  408    HA   VAL  53           HA       VAL  53   5.159   6.583   6.216
  409    HB   VAL  53           HB       VAL  53   2.755   6.684   7.962
  410   1HG1  VAL  53          1HG1      VAL  53   1.517   7.709   6.046
  411   2HG1  VAL  53          2HG1      VAL  53   3.077   8.126   5.320
  412   3HG1  VAL  53          3HG1      VAL  53   2.603   8.843   6.867
  413   1HG2  VAL  53          1HG2      VAL  53   3.336   4.693   6.715
  414   2HG2  VAL  53          2HG2      VAL  53   3.298   5.626   5.214
  415   3HG2  VAL  53          3HG2      VAL  53   1.822   5.406   6.156
  416    H    GLY  54           H        GLY  54   6.584   7.913   6.096
  417   1HA   GLY  54          1HA       GLY  54   6.172  10.644   7.063
  418   2HA   GLY  54          2HA       GLY  54   7.601   9.838   7.692
  419    H    GLN  55           H        GLN  55   9.111  11.134   6.718
  420    HA   GLN  55           HA       GLN  55   8.826  12.244   4.153
  421   1HB   GLN  55          1HB       GLN  55  10.259  13.060   6.100
  422   2HB   GLN  55          2HB       GLN  55  11.453  11.881   5.574
  423   1HG   GLN  55          1HG       GLN  55  11.999  14.047   4.696
  424   2HG   GLN  55          2HG       GLN  55  11.539  12.969   3.380
  425   1HE2  GLN  55          1HE2      GLN  55   9.263  14.448   5.567
  426   2HE2  GLN  55          2HE2      GLN  55   8.536  15.503   4.410
  427    H    HIS  56           H        HIS  56   9.884   9.111   5.027
  428    HA   HIS  56           HA       HIS  56  11.291   8.771   2.466
  429   1HB   HIS  56          1HB       HIS  56  12.113   6.629   3.425
  430   2HB   HIS  56          2HB       HIS  56  12.557   8.017   4.406
  431    HD1  HIS  56           HD1      HIS  56  10.455   4.935   4.442
  432    HD2  HIS  56           HD2      HIS  56  11.380   8.118   6.947
  433    HE1  HIS  56           HE1      HIS  56   9.425   4.367   6.667
  434    HE2  HIS  56           HE2      HIS  56  10.140   6.239   8.209
  435    H    LEU  57           H        LEU  57   8.669   7.505   4.351
  436    HA   LEU  57           HA       LEU  57   7.462   6.458   1.890
  437   1HB   LEU  57          1HB       LEU  57   8.035   4.543   3.268
  438   2HB   LEU  57          2HB       LEU  57   7.524   5.327   4.710
  439    HG   LEU  57           HG       LEU  57   5.622   4.277   4.590
  440   1HD1  LEU  57          1HD1      LEU  57   4.063   4.274   2.671
  441   2HD1  LEU  57          2HD1      LEU  57   5.277   5.141   1.732
  442   3HD1  LEU  57          3HD1      LEU  57   4.561   5.896   3.158
  443   1HD2  LEU  57          1HD2      LEU  57   6.930   2.475   3.890
  444   2HD2  LEU  57          2HD2      LEU  57   6.820   2.983   2.206
  445   3HD2  LEU  57          3HD2      LEU  57   5.384   2.402   3.047
  446    H    GLN  58           H        GLN  58   6.154   8.297   1.617
  447    HA   GLN  58           HA       GLN  58   4.345   8.966   3.741
  448   1HB   GLN  58          1HB       GLN  58   4.445  10.018   0.905
  449   2HB   GLN  58          2HB       GLN  58   3.549  10.703   2.251
  450   1HG   GLN  58          1HG       GLN  58   5.304  12.102   2.218
  451   2HG   GLN  58          2HG       GLN  58   5.972  10.895   3.291
  452   1HE2  GLN  58          1HE2      GLN  58   7.679   9.682   2.610
  453   2HE2  GLN  58          2HE2      GLN  58   8.542   9.987   1.142
  454    H    LEU  59           H        LEU  59   2.771   7.714   3.911
  455    HA   LEU  59           HA       LEU  59   1.548   6.336   1.662
  456   1HB   LEU  59          1HB       LEU  59   2.177   5.146   3.874
  457   2HB   LEU  59          2HB       LEU  59   0.908   6.077   4.621
  458    HG   LEU  59           HG       LEU  59   0.661   3.792   2.689
  459   1HD1  LEU  59          1HD1      LEU  59   0.872   3.136   4.891
  460   2HD1  LEU  59          2HD1      LEU  59  -0.881   3.143   4.611
  461   3HD1  LEU  59          3HD1      LEU  59  -0.114   4.481   5.486
  462   1HD2  LEU  59          1HD2      LEU  59  -1.749   4.175   2.651
  463   2HD2  LEU  59          2HD2      LEU  59  -0.850   5.467   1.831
  464   3HD2  LEU  59          3HD2      LEU  59  -1.512   5.734   3.454
  465    H    HIS  60           H        HIS  60   0.515   8.031   0.734
  466    HA   HIS  60           HA       HIS  60  -1.104   9.798   2.225
  467   1HB   HIS  60          1HB       HIS  60  -0.625   9.541  -0.728
  468   2HB   HIS  60          2HB       HIS  60  -1.694  10.715  -0.013
  469    HD1  HIS  60           HD1      HIS  60  -0.713  12.913   0.521
  470    HD2  HIS  60           HD2      HIS  60   2.188   9.961   0.110
  471    HE1  HIS  60           HE1      HIS  60   1.492  14.107   0.652
  472    HE2  HIS  60           HE2      HIS  60   3.226  12.334   0.229
  473    H    ASP  61           H        ASP  61  -3.130  10.129   1.644
  474    HA   ASP  61           HA       ASP  61  -4.660   7.925   0.638
  475   1HB   ASP  61          1HB       ASP  61  -6.362   8.844   2.466
  476   2HB   ASP  61          2HB       ASP  61  -5.317   7.460   2.668
  477    H    SER  62           H        SER  62  -5.644   8.490  -0.802
  478    HA   SER  62           HA       SER  62  -6.645  11.217  -1.136
  479   1HB   SER  62          1HB       SER  62  -6.750   9.244  -3.357
  480   2HB   SER  62          2HB       SER  62  -6.573  10.989  -3.428
  481    HG   SER  62           HG       SER  62  -4.593   9.122  -2.608
  482    H    TYR  63           H        TYR  63  -8.774  11.552  -1.683
  483    HA   TYR  63           HA       TYR  63 -10.556   9.328  -1.306
  484   1HB   TYR  63          1HB       TYR  63 -10.416   9.975   0.898
  485   2HB   TYR  63          2HB       TYR  63 -10.360  11.689   0.529
  486    HD1  TYR  63           HD1      TYR  63 -12.291  12.949   0.792
  487    HD2  TYR  63           HD2      TYR  63 -12.637   8.733   0.376
  488    HE1  TYR  63           HE1      TYR  63 -14.696  13.111   1.278
  489    HE2  TYR  63           HE2      TYR  63 -15.044   8.877   0.840
  490    HH   TYR  63           HH       TYR  63 -16.583  10.465   2.074
  491    H    ASP  64           H        ASP  64 -11.247   9.439  -3.248
  492    HA   ASP  64           HA       ASP  64 -12.703  11.844  -4.061
  493   1HB   ASP  64          1HB       ASP  64 -11.699   9.538  -5.677
  494   2HB   ASP  64          2HB       ASP  64 -12.530  10.919  -6.297
  495    H    ARG  65           H        ARG  65 -14.681  11.533  -3.372
  496    HA   ARG  65           HA       ARG  65 -15.882   8.966  -3.167
  497   1HB   ARG  65          1HB       ARG  65 -16.333  11.447  -2.000
  498   2HB   ARG  65          2HB       ARG  65 -17.762  11.157  -2.993
  499   1HG   ARG  65          1HG       ARG  65 -16.625   9.277  -0.955
  500   2HG   ARG  65          2HG       ARG  65 -18.053  10.293  -0.742
  501   1HD   ARG  65          1HD       ARG  65 -17.974   8.537  -3.124
  502   2HD   ARG  65          2HD       ARG  65 -18.209   7.733  -1.561
  503    HE   ARG  65           HE       ARG  65 -20.135   9.351  -1.277
  504   1HH1  ARG  65          1HH1      ARG  65 -19.010   8.422  -4.475
  505   2HH1  ARG  65          2HH1      ARG  65 -20.564   8.633  -5.224
  506   1HH2  ARG  65          1HH2      ARG  65 -22.194   9.604  -2.271
  507   2HH2  ARG  65          2HH2      ARG  65 -22.365   9.280  -3.977
  508    H    ALA  66           H        ALA  66 -16.097  11.664  -5.335
  509    HA   ALA  66           HA       ALA  66 -18.227  10.642  -6.915
  510   1HB   ALA  66          1HB       ALA  66 -17.676  12.420  -8.479
  511   2HB   ALA  66          2HB       ALA  66 -16.165  12.717  -7.624
  512   3HB   ALA  66          3HB       ALA  66 -17.706  13.031  -6.827
  513    H    SER  67           H        SER  67 -14.951   9.893  -6.654
  514    HA   SER  67           HA       SER  67 -14.983   8.475  -9.218
  515   1HB   SER  67          1HB       SER  67 -12.967   9.883  -8.698
  516   2HB   SER  67          2HB       SER  67 -12.669   8.864  -7.291
  517    HG   SER  67           HG       SER  67 -12.941   7.666  -9.822
  518    H    LYS  68           H        LYS  68 -15.301   8.256  -5.861
  519    HA   LYS  68           HA       LYS  68 -15.868   6.581  -4.427
  520   1HB   LYS  68          1HB       LYS  68 -17.393   6.077  -6.410
  521   2HB   LYS  68          2HB       LYS  68 -16.204   4.866  -6.864
  522   1HG   LYS  68          1HG       LYS  68 -17.977   3.793  -5.711
  523   2HG   LYS  68          2HG       LYS  68 -16.549   3.768  -4.684
  524   1HD   LYS  68          1HD       LYS  68 -18.631   5.904  -4.386
  525   2HD   LYS  68          2HD       LYS  68 -18.836   4.322  -3.630
  526   1HE   LYS  68          1HE       LYS  68 -16.469   4.732  -2.669
  527   2HE   LYS  68          2HE       LYS  68 -16.767   6.422  -3.075
  528   1HZ   LYS  68          1HZ       LYS  68 -17.397   5.927  -0.787
  529   2HZ   LYS  68          2HZ       LYS  68 -18.470   4.731  -1.318
  530   3HZ   LYS  68          3HZ       LYS  68 -18.759   6.352  -1.694
  531    H    VAL  69           H        VAL  69 -13.174   7.023  -5.121
  532    HA   VAL  69           HA       VAL  69 -12.079   4.390  -4.511
  533    HB   VAL  69           HB       VAL  69 -10.594   6.367  -6.223
  534   1HG1  VAL  69          1HG1      VAL  69  -9.202   4.433  -6.757
  535   2HG1  VAL  69          2HG1      VAL  69 -10.196   3.435  -5.696
  536   3HG1  VAL  69          3HG1      VAL  69  -9.247   4.759  -5.022
  537   1HG2  VAL  69          1HG2      VAL  69 -11.126   5.002  -8.185
  538   2HG2  VAL  69          2HG2      VAL  69 -12.594   5.680  -7.474
  539   3HG2  VAL  69          3HG2      VAL  69 -12.179   3.989  -7.199
  540    H    TYR  70           H        TYR  70 -10.816   4.452  -2.845
  541    HA   TYR  70           HA       TYR  70  -9.638   6.974  -1.973
  542   1HB   TYR  70          1HB       TYR  70  -9.386   4.389  -0.498
  543   2HB   TYR  70          2HB       TYR  70  -9.205   6.013   0.123
  544    HD1  TYR  70           HD1      TYR  70 -11.180   3.349   0.562
  545    HD2  TYR  70           HD2      TYR  70 -11.556   7.419  -0.606
  546    HE1  TYR  70           HE1      TYR  70 -13.520   3.350   1.307
  547    HE2  TYR  70           HE2      TYR  70 -13.892   7.423   0.139
  548    HH   TYR  70           HH       TYR  70 -15.216   5.016   2.065
  549    H    LEU  71           H        LEU  71  -7.803   7.286  -2.869
  550    HA   LEU  71           HA       LEU  71  -6.164   5.028  -3.665
  551   1HB   LEU  71          1HB       LEU  71  -6.340   6.541  -5.487
  552   2HB   LEU  71          2HB       LEU  71  -6.006   7.928  -4.456
  553    HG   LEU  71           HG       LEU  71  -3.713   7.101  -4.086
  554   1HD1  LEU  71          1HD1      LEU  71  -4.080   4.728  -4.364
  555   2HD1  LEU  71          2HD1      LEU  71  -2.814   5.296  -5.455
  556   3HD1  LEU  71          3HD1      LEU  71  -4.432   4.962  -6.080
  557   1HD2  LEU  71          1HD2      LEU  71  -4.432   7.402  -6.996
  558   2HD2  LEU  71          2HD2      LEU  71  -2.813   7.556  -6.303
  559   3HD2  LEU  71          3HD2      LEU  71  -4.076   8.705  -5.860
  560    H    PHE  72           H        PHE  72  -5.109   4.387  -2.072
  561    HA   PHE  72           HA       PHE  72  -3.641   6.192  -0.373
  562   1HB   PHE  72          1HB       PHE  72  -3.819   3.220  -0.559
  563   2HB   PHE  72          2HB       PHE  72  -2.818   4.036   0.623
  564    HD1  PHE  72           HD1      PHE  72  -6.169   3.001  -0.301
  565    HD2  PHE  72           HD2      PHE  72  -3.873   5.289   2.454
  566    HE1  PHE  72           HE1      PHE  72  -8.087   3.068   1.232
  567    HE2  PHE  72           HE2      PHE  72  -5.790   5.356   3.999
  568    HZ   PHE  72           HZ       PHE  72  -7.905   4.244   3.384
  569    H    GLU  73           H        GLU  73  -1.900   6.926  -1.164
  570    HA   GLU  73           HA       GLU  73  -0.436   5.368  -3.142
  571   1HB   GLU  73          1HB       GLU  73   0.244   7.536  -4.188
  572   2HB   GLU  73          2HB       GLU  73  -1.430   7.079  -4.402
  573   1HG   GLU  73          1HG       GLU  73  -2.062   9.050  -3.607
  574   2HG   GLU  73          2HG       GLU  73  -1.262   8.687  -2.074
  575    H    LEU  74           H        LEU  74   1.505   5.016  -2.744
  576    HA   LEU  74           HA       LEU  74   2.696   6.136  -0.373
  577   1HB   LEU  74          1HB       LEU  74   3.708   3.978  -2.211
  578   2HB   LEU  74          2HB       LEU  74   4.452   4.420  -0.692
  579    HG   LEU  74           HG       LEU  74   2.240   2.640  -1.264
  580   1HD1  LEU  74          1HD1      LEU  74   3.992   3.092   1.113
  581   2HD1  LEU  74          2HD1      LEU  74   4.210   1.901  -0.175
  582   3HD1  LEU  74          3HD1      LEU  74   2.853   1.752   0.944
  583   1HD2  LEU  74          1HD2      LEU  74   0.836   4.440  -0.445
  584   2HD2  LEU  74          2HD2      LEU  74   1.861   4.603   0.987
  585   3HD2  LEU  74          3HD2      LEU  74   0.913   3.135   0.746
  586    H    HIS  75           H        HIS  75   4.277   7.433  -0.450
  587    HA   HIS  75           HA       HIS  75   5.808   7.741  -2.946
  588   1HB   HIS  75          1HB       HIS  75   5.274   9.840  -0.806
  589   2HB   HIS  75          2HB       HIS  75   6.482  10.021  -2.069
  590    HD1  HIS  75           HD1      HIS  75   4.506  12.181  -2.032
  591    HD2  HIS  75           HD2      HIS  75   3.736   8.618  -4.037
  592    HE1  HIS  75           HE1      HIS  75   2.734  12.724  -3.732
  593    HE2  HIS  75           HE2      HIS  75   2.084  10.492  -4.691
  594    H    ILE  76           H        ILE  76   7.283   6.268  -2.512
  595    HA   ILE  76           HA       ILE  76   8.570   6.407   0.115
  596    HB   ILE  76           HB       ILE  76   8.195   4.036  -1.649
  597   1HG1  ILE  76          1HG1      ILE  76   6.897   4.656   1.015
  598   2HG1  ILE  76          2HG1      ILE  76   6.084   4.675  -0.583
  599   1HG2  ILE  76          1HG2      ILE  76  10.283   3.880  -0.434
  600   2HG2  ILE  76          2HG2      ILE  76   9.114   2.755   0.262
  601   3HG2  ILE  76          3HG2      ILE  76   9.456   4.282   1.075
  602   1HD1  ILE  76          1HD1      ILE  76   7.405   2.274   0.646
  603   2HD1  ILE  76          2HD1      ILE  76   6.534   2.333  -0.887
  604   3HD1  ILE  76          3HD1      ILE  76   5.677   2.606   0.628
  605    H    THR  77           H        THR  77  10.297   7.435  -0.279
  606    HA   THR  77           HA       THR  77  11.940   6.708  -2.510
  607    HB   THR  77           HB       THR  77  12.688   8.893  -2.788
  608    HG1  THR  77           HG1      THR  77  12.921   9.575  -0.636
  609   1HG2  THR  77          1HG2      THR  77  10.672  10.116  -3.291
  610   2HG2  THR  77          2HG2      THR  77   9.767   9.159  -2.116
  611   3HG2  THR  77          3HG2      THR  77  10.379   8.397  -3.585
  612    H    ASP  78           H        ASP  78  13.877   6.522  -2.213
  613    HA   ASP  78           HA       ASP  78  15.957   6.268  -1.386
  614   1HB   ASP  78          1HB       ASP  78  14.765   7.798   0.842
  615   2HB   ASP  78          2HB       ASP  78  16.345   7.069   0.959
  616    H    ALA  79           H        ALA  79  15.081   4.268  -1.586
  617    HA   ALA  79           HA       ALA  79  14.075   2.683   0.509
  618   1HB   ALA  79          1HB       ALA  79  14.484   0.784  -0.971
  619   2HB   ALA  79          2HB       ALA  79  15.418   1.825  -2.048
  620   3HB   ALA  79          3HB       ALA  79  13.693   2.112  -1.824
  621    H    GLN  80           H        GLN  80  15.209   2.435   2.279
  622    HA   GLN  80           HA       GLN  80  17.971   2.115   2.571
  623   1HB   GLN  80          1HB       GLN  80  16.634   2.573   4.492
  624   2HB   GLN  80          2HB       GLN  80  15.565   1.221   4.162
  625   1HG   GLN  80          1HG       GLN  80  16.725   0.252   5.792
  626   2HG   GLN  80          2HG       GLN  80  17.868  -0.090   4.496
  627   1HE2  GLN  80          1HE2      GLN  80  18.754   2.715   4.304
  628   2HE2  GLN  80          2HE2      GLN  80  19.730   3.001   5.703
  629    HA   PRO  81           HA       PRO  81  18.687  -1.856   0.711
  630   1HB   PRO  81          1HB       PRO  81  20.640  -2.386   2.870
  631   2HB   PRO  81          2HB       PRO  81  20.890  -2.308   1.125
  632   1HG   PRO  81          1HG       PRO  81  21.756  -0.373   2.775
  633   2HG   PRO  81          2HG       PRO  81  21.184  -0.031   1.131
  634   1HD   PRO  81          1HD       PRO  81  19.816   0.402   3.748
  635   2HD   PRO  81          2HD       PRO  81  19.762   1.379   2.266
  636    H    ALA  82           H        ALA  82  17.893  -1.506   4.051
  637    HA   ALA  82           HA       ALA  82  17.237  -4.347   4.294
  638   1HB   ALA  82          1HB       ALA  82  16.917  -3.877   6.677
  639   2HB   ALA  82          2HB       ALA  82  17.264  -2.173   6.383
  640   3HB   ALA  82          3HB       ALA  82  18.519  -3.385   6.130
  641    H    PHE  83           H        PHE  83  15.751  -2.066   2.777
  642    HA   PHE  83           HA       PHE  83  13.264  -1.958   4.235
  643   1HB   PHE  83          1HB       PHE  83  14.473  -0.348   2.323
  644   2HB   PHE  83          2HB       PHE  83  13.159  -1.118   1.443
  645    HD1  PHE  83           HD1      PHE  83  11.526  -1.269   4.225
  646    HD2  PHE  83           HD2      PHE  83  13.360   1.797   1.914
  647    HE1  PHE  83           HE1      PHE  83   9.963   0.370   5.161
  648    HE2  PHE  83           HE2      PHE  83  11.801   3.442   2.855
  649    HZ   PHE  83           HZ       PHE  83  10.094   2.734   4.477
  650    H    THR  84           H        THR  84  14.672  -3.703   1.564
  651    HA   THR  84           HA       THR  84  13.358  -4.572  -0.268
  652    HB   THR  84           HB       THR  84  13.899  -6.594   1.855
  653    HG1  THR  84           HG1      THR  84  15.909  -6.791   0.658
  654   1HG2  THR  84          1HG2      THR  84  14.158  -8.147  -0.097
  655   2HG2  THR  84          2HG2      THR  84  13.545  -6.859  -1.141
  656   3HG2  THR  84          3HG2      THR  84  12.512  -7.553   0.111
  657    H    GLY  85           H        GLY  85  11.443  -3.725  -0.278
  658   1HA   GLY  85          1HA       GLY  85   9.415  -3.778   1.443
  659   2HA   GLY  85          2HA       GLY  85   9.220  -3.581  -0.279
  660    H    GLY  86           H        GLY  86   8.642  -5.405   2.318
  661   1HA   GLY  86          1HA       GLY  86   6.987  -7.023   0.548
  662   2HA   GLY  86          2HA       GLY  86   7.366  -7.466   2.207
  663    H    TYR  87           H        TYR  87   6.064  -4.815   0.376
  664    HA   TYR  87           HA       TYR  87   4.499  -3.777   2.556
  665   1HB   TYR  87          1HB       TYR  87   4.396  -3.166  -0.415
  666   2HB   TYR  87          2HB       TYR  87   3.636  -2.231   0.864
  667    HD1  TYR  87           HD1      TYR  87   6.887  -3.255  -0.553
  668    HD2  TYR  87           HD2      TYR  87   4.856  -0.582   2.055
  669    HE1  TYR  87           HE1      TYR  87   8.930  -1.913  -0.339
  670    HE2  TYR  87           HE2      TYR  87   6.903   0.763   2.278
  671    HH   TYR  87           HH       TYR  87   9.543   0.421   0.220
  672    H    ARG  88           H        ARG  88   2.571  -4.763   3.135
  673    HA   ARG  88           HA       ARG  88   1.057  -6.150   1.012
  674   1HB   ARG  88          1HB       ARG  88   1.766  -7.711   2.754
  675   2HB   ARG  88          2HB       ARG  88   1.027  -6.700   3.990
  676   1HG   ARG  88          1HG       ARG  88  -1.155  -7.051   2.651
  677   2HG   ARG  88          2HG       ARG  88  -0.290  -8.390   1.900
  678   1HD   ARG  88          1HD       ARG  88  -0.678  -8.052   4.868
  679   2HD   ARG  88          2HD       ARG  88  -1.694  -9.058   3.842
  680    HE   ARG  88           HE       ARG  88   0.959  -9.853   3.471
  681   1HH1  ARG  88          1HH1      ARG  88  -1.525  -9.875   5.957
  682   2HH1  ARG  88          2HH1      ARG  88  -0.856 -11.255   6.778
  683   1HH2  ARG  88          1HH2      ARG  88   1.820 -11.689   4.526
  684   2HH2  ARG  88          2HH2      ARG  88   1.072 -12.268   5.996
  685    H    CYS  89           H        CYS  89  -0.815  -5.292   0.467
  686    HA   CYS  89           HA       CYS  89  -2.094  -3.379   2.285
  687   1HB   CYS  89          1HB       CYS  89  -2.651  -4.077  -0.598
  688   2HB   CYS  89          2HB       CYS  89  -3.617  -2.955   0.343
  689    HG   CYS  89           HG       CYS  89  -0.439  -2.129   0.505
  690    H    GLU  90           H        GLU  90  -3.397  -4.304   3.671
  691    HA   GLU  90           HA       GLU  90  -4.945  -6.642   2.779
  692   1HB   GLU  90          1HB       GLU  90  -3.177  -7.046   4.504
  693   2HB   GLU  90          2HB       GLU  90  -4.028  -5.960   5.576
  694   1HG   GLU  90          1HG       GLU  90  -5.915  -7.466   5.667
  695   2HG   GLU  90          2HG       GLU  90  -5.143  -8.528   4.486
  696    H    VAL  91           H        VAL  91  -6.920  -5.876   2.286
  697    HA   VAL  91           HA       VAL  91  -7.995  -3.690   3.924
  698    HB   VAL  91           HB       VAL  91  -7.815  -3.039   1.622
  699   1HG1  VAL  91          1HG1      VAL  91  -9.027  -4.185  -0.175
  700   2HG1  VAL  91          2HG1      VAL  91  -9.526  -5.431   0.969
  701   3HG1  VAL  91          3HG1      VAL  91  -7.821  -5.231   0.571
  702   1HG2  VAL  91          1HG2      VAL  91 -10.690  -3.574   2.379
  703   2HG2  VAL  91          2HG2      VAL  91 -10.170  -2.469   1.107
  704   3HG2  VAL  91          3HG2      VAL  91  -9.738  -2.144   2.785
  705    H    SER  92           H        SER  92  -9.942  -3.725   4.763
  706    HA   SER  92           HA       SER  92 -11.559  -6.151   4.514
  707   1HB   SER  92          1HB       SER  92 -10.792  -4.875   7.155
  708   2HB   SER  92          2HB       SER  92 -11.912  -6.223   6.949
  709    HG   SER  92           HG       SER  92  -9.418  -6.558   5.791
  710    H    THR  93           H        THR  93 -13.304  -5.403   3.625
  711    HA   THR  93           HA       THR  93 -14.621  -3.003   4.766
  712    HB   THR  93           HB       THR  93 -15.101  -3.960   2.002
  713    HG1  THR  93           HG1      THR  93 -12.761  -3.688   2.439
  714   1HG2  THR  93          1HG2      THR  93 -15.544  -1.555   3.639
  715   2HG2  THR  93          2HG2      THR  93 -16.473  -2.180   2.264
  716   3HG2  THR  93          3HG2      THR  93 -14.995  -1.254   1.986
  717    H    LYS  94           H        LYS  94 -17.064  -3.196   4.396
  718    HA   LYS  94           HA       LYS  94 -18.449  -4.653   5.906
  719   1HB   LYS  94          1HB       LYS  94 -19.970  -5.387   3.757
  720   2HB   LYS  94          2HB       LYS  94 -20.039  -3.847   4.587
  721   1HG   LYS  94          1HG       LYS  94 -19.959  -3.381   2.282
  722   2HG   LYS  94          2HG       LYS  94 -18.373  -2.977   2.926
  723   1HD   LYS  94          1HD       LYS  94 -18.235  -4.112   0.764
  724   2HD   LYS  94          2HD       LYS  94 -17.474  -5.054   2.046
  725   1HE   LYS  94          1HE       LYS  94 -18.865  -6.386   0.455
  726   2HE   LYS  94          2HE       LYS  94 -19.307  -6.556   2.151
  727   1HZ   LYS  94          1HZ       LYS  94 -21.157  -5.045   1.803
  728   2HZ   LYS  94          2HZ       LYS  94 -21.250  -6.346   0.718
  729   3HZ   LYS  94          3HZ       LYS  94 -20.720  -4.831   0.181
  730    H    ASP  95           H        ASP  95 -17.687  -6.300   2.908
  731    HA   ASP  95           HA       ASP  95 -17.158  -8.744   4.290
  732   1HB   ASP  95          1HB       ASP  95 -19.661  -8.330   3.212
  733   2HB   ASP  95          2HB       ASP  95 -18.815  -9.227   1.964
  734    H    LYS  96           H        LYS  96 -16.294  -6.531   2.072
  735    HA   LYS  96           HA       LYS  96 -15.426  -8.416   0.056
  736   1HB   LYS  96          1HB       LYS  96 -16.026  -5.548  -0.139
  737   2HB   LYS  96          2HB       LYS  96 -14.438  -5.930  -0.710
  738   1HG   LYS  96          1HG       LYS  96 -16.824  -7.463  -1.639
  739   2HG   LYS  96          2HG       LYS  96 -16.353  -5.931  -2.378
  740   1HD   LYS  96          1HD       LYS  96 -14.076  -6.910  -2.747
  741   2HD   LYS  96          2HD       LYS  96 -14.721  -8.459  -2.199
  742   1HE   LYS  96          1HE       LYS  96 -15.852  -6.882  -4.500
  743   2HE   LYS  96          2HE       LYS  96 -14.661  -8.173  -4.683
  744   1HZ   LYS  96          1HZ       LYS  96 -17.383  -8.438  -3.542
  745   2HZ   LYS  96          2HZ       LYS  96 -16.234  -9.692  -3.634
  746   3HZ   LYS  96          3HZ       LYS  96 -16.868  -9.010  -5.051
  747    H    PHE  97           H        PHE  97 -13.561  -9.212   0.300
  748    HA   PHE  97           HA       PHE  97 -11.568  -7.711   1.811
  749   1HB   PHE  97          1HB       PHE  97 -12.456  -9.042   3.474
  750   2HB   PHE  97          2HB       PHE  97 -12.740 -10.380   2.378
  751    HD1  PHE  97           HD1      PHE  97 -10.052  -8.422   4.007
  752    HD2  PHE  97           HD2      PHE  97 -11.200 -12.160   2.326
  753    HE1  PHE  97           HE1      PHE  97  -7.930  -9.416   4.772
  754    HE2  PHE  97           HE2      PHE  97  -9.083 -13.162   3.086
  755    HZ   PHE  97           HZ       PHE  97  -7.445 -11.786   4.307
  756    H    ASP  98           H        ASP  98  -9.533  -7.976   1.232
  757    HA   ASP  98           HA       ASP  98  -8.548 -10.067  -0.425
  758   1HB   ASP  98          1HB       ASP  98  -9.937  -8.432  -1.971
  759   2HB   ASP  98          2HB       ASP  98  -8.508  -7.414  -1.825
  760    H    CYS  99           H        CYS  99  -6.233  -9.442  -1.171
  761    HA   CYS  99           HA       CYS  99  -5.024  -7.338   0.420
  762   1HB   CYS  99          1HB       CYS  99  -3.311  -8.899   1.351
  763   2HB   CYS  99          2HB       CYS  99  -4.920  -9.126   2.013
  764    HG   CYS  99           HG       CYS  99  -4.851 -11.675   1.641
  765    H    SER 100           H        SER 100  -2.954  -6.747  -0.286
  766    HA   SER 100           HA       SER 100  -2.215  -8.039  -2.847
  767   1HB   SER 100          1HB       SER 100  -1.617  -5.940  -3.801
  768   2HB   SER 100          2HB       SER 100  -3.204  -5.729  -3.081
  769    HG   SER 100           HG       SER 100  -0.813  -4.558  -2.435
  770    H    ASN 101           H        ASN 101  -0.170  -8.600  -3.169
  771    HA   ASN 101           HA       ASN 101   1.808  -7.942  -1.080
  772   1HB   ASN 101          1HB       ASN 101   1.634 -10.274  -1.114
  773   2HB   ASN 101          2HB       ASN 101   1.356 -10.328  -2.853
  774   1HD2  ASN 101          1HD2      ASN 101   3.167  -9.950  -4.259
  775   2HD2  ASN 101          2HD2      ASN 101   4.760 -10.374  -3.723
  776    H    PHE 102           H        PHE 102   3.390  -6.533  -1.708
  777    HA   PHE 102           HA       PHE 102   4.427  -6.874  -4.382
  778   1HB   PHE 102          1HB       PHE 102   4.462  -4.400  -4.770
  779   2HB   PHE 102          2HB       PHE 102   2.887  -5.168  -4.869
  780    HD1  PHE 102           HD1      PHE 102   4.765  -2.528  -3.471
  781    HD2  PHE 102           HD2      PHE 102   1.399  -5.035  -2.777
  782    HE1  PHE 102           HE1      PHE 102   3.847  -0.871  -1.913
  783    HE2  PHE 102           HE2      PHE 102   0.489  -3.375  -1.218
  784    HZ   PHE 102           HZ       PHE 102   1.712  -1.294  -0.782
  785    H    ASN 103           H        ASN 103   6.548  -6.691  -4.472
  786    HA   ASN 103           HA       ASN 103   7.868  -6.052  -1.949
  787   1HB   ASN 103          1HB       ASN 103   9.722  -7.430  -2.899
  788   2HB   ASN 103          2HB       ASN 103   8.276  -8.297  -2.525
  789   1HD2  ASN 103          1HD2      ASN 103   7.267  -9.380  -4.101
  790   2HD2  ASN 103          2HD2      ASN 103   7.842  -9.465  -5.717
  791    H    LEU 104           H        LEU 104   9.435  -4.757  -1.839
  792    HA   LEU 104           HA       LEU 104  10.339  -3.369  -4.283
  793   1HB   LEU 104          1HB       LEU 104   9.737  -1.541  -3.076
  794   2HB   LEU 104          2HB       LEU 104   9.923  -2.337  -1.518
  795    HG   LEU 104           HG       LEU 104  12.444  -2.073  -2.661
  796   1HD1  LEU 104          1HD1      LEU 104  11.589  -0.487  -4.224
  797   2HD1  LEU 104          2HD1      LEU 104  12.601   0.346  -3.042
  798   3HD1  LEU 104          3HD1      LEU 104  10.844   0.437  -2.922
  799   1HD2  LEU 104          1HD2      LEU 104  11.047  -0.824  -0.357
  800   2HD2  LEU 104          2HD2      LEU 104  12.647  -0.249  -0.826
  801   3HD2  LEU 104          3HD2      LEU 104  12.422  -1.939  -0.372
  802    H    THR 105           H        THR 105  12.100  -4.353  -4.982
  803    HA   THR 105           HA       THR 105  13.927  -5.524  -3.052
  804    HB   THR 105           HB       THR 105  14.332  -5.444  -6.034
  805    HG1  THR 105           HG1      THR 105  12.322  -6.642  -4.731
  806   1HG2  THR 105          1HG2      THR 105  15.640  -7.459  -5.619
  807   2HG2  THR 105          2HG2      THR 105  15.226  -7.386  -3.906
  808   3HG2  THR 105          3HG2      THR 105  16.226  -6.125  -4.622
  809    H    VAL 106           H        VAL 106  14.885  -3.828  -2.081
  810    HA   VAL 106           HA       VAL 106  15.986  -1.660  -3.528
  811    HB   VAL 106           HB       VAL 106  15.317  -1.209  -1.259
  812   1HG1  VAL 106          1HG1      VAL 106  17.081  -3.486  -0.533
  813   2HG1  VAL 106          2HG1      VAL 106  15.363  -3.234  -0.190
  814   3HG1  VAL 106          3HG1      VAL 106  16.582  -2.254   0.628
  815   1HG2  VAL 106          1HG2      VAL 106  17.159   0.074  -2.091
  816   2HG2  VAL 106          2HG2      VAL 106  18.298  -1.175  -1.567
  817   3HG2  VAL 106          3HG2      VAL 106  17.390  -0.256  -0.369
  818    H    HIS 107           H        HIS 107  17.540  -1.897  -4.675
  819    HA   HIS 107           HA       HIS 107  19.330  -4.105  -4.671
  820   1HB   HIS 107          1HB       HIS 107  19.148  -1.596  -6.351
  821   2HB   HIS 107          2HB       HIS 107  20.471  -2.740  -6.527
  822    HD1  HIS 107           HD1      HIS 107  19.802  -3.314  -8.924
  823    HD2  HIS 107           HD2      HIS 107  16.836  -4.141  -6.124
  824    HE1  HIS 107           HE1      HIS 107  18.100  -4.703 -10.135
  825    HE2  HIS 107           HE2      HIS 107  16.420  -5.365  -8.378
  826    H    GLU 108           H        GLU 108  20.336  -4.031  -2.829
  827    HA   GLU 108           HA       GLU 108  21.922  -1.831  -1.968
  828   1HB   GLU 108          1HB       GLU 108  21.012  -3.649  -0.468
  829   2HB   GLU 108          2HB       GLU 108  22.178  -4.750  -1.181
  830   1HG   GLU 108          1HG       GLU 108  23.254  -2.245  -0.053
  831   2HG   GLU 108          2HG       GLU 108  22.602  -3.418   1.090
  832    H    ALA 109           H        ALA 109  23.244  -1.190  -3.576
  833    HA   ALA 109           HA       ALA 109  25.075  -3.188  -4.723
  834   1HB   ALA 109          1HB       ALA 109  24.092  -0.626  -5.968
  835   2HB   ALA 109          2HB       ALA 109  23.489  -2.241  -6.338
  836   3HB   ALA 109          3HB       ALA 109  25.157  -1.811  -6.723
  837    H    MET 110           H        MET 110  27.208  -2.632  -5.050
  838    HA   MET 110           HA       MET 110  29.208  -1.630  -4.770
  839   1HB   MET 110          1HB       MET 110  28.079   0.343  -5.765
  840   2HB   MET 110          2HB       MET 110  27.649   0.879  -4.145
  841   1HG   MET 110          1HG       MET 110  29.982   1.118  -3.568
  842   2HG   MET 110          2HG       MET 110  30.461   0.495  -5.147
  843   1HE   MET 110          1HE       MET 110  28.138   1.926  -6.944
  844   2HE   MET 110          2HE       MET 110  29.817   1.762  -7.455
  845   3HE   MET 110          3HE       MET 110  29.032   3.340  -7.505
  Start of MODEL   25
    1    H    ASP   1           H        ASP   1 -17.067 -12.904   0.222
    2    HA   ASP   1           HA       ASP   1 -16.271 -10.036   0.087
    3   1HB   ASP   1          1HB       ASP   1 -15.594 -12.248  -1.878
    4   2HB   ASP   1          2HB       ASP   1 -14.923 -10.622  -1.786
    5    H    ASP   2           H        ASP   2 -17.807  -8.939  -0.687
    6    HA   ASP   2           HA       ASP   2 -19.803 -10.169  -2.450
    7   1HB   ASP   2          1HB       ASP   2 -20.774  -9.626  -0.352
    8   2HB   ASP   2          2HB       ASP   2 -19.918  -8.090  -0.278
    9    HA   PRO   3           HA       PRO   3 -18.669  -7.619  -5.855
   10   1HB   PRO   3          1HB       PRO   3 -21.206  -6.445  -6.344
   11   2HB   PRO   3          2HB       PRO   3 -20.497  -7.855  -7.133
   12   1HG   PRO   3          1HG       PRO   3 -22.430  -7.716  -4.888
   13   2HG   PRO   3          2HG       PRO   3 -22.240  -8.959  -6.139
   14   1HD   PRO   3          1HD       PRO   3 -21.451  -9.396  -3.619
   15   2HD   PRO   3          2HD       PRO   3 -20.513 -10.016  -4.995
   16    H    ILE   4           H        ILE   4 -17.389  -6.217  -4.652
   17    HA   ILE   4           HA       ILE   4 -18.436  -3.453  -4.535
   18    HB   ILE   4           HB       ILE   4 -16.611  -4.925  -2.678
   19   1HG1  ILE   4          1HG1      ILE   4 -17.771  -3.430  -1.016
   20   2HG1  ILE   4          2HG1      ILE   4 -18.744  -2.806  -2.346
   21   1HG2  ILE   4          1HG2      ILE   4 -15.717  -2.775  -1.822
   22   2HG2  ILE   4          2HG2      ILE   4 -16.386  -1.967  -3.244
   23   3HG2  ILE   4          3HG2      ILE   4 -15.128  -3.194  -3.431
   24   1HD1  ILE   4          1HD1      ILE   4 -19.923  -4.501  -1.087
   25   2HD1  ILE   4          2HD1      ILE   4 -18.625  -5.654  -1.417
   26   3HD1  ILE   4          3HD1      ILE   4 -19.621  -5.040  -2.744
   27    H    GLY   5           H        GLY   5 -15.409  -5.288  -4.606
   28   1HA   GLY   5          1HA       GLY   5 -13.862  -5.315  -6.417
   29   2HA   GLY   5          2HA       GLY   5 -14.660  -3.888  -7.071
   30    H    LEU   6           H        LEU   6 -13.930  -4.374  -3.810
   31    HA   LEU   6           HA       LEU   6 -12.876  -2.098  -2.960
   32   1HB   LEU   6          1HB       LEU   6 -13.156  -4.642  -2.034
   33   2HB   LEU   6          2HB       LEU   6 -11.414  -4.490  -2.068
   34    HG   LEU   6           HG       LEU   6 -11.516  -2.611  -0.549
   35   1HD1  LEU   6          1HD1      LEU   6 -13.505  -1.779   0.412
   36   2HD1  LEU   6          2HD1      LEU   6 -14.473  -3.025  -0.376
   37   3HD1  LEU   6          3HD1      LEU   6 -13.730  -1.748  -1.337
   38   1HD2  LEU   6          1HD2      LEU   6 -12.260  -3.801   1.403
   39   2HD2  LEU   6          2HD2      LEU   6 -11.406  -4.882   0.298
   40   3HD2  LEU   6          3HD2      LEU   6 -13.172  -4.920   0.386
   41    H    PHE   7           H        PHE   7 -10.905  -4.751  -4.237
   42    HA   PHE   7           HA       PHE   7  -8.635  -3.074  -4.667
   43   1HB   PHE   7          1HB       PHE   7  -9.295  -5.898  -4.831
   44   2HB   PHE   7          2HB       PHE   7  -8.282  -5.375  -6.174
   45    HD1  PHE   7           HD1      PHE   7  -8.189  -3.941  -2.778
   46    HD2  PHE   7           HD2      PHE   7  -6.315  -6.517  -5.593
   47    HE1  PHE   7           HE1      PHE   7  -6.209  -4.076  -1.331
   48    HE2  PHE   7           HE2      PHE   7  -4.335  -6.665  -4.159
   49    HZ   PHE   7           HZ       PHE   7  -4.285  -5.447  -2.013
   50    H    VAL   8           H        VAL   8  -9.624  -1.469  -5.890
   51    HA   VAL   8           HA       VAL   8 -10.619  -1.936  -8.531
   52    HB   VAL   8           HB       VAL   8  -9.436   0.625  -7.438
   53   1HG1  VAL   8          1HG1      VAL   8 -11.392   0.110  -9.672
   54   2HG1  VAL   8          2HG1      VAL   8  -9.715   0.625  -9.848
   55   3HG1  VAL   8          3HG1      VAL   8 -10.894   1.701  -9.096
   56   1HG2  VAL   8          1HG2      VAL   8 -11.166  -0.176  -5.927
   57   2HG2  VAL   8          2HG2      VAL   8 -12.275  -0.378  -7.285
   58   3HG2  VAL   8          3HG2      VAL   8 -11.736   1.235  -6.823
   59    H    MET   9           H        MET   9  -7.564  -0.954  -7.119
   60    HA   MET   9           HA       MET   9  -6.144  -2.288  -9.238
   61   1HB   MET   9          1HB       MET   9  -6.377   0.019 -10.125
   62   2HB   MET   9          2HB       MET   9  -5.553   0.610  -8.687
   63   1HG   MET   9          1HG       MET   9  -4.019   0.443 -10.549
   64   2HG   MET   9          2HG       MET   9  -3.591  -0.671  -9.254
   65   1HE   MET   9          1HE       MET   9  -1.982  -2.020 -10.909
   66   2HE   MET   9          2HE       MET   9  -2.400  -0.880 -12.187
   67   3HE   MET   9          3HE       MET   9  -2.507  -2.616 -12.486
   68    H    ARG  10           H        ARG  10  -4.332  -3.138  -8.522
   69    HA   ARG  10           HA       ARG  10  -3.692  -2.697  -5.701
   70   1HB   ARG  10          1HB       ARG  10  -2.605  -4.957  -5.866
   71   2HB   ARG  10          2HB       ARG  10  -4.344  -4.977  -6.116
   72   1HG   ARG  10          1HG       ARG  10  -3.969  -5.027  -8.543
   73   2HG   ARG  10          2HG       ARG  10  -2.233  -5.081  -8.253
   74   1HD   ARG  10          1HD       ARG  10  -2.447  -7.206  -7.128
   75   2HD   ARG  10          2HD       ARG  10  -4.204  -7.138  -7.273
   76    HE   ARG  10           HE       ARG  10  -3.663  -7.059  -9.794
   77   1HH1  ARG  10          1HH1      ARG  10  -2.001  -8.964  -7.390
   78   2HH1  ARG  10          2HH1      ARG  10  -1.363 -10.100  -8.538
   79   1HH2  ARG  10          1HH2      ARG  10  -2.866  -8.545 -11.307
   80   2HH2  ARG  10          2HH2      ARG  10  -1.858  -9.865 -10.774
   81    HA   PRO  11           HA       PRO  11   0.172  -1.052  -7.067
   82   1HB   PRO  11          1HB       PRO  11   1.541  -1.237  -4.713
   83   2HB   PRO  11          2HB       PRO  11   0.366   0.023  -5.055
   84   1HG   PRO  11          1HG       PRO  11   0.134  -2.350  -3.368
   85   2HG   PRO  11          2HG       PRO  11  -0.682  -0.790  -3.222
   86   1HD   PRO  11          1HD       PRO  11  -1.831  -3.141  -4.220
   87   2HD   PRO  11          2HD       PRO  11  -2.461  -1.498  -4.451
   88    H    GLN  12           H        GLN  12   2.370  -1.737  -7.401
   89    HA   GLN  12           HA       GLN  12   2.610  -4.659  -7.339
   90   1HB   GLN  12          1HB       GLN  12   3.517  -2.707  -9.457
   91   2HB   GLN  12          2HB       GLN  12   3.757  -4.448  -9.493
   92   1HG   GLN  12          1HG       GLN  12   1.064  -3.148  -9.319
   93   2HG   GLN  12          2HG       GLN  12   1.831  -3.605 -10.844
   94   1HE2  GLN  12          1HE2      GLN  12   0.483  -4.833  -7.821
   95   2HE2  GLN  12          2HE2      GLN  12   0.224  -6.445  -8.400
   96    H    ASP  13           H        ASP  13   5.111  -5.143  -7.994
   97    HA   ASP  13           HA       ASP  13   6.529  -4.407  -5.720
   98   1HB   ASP  13          1HB       ASP  13   8.254  -5.805  -6.897
   99   2HB   ASP  13          2HB       ASP  13   6.734  -6.605  -6.611
  100    H    GLY  14           H        GLY  14   8.956  -4.599  -7.275
  101   1HA   GLY  14          1HA       GLY  14   9.687  -2.695  -8.964
  102   2HA   GLY  14          2HA       GLY  14   9.413  -1.746  -7.516
  103    H    GLU  15           H        GLU  15  11.675  -2.733  -9.219
  104    HA   GLU  15           HA       GLU  15  13.483  -3.534  -7.047
  105   1HB   GLU  15          1HB       GLU  15  13.814  -3.846 -10.036
  106   2HB   GLU  15          2HB       GLU  15  15.047  -4.237  -8.846
  107   1HG   GLU  15          1HG       GLU  15  13.416  -5.868  -7.854
  108   2HG   GLU  15          2HG       GLU  15  12.401  -5.585  -9.271
  109    H    VAL  16           H        VAL  16  14.597  -1.822  -6.269
  110    HA   VAL  16           HA       VAL  16  15.277   0.310  -8.055
  111    HB   VAL  16           HB       VAL  16  14.434   1.941  -6.639
  112   1HG1  VAL  16          1HG1      VAL  16  12.378  -0.233  -6.592
  113   2HG1  VAL  16          2HG1      VAL  16  12.668   0.905  -7.909
  114   3HG1  VAL  16          3HG1      VAL  16  12.062   1.488  -6.358
  115   1HG2  VAL  16          1HG2      VAL  16  13.983  -0.140  -4.522
  116   2HG2  VAL  16          2HG2      VAL  16  13.512   1.555  -4.386
  117   3HG2  VAL  16          3HG2      VAL  16  15.218   1.119  -4.507
  118    H    THR  17           H        THR  17  16.832   1.639  -7.023
  119    HA   THR  17           HA       THR  17  18.793   0.081  -5.576
  120    HB   THR  17           HB       THR  17  19.669   2.708  -6.222
  121    HG1  THR  17           HG1      THR  17  19.128   2.960  -8.294
  122   1HG2  THR  17          1HG2      THR  17  20.367   0.027  -7.405
  123   2HG2  THR  17          2HG2      THR  17  21.151   0.798  -6.025
  124   3HG2  THR  17          3HG2      THR  17  21.300   1.505  -7.635
  125    H    VAL  18           H        VAL  18  19.597   0.815  -3.559
  126    HA   VAL  18           HA       VAL  18  17.941   2.422  -2.018
  127    HB   VAL  18           HB       VAL  18  19.062   1.009  -0.685
  128   1HG1  VAL  18          1HG1      VAL  18  20.714   0.213  -2.225
  129   2HG1  VAL  18          2HG1      VAL  18  21.473   0.611  -0.680
  130   3HG1  VAL  18          3HG1      VAL  18  21.631   1.708  -2.054
  131   1HG2  VAL  18          1HG2      VAL  18  20.628   3.562  -0.504
  132   2HG2  VAL  18          2HG2      VAL  18  20.602   2.309   0.737
  133   3HG2  VAL  18          3HG2      VAL  18  19.122   3.175   0.329
  134    H    GLY  19           H        GLY  19  17.619   4.173  -2.421
  135   1HA   GLY  19          1HA       GLY  19  18.527   6.471  -1.842
  136   2HA   GLY  19          2HA       GLY  19  19.747   6.111  -3.057
  137    H    GLY  20           H        GLY  20  16.997   4.684  -4.268
  138   1HA   GLY  20          1HA       GLY  20  16.457   7.045  -5.886
  139   2HA   GLY  20          2HA       GLY  20  15.897   5.422  -6.182
  140    H    SER  21           H        SER  21  14.007   5.218  -5.992
  141    HA   SER  21           HA       SER  21  12.568   5.918  -3.661
  142   1HB   SER  21          1HB       SER  21  12.216   7.901  -5.008
  143   2HB   SER  21          2HB       SER  21  11.670   6.930  -6.343
  144    HG   SER  21           HG       SER  21  10.031   7.946  -4.902
  145    H    ILE  22           H        ILE  22  10.405   5.068  -3.882
  146    HA   ILE  22           HA       ILE  22   9.833   3.248  -5.939
  147    HB   ILE  22           HB       ILE  22  10.928   1.877  -4.258
  148   1HG1  ILE  22          1HG1      ILE  22   9.167   0.161  -4.160
  149   2HG1  ILE  22          2HG1      ILE  22   8.009   1.356  -4.702
  150   1HG2  ILE  22          1HG2      ILE  22  10.276   3.008  -2.219
  151   2HG2  ILE  22          2HG2      ILE  22   9.795   1.312  -2.164
  152   3HG2  ILE  22          3HG2      ILE  22   8.595   2.558  -2.509
  153   1HD1  ILE  22          1HD1      ILE  22   9.273   1.593  -6.795
  154   2HD1  ILE  22          2HD1      ILE  22   8.682  -0.051  -6.540
  155   3HD1  ILE  22          3HD1      ILE  22  10.380   0.330  -6.250
  156    H    THR  23           H        THR  23   7.728   2.875  -5.999
  157    HA   THR  23           HA       THR  23   6.016   4.640  -4.472
  158    HB   THR  23           HB       THR  23   6.128   4.875  -7.457
  159    HG1  THR  23           HG1      THR  23   7.551   6.102  -5.472
  160   1HG2  THR  23          1HG2      THR  23   4.597   6.461  -5.392
  161   2HG2  THR  23          2HG2      THR  23   3.901   5.280  -6.504
  162   3HG2  THR  23          3HG2      THR  23   4.610   6.769  -7.132
  163    H    PHE  24           H        PHE  24   4.251   3.799  -4.040
  164    HA   PHE  24           HA       PHE  24   3.110   1.655  -5.698
  165   1HB   PHE  24          1HB       PHE  24   2.920   1.896  -2.691
  166   2HB   PHE  24          2HB       PHE  24   2.341   0.584  -3.690
  167    HD1  PHE  24           HD1      PHE  24   3.924  -0.972  -4.754
  168    HD2  PHE  24           HD2      PHE  24   5.191   2.027  -2.019
  169    HE1  PHE  24           HE1      PHE  24   6.062  -2.148  -4.457
  170    HE2  PHE  24           HE2      PHE  24   7.332   0.861  -1.722
  171    HZ   PHE  24           HZ       PHE  24   7.774  -1.231  -2.972
  172    H    SER  25           H        SER  25   0.947   1.720  -5.891
  173    HA   SER  25           HA       SER  25  -0.594   3.778  -4.569
  174   1HB   SER  25          1HB       SER  25  -1.559   3.484  -7.237
  175   2HB   SER  25          2HB       SER  25  -0.981   4.930  -6.422
  176    HG   SER  25           HG       SER  25   1.026   4.615  -7.217
  177    H    ALA  26           H        ALA  26  -2.231   2.951  -3.691
  178    HA   ALA  26           HA       ALA  26  -3.346   0.389  -4.626
  179   1HB   ALA  26          1HB       ALA  26  -3.956  -0.069  -2.292
  180   2HB   ALA  26          2HB       ALA  26  -3.287   1.491  -1.805
  181   3HB   ALA  26          3HB       ALA  26  -2.225   0.248  -2.418
  182    H    ARG  27           H        ARG  27  -5.311   0.582  -5.507
  183    HA   ARG  27           HA       ARG  27  -6.904   2.965  -4.855
  184   1HB   ARG  27          1HB       ARG  27  -6.974   1.080  -7.212
  185   2HB   ARG  27          2HB       ARG  27  -8.187   2.322  -6.936
  186   1HG   ARG  27          1HG       ARG  27  -6.461   4.039  -7.057
  187   2HG   ARG  27          2HG       ARG  27  -5.243   2.795  -7.344
  188   1HD   ARG  27          1HD       ARG  27  -6.230   2.187  -9.428
  189   2HD   ARG  27          2HD       ARG  27  -7.662   3.162  -9.106
  190    HE   ARG  27           HE       ARG  27  -5.420   4.846  -9.106
  191   1HH1  ARG  27          1HH1      ARG  27  -7.189   2.839 -11.399
  192   2HH1  ARG  27          2HH1      ARG  27  -6.911   3.923 -12.728
  193   1HH2  ARG  27          1HH2      ARG  27  -5.073   6.250 -10.882
  194   2HH2  ARG  27          2HH2      ARG  27  -5.712   5.829 -12.447
  195    H    VAL  28           H        VAL  28  -8.617   2.710  -3.531
  196    HA   VAL  28           HA       VAL  28  -9.841   0.068  -3.404
  197    HB   VAL  28           HB       VAL  28  -9.807   2.035  -1.132
  198   1HG1  VAL  28          1HG1      VAL  28 -10.419  -0.918  -1.179
  199   2HG1  VAL  28          2HG1      VAL  28 -11.641   0.351  -1.242
  200   3HG1  VAL  28          3HG1      VAL  28 -10.607   0.187   0.183
  201   1HG2  VAL  28          1HG2      VAL  28  -7.528   1.416  -1.527
  202   2HG2  VAL  28          2HG2      VAL  28  -7.964  -0.284  -1.683
  203   3HG2  VAL  28          3HG2      VAL  28  -8.101   0.520  -0.120
  204    H    ALA  29           H        ALA  29 -11.731   0.008  -3.973
  205    HA   ALA  29           HA       ALA  29 -13.374   2.062  -4.836
  206   1HB   ALA  29          1HB       ALA  29 -13.642  -0.240  -5.580
  207   2HB   ALA  29          2HB       ALA  29 -15.150   0.365  -4.891
  208   3HB   ALA  29          3HB       ALA  29 -14.123  -0.720  -3.950
  209    H    GLY  30           H        GLY  30 -13.953   3.629  -3.525
  210   1HA   GLY  30          1HA       GLY  30 -14.620   3.567  -0.832
  211   2HA   GLY  30          2HA       GLY  30 -15.303   4.700  -1.986
  212    H    ALA  31           H        ALA  31 -16.581   2.774  -3.620
  213    HA   ALA  31           HA       ALA  31 -18.446   1.521  -3.884
  214   1HB   ALA  31          1HB       ALA  31 -17.971   0.323  -1.213
  215   2HB   ALA  31          2HB       ALA  31 -16.766   0.135  -2.481
  216   3HB   ALA  31          3HB       ALA  31 -18.408  -0.473  -2.739
  217    H    SER  32           H        SER  32 -20.259   0.385  -2.212
  218    HA   SER  32           HA       SER  32 -21.508   2.606  -0.735
  219   1HB   SER  32          1HB       SER  32 -23.657   1.265  -1.240
  220   2HB   SER  32          2HB       SER  32 -22.915   2.132  -2.587
  221    HG   SER  32           HG       SER  32 -23.098  -0.613  -2.100
  222    H    LEU  33           H        LEU  33 -19.570   0.928   0.329
  223    HA   LEU  33           HA       LEU  33 -20.528  -1.307   1.711
  224   1HB   LEU  33          1HB       LEU  33 -18.459  -1.200   2.992
  225   2HB   LEU  33          2HB       LEU  33 -18.190  -1.013   1.280
  226    HG   LEU  33           HG       LEU  33 -17.257   0.608   3.423
  227   1HD1  LEU  33          1HD1      LEU  33 -16.037  -0.186   1.441
  228   2HD1  LEU  33          2HD1      LEU  33 -15.885   1.553   1.690
  229   3HD1  LEU  33          3HD1      LEU  33 -16.966   0.931   0.446
  230   1HD2  LEU  33          1HD2      LEU  33 -18.439   2.451   1.419
  231   2HD2  LEU  33          2HD2      LEU  33 -17.970   2.741   3.093
  232   3HD2  LEU  33          3HD2      LEU  33 -19.470   1.885   2.732
  233    H    LEU  34           H        LEU  34 -20.165  -1.411   4.218
  234    HA   LEU  34           HA       LEU  34 -22.262   0.079   5.422
  235   1HB   LEU  34          1HB       LEU  34 -21.495  -2.236   6.083
  236   2HB   LEU  34          2HB       LEU  34 -20.093  -1.481   6.824
  237    HG   LEU  34           HG       LEU  34 -21.771  -0.114   8.186
  238   1HD1  LEU  34          1HD1      LEU  34 -23.752  -0.574   6.882
  239   2HD1  LEU  34          2HD1      LEU  34 -23.957  -1.184   8.522
  240   3HD1  LEU  34          3HD1      LEU  34 -23.595  -2.302   7.207
  241   1HD2  LEU  34          1HD2      LEU  34 -21.572  -3.089   8.628
  242   2HD2  LEU  34          2HD2      LEU  34 -22.003  -1.891   9.848
  243   3HD2  LEU  34          3HD2      LEU  34 -20.389  -1.884   9.136
  244    H    LYS  35           H        LYS  35 -18.765   0.016   5.991
  245    HA   LYS  35           HA       LYS  35 -18.833   2.876   6.495
  246   1HB   LYS  35          1HB       LYS  35 -17.224   2.540   8.429
  247   2HB   LYS  35          2HB       LYS  35 -18.886   2.072   8.734
  248   1HG   LYS  35          1HG       LYS  35 -17.662   0.369   9.709
  249   2HG   LYS  35          2HG       LYS  35 -18.098  -0.310   8.140
  250   1HD   LYS  35          1HD       LYS  35 -15.922   0.100   7.268
  251   2HD   LYS  35          2HD       LYS  35 -15.477   1.079   8.666
  252   1HE   LYS  35          1HE       LYS  35 -16.143  -1.860   8.794
  253   2HE   LYS  35          2HE       LYS  35 -14.507  -1.223   8.665
  254   1HZ   LYS  35          1HZ       LYS  35 -14.974  -1.679  10.946
  255   2HZ   LYS  35          2HZ       LYS  35 -16.412  -0.786  10.901
  256   3HZ   LYS  35          3HZ       LYS  35 -14.918   0.005  10.758
  257    HA   PRO  36           HA       PRO  36 -15.437   3.356   3.796
  258   1HB   PRO  36          1HB       PRO  36 -13.964   4.433   6.170
  259   2HB   PRO  36          2HB       PRO  36 -14.070   5.082   4.528
  260   1HG   PRO  36          1HG       PRO  36 -15.545   6.127   6.473
  261   2HG   PRO  36          2HG       PRO  36 -16.229   5.901   4.850
  262   1HD   PRO  36          1HD       PRO  36 -16.726   4.372   7.351
  263   2HD   PRO  36          2HD       PRO  36 -17.811   4.682   5.982
  264    HA   PRO  37           HA       PRO  37 -13.212  -0.415   4.276
  265   1HB   PRO  37          1HB       PRO  37 -11.134   0.350   2.558
  266   2HB   PRO  37          2HB       PRO  37 -12.565  -0.593   2.148
  267   1HG   PRO  37          1HG       PRO  37 -11.959   2.212   1.576
  268   2HG   PRO  37          2HG       PRO  37 -13.163   1.156   0.818
  269   1HD   PRO  37          1HD       PRO  37 -13.724   3.224   2.554
  270   2HD   PRO  37          2HD       PRO  37 -14.805   1.864   2.196
  271    H    VAL  38           H        VAL  38 -11.709  -1.099   5.584
  272    HA   VAL  38           HA       VAL  38  -9.833   0.834   6.683
  273    HB   VAL  38           HB       VAL  38 -10.066  -1.891   7.782
  274   1HG1  VAL  38          1HG1      VAL  38  -8.353  -0.432   8.624
  275   2HG1  VAL  38          2HG1      VAL  38  -9.538  -0.751   9.891
  276   3HG1  VAL  38          3HG1      VAL  38  -9.557   0.790   9.031
  277   1HG2  VAL  38          1HG2      VAL  38 -11.862  -1.189   9.337
  278   2HG2  VAL  38          2HG2      VAL  38 -12.393  -1.289   7.659
  279   3HG2  VAL  38          3HG2      VAL  38 -12.058   0.284   8.385
  280    H    VAL  39           H        VAL  39  -8.254   0.793   5.513
  281    HA   VAL  39           HA       VAL  39  -7.149  -1.624   4.375
  282    HB   VAL  39           HB       VAL  39  -6.380   1.200   3.765
  283   1HG1  VAL  39          1HG1      VAL  39  -5.544   0.020   1.614
  284   2HG1  VAL  39          2HG1      VAL  39  -5.582  -1.425   2.628
  285   3HG1  VAL  39          3HG1      VAL  39  -4.587  -0.050   3.090
  286   1HG2  VAL  39          1HG2      VAL  39  -8.731   0.794   3.155
  287   2HG2  VAL  39          2HG2      VAL  39  -8.207  -0.553   2.143
  288   3HG2  VAL  39          3HG2      VAL  39  -7.708   1.093   1.752
  289    H    LYS  40           H        LYS  40  -5.746  -2.391   5.606
  290    HA   LYS  40           HA       LYS  40  -3.791  -0.719   6.876
  291   1HB   LYS  40          1HB       LYS  40  -3.076  -2.763   8.072
  292   2HB   LYS  40          2HB       LYS  40  -4.699  -2.255   8.450
  293   1HG   LYS  40          1HG       LYS  40  -5.047  -4.489   8.201
  294   2HG   LYS  40          2HG       LYS  40  -5.267  -3.977   6.531
  295   1HD   LYS  40          1HD       LYS  40  -3.826  -5.774   6.276
  296   2HD   LYS  40          2HD       LYS  40  -2.699  -4.419   6.327
  297   1HE   LYS  40          1HE       LYS  40  -1.854  -6.186   7.714
  298   2HE   LYS  40          2HE       LYS  40  -2.369  -4.854   8.746
  299   1HZ   LYS  40          1HZ       LYS  40  -3.028  -7.149   9.479
  300   2HZ   LYS  40          2HZ       LYS  40  -4.116  -7.181   8.171
  301   3HZ   LYS  40          3HZ       LYS  40  -4.281  -6.015   9.396
  302    H    TRP  41           H        TRP  41  -2.142  -0.415   6.036
  303    HA   TRP  41           HA       TRP  41  -1.074  -2.021   3.888
  304   1HB   TRP  41          1HB       TRP  41  -0.256   0.554   5.181
  305   2HB   TRP  41          2HB       TRP  41   0.751  -0.264   3.995
  306    HD1  TRP  41           HD1      TRP  41  -2.676   1.432   4.315
  307    HE1  TRP  41           HE1      TRP  41  -3.260   2.353   1.945
  308    HE3  TRP  41           HE3      TRP  41   1.118  -0.669   1.619
  309    HZ2  TRP  41           HZ2      TRP  41  -2.292   2.101  -0.690
  310    HZ3  TRP  41           HZ3      TRP  41   1.210  -0.300  -0.812
  311    HH2  TRP  41           HH2      TRP  41  -0.487   1.066  -1.929
  312    H    PHE  42           H        PHE  42   0.943  -2.844   3.872
  313    HA   PHE  42           HA       PHE  42   2.491  -2.851   6.338
  314   1HB   PHE  42          1HB       PHE  42   1.259  -5.131   5.886
  315   2HB   PHE  42          2HB       PHE  42   2.437  -5.292   4.590
  316    HD1  PHE  42           HD1      PHE  42   4.623  -6.016   5.014
  317    HD2  PHE  42           HD2      PHE  42   2.105  -4.850   8.240
  318    HE1  PHE  42           HE1      PHE  42   6.278  -6.886   6.620
  319    HE2  PHE  42           HE2      PHE  42   3.750  -5.718   9.846
  320    HZ   PHE  42           HZ       PHE  42   5.838  -6.739   9.038
  321    H    LYS  43           H        LYS  43   4.483  -2.230   5.867
  322    HA   LYS  43           HA       LYS  43   5.029  -1.834   3.021
  323   1HB   LYS  43          1HB       LYS  43   5.060   0.305   3.940
  324   2HB   LYS  43          2HB       LYS  43   5.763  -0.180   5.462
  325   1HG   LYS  43          1HG       LYS  43   7.856  -0.714   4.027
  326   2HG   LYS  43          2HG       LYS  43   7.065   0.285   2.811
  327   1HD   LYS  43          1HD       LYS  43   6.883   2.067   4.588
  328   2HD   LYS  43          2HD       LYS  43   7.992   1.078   5.549
  329   1HE   LYS  43          1HE       LYS  43   8.465   2.353   2.875
  330   2HE   LYS  43          2HE       LYS  43   9.349   2.622   4.379
  331   1HZ   LYS  43          1HZ       LYS  43  10.671   1.249   2.981
  332   2HZ   LYS  43          2HZ       LYS  43   9.386   0.197   2.664
  333   3HZ   LYS  43          3HZ       LYS  43  10.074   0.252   4.212
  334    H    GLY  44           H        GLY  44   7.353  -2.150   2.500
  335   1HA   GLY  44          1HA       GLY  44   8.554  -4.199   2.203
  336   2HA   GLY  44          2HA       GLY  44   9.547  -3.069   3.062
  337    H    LYS  45           H        LYS  45  10.790  -4.947   3.704
  338    HA   LYS  45           HA       LYS  45   9.945  -7.379   4.476
  339   1HB   LYS  45          1HB       LYS  45  12.328  -5.791   4.957
  340   2HB   LYS  45          2HB       LYS  45  12.072  -7.017   6.184
  341   1HG   LYS  45          1HG       LYS  45  12.002  -8.736   4.454
  342   2HG   LYS  45          2HG       LYS  45  12.250  -7.502   3.216
  343   1HD   LYS  45          1HD       LYS  45  14.354  -8.622   3.770
  344   2HD   LYS  45          2HD       LYS  45  14.402  -6.916   4.219
  345   1HE   LYS  45          1HE       LYS  45  15.372  -8.148   6.013
  346   2HE   LYS  45          2HE       LYS  45  13.784  -7.593   6.545
  347   1HZ   LYS  45          1HZ       LYS  45  14.558 -10.324   5.691
  348   2HZ   LYS  45          2HZ       LYS  45  12.941  -9.846   5.886
  349   3HZ   LYS  45          3HZ       LYS  45  13.994  -9.836   7.214
  350    H    TRP  46           H        TRP  46   9.409  -4.610   6.564
  351    HA   TRP  46           HA       TRP  46   8.154  -6.302   8.514
  352   1HB   TRP  46          1HB       TRP  46   9.633  -5.361  10.315
  353   2HB   TRP  46          2HB       TRP  46  10.305  -6.645   9.330
  354    HD1  TRP  46           HD1      TRP  46  12.250  -5.943   7.612
  355    HE1  TRP  46           HE1      TRP  46  13.794  -3.903   7.514
  356    HE3  TRP  46           HE3      TRP  46   9.772  -2.928  10.893
  357    HZ2  TRP  46           HZ2      TRP  46  13.935  -1.322   8.694
  358    HZ3  TRP  46           HZ3      TRP  46  10.663  -0.695  11.360
  359    HH2  TRP  46           HH2      TRP  46  12.694   0.096  10.285
  360    H    VAL  47           H        VAL  47   8.065  -3.488   7.020
  361    HA   VAL  47           HA       VAL  47   8.057  -1.721   9.250
  362    HB   VAL  47           HB       VAL  47   7.538  -0.322   6.871
  363   1HG1  VAL  47          1HG1      VAL  47   9.615   0.793   7.468
  364   2HG1  VAL  47          2HG1      VAL  47  10.027  -0.549   8.535
  365   3HG1  VAL  47          3HG1      VAL  47   8.646   0.479   8.908
  366   1HG2  VAL  47          1HG2      VAL  47   9.831  -2.261   6.667
  367   2HG2  VAL  47          2HG2      VAL  47   9.661  -0.825   5.659
  368   3HG2  VAL  47          3HG2      VAL  47   8.458  -2.110   5.570
  369    H    ASP  48           H        ASP  48   6.389  -1.359  10.142
  370    HA   ASP  48           HA       ASP  48   3.763  -1.511   9.025
  371   1HB   ASP  48          1HB       ASP  48   3.368  -0.441  11.377
  372   2HB   ASP  48          2HB       ASP  48   3.612  -2.160  11.186
  373    H    LEU  49           H        LEU  49   3.384   0.101   7.648
  374    HA   LEU  49           HA       LEU  49   4.515   2.595   7.562
  375   1HB   LEU  49          1HB       LEU  49   1.756   1.817   6.637
  376   2HB   LEU  49          2HB       LEU  49   2.557   3.316   6.220
  377    HG   LEU  49           HG       LEU  49   4.391   1.510   5.360
  378   1HD1  LEU  49          1HD1      LEU  49   2.776  -0.330   5.891
  379   2HD1  LEU  49          2HD1      LEU  49   3.329  -0.242   4.216
  380   3HD1  LEU  49          3HD1      LEU  49   1.723   0.349   4.643
  381   1HD2  LEU  49          1HD2      LEU  49   2.017   2.443   3.793
  382   2HD2  LEU  49          2HD2      LEU  49   3.582   1.944   3.153
  383   3HD2  LEU  49          3HD2      LEU  49   3.453   3.415   4.123
  384    H    SER  50           H        SER  50   1.850   1.638   9.588
  385    HA   SER  50           HA       SER  50   0.539   4.092   9.756
  386   1HB   SER  50          1HB       SER  50  -0.427   1.863  10.389
  387   2HB   SER  50          2HB       SER  50   0.598   1.875  11.823
  388    HG   SER  50           HG       SER  50  -0.586   4.152  11.946
  389    H    SER  51           H        SER  51   3.419   2.829  11.153
  390    HA   SER  51           HA       SER  51   3.421   4.983  13.018
  391   1HB   SER  51          1HB       SER  51   4.894   2.411  12.906
  392   2HB   SER  51          2HB       SER  51   5.538   3.740  13.855
  393    HG   SER  51           HG       SER  51   3.054   3.669  14.527
  394    H    LYS  52           H        LYS  52   4.923   3.954  10.146
  395    HA   LYS  52           HA       LYS  52   7.299   5.538  10.500
  396   1HB   LYS  52          1HB       LYS  52   6.826   4.219   7.917
  397   2HB   LYS  52          2HB       LYS  52   8.251   4.225   8.931
  398   1HG   LYS  52          1HG       LYS  52   5.835   2.477   9.188
  399   2HG   LYS  52          2HG       LYS  52   7.457   1.996   8.715
  400   1HD   LYS  52          1HD       LYS  52   6.824   3.152  11.424
  401   2HD   LYS  52          2HD       LYS  52   6.769   1.417  11.088
  402   1HE   LYS  52          1HE       LYS  52   9.117   1.428  10.509
  403   2HE   LYS  52          2HE       LYS  52   9.187   3.183  10.666
  404   1HZ   LYS  52          1HZ       LYS  52   8.864   3.035  12.992
  405   2HZ   LYS  52          2HZ       LYS  52  10.058   1.895  12.610
  406   3HZ   LYS  52          3HZ       LYS  52   8.469   1.388  12.920
  407    H    VAL  53           H        VAL  53   4.660   5.267   8.310
  408    HA   VAL  53           HA       VAL  53   4.717   6.857   6.332
  409    HB   VAL  53           HB       VAL  53   2.514   6.710   8.358
  410   1HG1  VAL  53          1HG1      VAL  53   2.541   8.174   5.731
  411   2HG1  VAL  53          2HG1      VAL  53   1.939   8.742   7.292
  412   3HG1  VAL  53          3HG1      VAL  53   1.061   7.484   6.401
  413   1HG2  VAL  53          1HG2      VAL  53   2.888   5.572   5.608
  414   2HG2  VAL  53          2HG2      VAL  53   1.508   5.299   6.671
  415   3HG2  VAL  53          3HG2      VAL  53   3.104   4.704   7.129
  416    H    GLY  54           H        GLY  54   6.099   8.287   6.250
  417   1HA   GLY  54          1HA       GLY  54   5.425  10.965   7.053
  418   2HA   GLY  54          2HA       GLY  54   6.757  10.328   8.001
  419    H    GLN  55           H        GLN  55   8.672  10.923   7.286
  420    HA   GLN  55           HA       GLN  55   8.952  12.588   5.075
  421   1HB   GLN  55          1HB       GLN  55  10.452  12.643   7.009
  422   2HB   GLN  55          2HB       GLN  55  11.113  11.081   6.553
  423   1HG   GLN  55          1HG       GLN  55  11.841  12.135   4.394
  424   2HG   GLN  55          2HG       GLN  55  11.382  13.689   5.088
  425   1HE2  GLN  55          1HE2      GLN  55  13.661  11.078   5.153
  426   2HE2  GLN  55          2HE2      GLN  55  14.816  11.844   6.185
  427    H    HIS  56           H        HIS  56  10.084   9.209   5.378
  428    HA   HIS  56           HA       HIS  56  11.031   9.326   2.636
  429   1HB   HIS  56          1HB       HIS  56  11.997   7.119   3.064
  430   2HB   HIS  56          2HB       HIS  56  12.461   8.284   4.293
  431    HD1  HIS  56           HD1      HIS  56  10.571   5.135   3.798
  432    HD2  HIS  56           HD2      HIS  56  11.429   7.800   6.855
  433    HE1  HIS  56           HE1      HIS  56   9.852   3.985   5.913
  434    HE2  HIS  56           HE2      HIS  56  10.659   5.507   7.751
  435    H    LEU  57           H        LEU  57   8.594   7.602   4.429
  436    HA   LEU  57           HA       LEU  57   7.348   6.947   1.929
  437   1HB   LEU  57          1HB       LEU  57   7.676   4.845   2.416
  438   2HB   LEU  57          2HB       LEU  57   8.094   5.180   4.012
  439    HG   LEU  57           HG       LEU  57   6.230   3.496   3.644
  440   1HD1  LEU  57          1HD1      LEU  57   4.871   4.465   5.556
  441   2HD1  LEU  57          2HD1      LEU  57   6.030   5.798   5.530
  442   3HD1  LEU  57          3HD1      LEU  57   6.585   4.155   5.826
  443   1HD2  LEU  57          1HD2      LEU  57   4.670   6.023   3.105
  444   2HD2  LEU  57          2HD2      LEU  57   3.975   4.429   3.406
  445   3HD2  LEU  57          3HD2      LEU  57   4.969   4.702   1.974
  446    H    GLN  58           H        GLN  58   5.870   8.448   1.779
  447    HA   GLN  58           HA       GLN  58   4.068   8.954   3.950
  448   1HB   GLN  58          1HB       GLN  58   3.891   9.957   1.097
  449   2HB   GLN  58          2HB       GLN  58   3.065  10.602   2.504
  450   1HG   GLN  58          1HG       GLN  58   4.695  12.141   2.198
  451   2HG   GLN  58          2HG       GLN  58   5.487  11.081   3.343
  452   1HE2  GLN  58          1HE2      GLN  58   7.270   9.969   2.710
  453   2HE2  GLN  58          2HE2      GLN  58   8.050  10.183   1.178
  454    H    LEU  59           H        LEU  59   2.665   7.462   4.186
  455    HA   LEU  59           HA       LEU  59   1.428   6.096   1.941
  456   1HB   LEU  59          1HB       LEU  59   2.139   4.877   4.110
  457   2HB   LEU  59          2HB       LEU  59   0.853   5.743   4.906
  458    HG   LEU  59           HG       LEU  59   0.659   3.484   2.927
  459   1HD1  LEU  59          1HD1      LEU  59  -0.106   4.104   5.741
  460   2HD1  LEU  59          2HD1      LEU  59   0.810   2.725   5.083
  461   3HD1  LEU  59          3HD1      LEU  59  -0.944   2.830   4.838
  462   1HD2  LEU  59          1HD2      LEU  59  -1.596   5.340   3.716
  463   2HD2  LEU  59          2HD2      LEU  59  -1.754   3.828   2.820
  464   3HD2  LEU  59          3HD2      LEU  59  -0.887   5.193   2.103
  465    H    HIS  60           H        HIS  60   0.363   7.730   1.049
  466    HA   HIS  60           HA       HIS  60  -1.462   9.315   2.592
  467   1HB   HIS  60          1HB       HIS  60   0.038   9.774   0.106
  468   2HB   HIS  60          2HB       HIS  60  -1.588  10.414   0.142
  469    HD1  HIS  60           HD1      HIS  60  -0.946  12.849   0.269
  470    HD2  HIS  60           HD2      HIS  60   0.742  10.560   3.302
  471    HE1  HIS  60           HE1      HIS  60   0.073  14.494   1.873
  472    HE2  HIS  60           HE2      HIS  60   0.777  13.094   3.838
  473    H    ASP  61           H        ASP  61  -3.284   9.918   1.393
  474    HA   ASP  61           HA       ASP  61  -4.614   7.815  -0.015
  475   1HB   ASP  61          1HB       ASP  61  -6.636   8.435   1.490
  476   2HB   ASP  61          2HB       ASP  61  -5.486   7.208   1.957
  477    H    SER  62           H        SER  62  -5.496   8.501  -1.513
  478    HA   SER  62           HA       SER  62  -6.357  11.266  -1.854
  479   1HB   SER  62          1HB       SER  62  -6.679   9.214  -3.993
  480   2HB   SER  62          2HB       SER  62  -6.401  10.941  -4.153
  481    HG   SER  62           HG       SER  62  -4.452   9.142  -3.132
  482    H    TYR  63           H        TYR  63  -8.524  11.706  -2.449
  483    HA   TYR  63           HA       TYR  63 -10.349   9.584  -1.732
  484   1HB   TYR  63          1HB       TYR  63  -9.825  10.767   0.283
  485   2HB   TYR  63          2HB       TYR  63 -10.323  12.291  -0.415
  486    HD1  TYR  63           HD1      TYR  63 -11.863  12.630   1.480
  487    HD2  TYR  63           HD2      TYR  63 -12.249   9.282  -1.110
  488    HE1  TYR  63           HE1      TYR  63 -14.148  12.268   2.296
  489    HE2  TYR  63           HE2      TYR  63 -14.537   8.904  -0.296
  490    HH   TYR  63           HH       TYR  63 -15.877   9.431   1.749
  491    H    ASP  64           H        ASP  64 -11.113   9.407  -3.637
  492    HA   ASP  64           HA       ASP  64 -12.662  11.653  -4.695
  493   1HB   ASP  64          1HB       ASP  64 -11.474   9.226  -5.926
  494   2HB   ASP  64          2HB       ASP  64 -12.705  10.136  -6.725
  495    H    ARG  65           H        ARG  65 -14.549  11.454  -3.840
  496    HA   ARG  65           HA       ARG  65 -15.741   8.912  -3.200
  497   1HB   ARG  65          1HB       ARG  65 -15.969  11.549  -2.242
  498   2HB   ARG  65          2HB       ARG  65 -17.543  11.133  -2.918
  499   1HG   ARG  65          1HG       ARG  65 -16.022   9.471  -0.945
  500   2HG   ARG  65          2HG       ARG  65 -17.344  10.573  -0.542
  501   1HD   ARG  65          1HD       ARG  65 -17.692   8.444  -2.608
  502   2HD   ARG  65          2HD       ARG  65 -17.864   8.036  -0.892
  503    HE   ARG  65           HE       ARG  65 -19.841   9.153  -2.478
  504   1HH1  ARG  65          1HH1      ARG  65 -18.311  10.135   0.543
  505   2HH1  ARG  65          2HH1      ARG  65 -19.742  10.900   1.154
  506   1HH2  ARG  65          1HH2      ARG  65 -21.733  10.072  -1.606
  507   2HH2  ARG  65          2HH2      ARG  65 -21.689  10.820  -0.032
  508    H    ALA  66           H        ALA  66 -16.294  11.581  -5.330
  509    HA   ALA  66           HA       ALA  66 -18.529  10.528  -6.694
  510   1HB   ALA  66          1HB       ALA  66 -18.078  12.285  -8.363
  511   2HB   ALA  66          2HB       ALA  66 -16.556  12.640  -7.540
  512   3HB   ALA  66          3HB       ALA  66 -18.090  12.900  -6.712
  513    H    SER  67           H        SER  67 -15.159   9.983  -6.921
  514    HA   SER  67           HA       SER  67 -15.466   8.582  -9.472
  515   1HB   SER  67          1HB       SER  67 -13.501  10.096  -9.244
  516   2HB   SER  67          2HB       SER  67 -12.950   9.143  -7.868
  517    HG   SER  67           HG       SER  67 -13.095   7.316  -9.494
  518    H    LYS  68           H        LYS  68 -15.362   8.271  -6.136
  519    HA   LYS  68           HA       LYS  68 -15.852   6.547  -4.769
  520   1HB   LYS  68          1HB       LYS  68 -17.365   5.987  -6.725
  521   2HB   LYS  68          2HB       LYS  68 -16.121   4.866  -7.244
  522   1HG   LYS  68          1HG       LYS  68 -17.650   3.551  -6.107
  523   2HG   LYS  68          2HG       LYS  68 -16.351   3.814  -4.948
  524   1HD   LYS  68          1HD       LYS  68 -18.796   5.551  -5.002
  525   2HD   LYS  68          2HD       LYS  68 -18.759   4.022  -4.122
  526   1HE   LYS  68          1HE       LYS  68 -16.692   4.903  -2.931
  527   2HE   LYS  68          2HE       LYS  68 -17.073   6.482  -3.636
  528   1HZ   LYS  68          1HZ       LYS  68 -19.199   6.451  -2.509
  529   2HZ   LYS  68          2HZ       LYS  68 -17.969   6.199  -1.379
  530   3HZ   LYS  68          3HZ       LYS  68 -18.907   4.897  -1.913
  531    H    VAL  69           H        VAL  69 -13.122   7.125  -5.654
  532    HA   VAL  69           HA       VAL  69 -11.930   4.514  -5.070
  533    HB   VAL  69           HB       VAL  69 -10.458   6.521  -6.709
  534   1HG1  VAL  69          1HG1      VAL  69  -9.226   4.545  -7.464
  535   2HG1  VAL  69          2HG1      VAL  69 -10.260   3.530  -6.459
  536   3HG1  VAL  69          3HG1      VAL  69  -9.199   4.725  -5.709
  537   1HG2  VAL  69          1HG2      VAL  69 -12.493   6.125  -7.992
  538   2HG2  VAL  69          2HG2      VAL  69 -12.260   4.382  -7.850
  539   3HG2  VAL  69          3HG2      VAL  69 -11.114   5.353  -8.774
  540    H    TYR  70           H        TYR  70 -10.818   4.624  -3.318
  541    HA   TYR  70           HA       TYR  70  -9.613   7.142  -2.498
  542   1HB   TYR  70          1HB       TYR  70  -9.671   4.666  -0.822
  543   2HB   TYR  70          2HB       TYR  70  -9.430   6.314  -0.300
  544    HD1  TYR  70           HD1      TYR  70 -11.354   4.417   1.004
  545    HD2  TYR  70           HD2      TYR  70 -11.905   7.206  -2.158
  546    HE1  TYR  70           HE1      TYR  70 -13.736   4.619   1.597
  547    HE2  TYR  70           HE2      TYR  70 -14.275   7.411  -1.578
  548    HH   TYR  70           HH       TYR  70 -15.588   6.202   1.320
  549    H    LEU  71           H        LEU  71  -7.687   7.285  -3.252
  550    HA   LEU  71           HA       LEU  71  -6.167   4.899  -3.862
  551   1HB   LEU  71          1HB       LEU  71  -6.248   6.430  -5.718
  552   2HB   LEU  71          2HB       LEU  71  -5.720   7.761  -4.698
  553    HG   LEU  71           HG       LEU  71  -3.593   6.451  -4.292
  554   1HD1  LEU  71          1HD1      LEU  71  -2.979   4.792  -5.987
  555   2HD1  LEU  71          2HD1      LEU  71  -4.633   4.836  -6.602
  556   3HD1  LEU  71          3HD1      LEU  71  -4.317   4.270  -4.961
  557   1HD2  LEU  71          1HD2      LEU  71  -4.125   7.356  -7.112
  558   2HD2  LEU  71          2HD2      LEU  71  -2.544   7.165  -6.348
  559   3HD2  LEU  71          3HD2      LEU  71  -3.668   8.387  -5.756
  560    H    PHE  72           H        PHE  72  -5.256   4.275  -2.126
  561    HA   PHE  72           HA       PHE  72  -3.785   6.040  -0.425
  562   1HB   PHE  72          1HB       PHE  72  -4.046   3.075  -0.575
  563   2HB   PHE  72          2HB       PHE  72  -3.073   3.878   0.641
  564    HD1  PHE  72           HD1      PHE  72  -6.481   3.210  -0.549
  565    HD2  PHE  72           HD2      PHE  72  -4.102   4.960   2.514
  566    HE1  PHE  72           HE1      PHE  72  -8.473   3.399   0.881
  567    HE2  PHE  72           HE2      PHE  72  -6.089   5.149   3.950
  568    HZ   PHE  72           HZ       PHE  72  -8.279   4.369   3.134
  569    H    GLU  73           H        GLU  73  -1.979   6.700  -1.009
  570    HA   GLU  73           HA       GLU  73  -0.414   5.282  -3.023
  571   1HB   GLU  73          1HB       GLU  73   0.452   7.603  -3.643
  572   2HB   GLU  73          2HB       GLU  73  -1.162   7.157  -4.168
  573   1HG   GLU  73          1HG       GLU  73  -2.180   8.521  -2.524
  574   2HG   GLU  73          2HG       GLU  73  -0.660   8.733  -1.660
  575    H    LEU  74           H        LEU  74   1.453   4.763  -2.492
  576    HA   LEU  74           HA       LEU  74   2.669   5.778  -0.076
  577   1HB   LEU  74          1HB       LEU  74   3.647   3.647  -1.960
  578   2HB   LEU  74          2HB       LEU  74   4.404   4.058  -0.438
  579    HG   LEU  74           HG       LEU  74   2.234   2.248  -1.022
  580   1HD1  LEU  74          1HD1      LEU  74   3.921   2.758   1.386
  581   2HD1  LEU  74          2HD1      LEU  74   4.196   1.561   0.120
  582   3HD1  LEU  74          3HD1      LEU  74   2.815   1.394   1.207
  583   1HD2  LEU  74          1HD2      LEU  74   0.778   4.039  -0.251
  584   2HD2  LEU  74          2HD2      LEU  74   1.751   4.203   1.214
  585   3HD2  LEU  74          3HD2      LEU  74   0.833   2.725   0.928
  586    H    HIS  75           H        HIS  75   4.187   7.119  -0.166
  587    HA   HIS  75           HA       HIS  75   5.730   7.308  -2.663
  588   1HB   HIS  75          1HB       HIS  75   5.166   9.568  -0.712
  589   2HB   HIS  75          2HB       HIS  75   6.296   9.660  -2.061
  590    HD1  HIS  75           HD1      HIS  75   5.351  10.178  -4.347
  591    HD2  HIS  75           HD2      HIS  75   2.420   9.407  -1.497
  592    HE1  HIS  75           HE1      HIS  75   3.172  10.825  -5.422
  593    HE2  HIS  75           HE2      HIS  75   1.429  10.483  -3.625
  594    H    ILE  76           H        ILE  76   7.201   5.908  -2.116
  595    HA   ILE  76           HA       ILE  76   8.513   6.319   0.482
  596    HB   ILE  76           HB       ILE  76   8.207   3.744  -0.990
  597   1HG1  ILE  76          1HG1      ILE  76   6.648   4.809   1.356
  598   2HG1  ILE  76          2HG1      ILE  76   6.008   4.283  -0.229
  599   1HG2  ILE  76          1HG2      ILE  76   9.083   2.705   1.024
  600   2HG2  ILE  76          2HG2      ILE  76   9.196   4.284   1.794
  601   3HG2  ILE  76          3HG2      ILE  76  10.222   3.905   0.407
  602   1HD1  ILE  76          1HD1      ILE  76   6.679   2.004   0.257
  603   2HD1  ILE  76          2HD1      ILE  76   5.590   2.637   1.492
  604   3HD1  ILE  76          3HD1      ILE  76   7.318   2.514   1.819
  605    H    THR  77           H        THR  77  10.207   7.356  -0.137
  606    HA   THR  77           HA       THR  77  11.603   6.603  -2.489
  607    HB   THR  77           HB       THR  77  12.731   8.749  -2.298
  608    HG1  THR  77           HG1      THR  77  12.700   9.172  -0.105
  609   1HG2  THR  77          1HG2      THR  77   9.756   9.061  -2.049
  610   2HG2  THR  77          2HG2      THR  77  10.566   8.422  -3.483
  611   3HG2  THR  77          3HG2      THR  77  10.868  10.088  -2.958
  612    H    ASP  78           H        ASP  78  13.720   6.875  -2.423
  613    HA   ASP  78           HA       ASP  78  15.621   5.738  -1.994
  614   1HB   ASP  78          1HB       ASP  78  16.896   6.861  -0.273
  615   2HB   ASP  78          2HB       ASP  78  16.196   7.899  -1.480
  616    H    ALA  79           H        ALA  79  14.661   3.943  -1.659
  617    HA   ALA  79           HA       ALA  79  13.989   2.747   0.795
  618   1HB   ALA  79          1HB       ALA  79  14.074   0.626  -0.451
  619   2HB   ALA  79          2HB       ALA  79  14.824   1.469  -1.807
  620   3HB   ALA  79          3HB       ALA  79  13.175   1.867  -1.328
  621    H    GLN  80           H        GLN  80  15.489   2.772   2.359
  622    HA   GLN  80           HA       GLN  80  18.241   2.392   2.095
  623   1HB   GLN  80          1HB       GLN  80  18.115   2.805   4.298
  624   2HB   GLN  80          2HB       GLN  80  16.364   2.794   4.145
  625   1HG   GLN  80          1HG       GLN  80  16.320   1.117   5.584
  626   2HG   GLN  80          2HG       GLN  80  17.104   0.105   4.369
  627   1HE2  GLN  80          1HE2      GLN  80  19.266  -0.371   4.572
  628   2HE2  GLN  80          2HE2      GLN  80  20.193   0.010   5.987
  629    HA   PRO  81           HA       PRO  81  18.553  -1.774   0.829
  630   1HB   PRO  81          1HB       PRO  81  20.828  -2.621   2.120
  631   2HB   PRO  81          2HB       PRO  81  20.835  -1.604   0.674
  632   1HG   PRO  81          1HG       PRO  81  21.151  -0.822   3.543
  633   2HG   PRO  81          2HG       PRO  81  22.012  -0.224   2.112
  634   1HD   PRO  81          1HD       PRO  81  20.005   1.172   3.262
  635   2HD   PRO  81          2HD       PRO  81  20.294   1.197   1.510
  636    H    ALA  82           H        ALA  82  18.144  -3.888   1.482
  637    HA   ALA  82           HA       ALA  82  17.208  -5.519   2.731
  638   1HB   ALA  82          1HB       ALA  82  19.169  -5.272   4.197
  639   2HB   ALA  82          2HB       ALA  82  17.717  -5.717   5.093
  640   3HB   ALA  82          3HB       ALA  82  18.300  -4.054   5.133
  641    H    PHE  83           H        PHE  83  16.007  -2.632   2.332
  642    HA   PHE  83           HA       PHE  83  13.842  -2.744   4.250
  643   1HB   PHE  83          1HB       PHE  83  14.850  -0.807   2.463
  644   2HB   PHE  83          2HB       PHE  83  13.262  -1.216   1.849
  645    HD1  PHE  83           HD1      PHE  83  12.785  -1.674   5.229
  646    HD2  PHE  83           HD2      PHE  83  13.590   1.444   2.434
  647    HE1  PHE  83           HE1      PHE  83  11.820  -0.039   6.774
  648    HE2  PHE  83           HE2      PHE  83  12.606   3.081   3.980
  649    HZ   PHE  83           HZ       PHE  83  11.730   2.342   6.153
  650    H    THR  84           H        THR  84  14.795  -4.411   1.624
  651    HA   THR  84           HA       THR  84  13.381  -4.990  -0.311
  652    HB   THR  84           HB       THR  84  13.799  -7.146   1.720
  653    HG1  THR  84           HG1      THR  84  15.848  -7.345   0.545
  654   1HG2  THR  84          1HG2      THR  84  13.528  -7.172  -1.296
  655   2HG2  THR  84          2HG2      THR  84  12.466  -7.950  -0.118
  656   3HG2  THR  84          3HG2      THR  84  14.108  -8.548  -0.353
  657    H    GLY  85           H        GLY  85  11.571  -4.213  -0.419
  658   1HA   GLY  85          1HA       GLY  85   9.482  -4.087   1.256
  659   2HA   GLY  85          2HA       GLY  85   9.345  -3.970  -0.480
  660    H    GLY  86           H        GLY  86   8.773  -5.750   2.205
  661   1HA   GLY  86          1HA       GLY  86   7.069  -7.367   0.493
  662   2HA   GLY  86          2HA       GLY  86   7.380  -7.718   2.190
  663    H    TYR  87           H        TYR  87   6.084  -5.317   0.065
  664    HA   TYR  87           HA       TYR  87   4.439  -4.082   2.060
  665   1HB   TYR  87          1HB       TYR  87   4.463  -3.845  -0.962
  666   2HB   TYR  87          2HB       TYR  87   3.536  -2.823   0.131
  667    HD1  TYR  87           HD1      TYR  87   7.008  -3.822  -0.753
  668    HD2  TYR  87           HD2      TYR  87   4.498  -0.923   1.083
  669    HE1  TYR  87           HE1      TYR  87   8.931  -2.302  -0.535
  670    HE2  TYR  87           HE2      TYR  87   6.412   0.585   1.309
  671    HH   TYR  87           HH       TYR  87   9.302   0.186  -0.294
  672    H    ARG  88           H        ARG  88   2.558  -4.946   2.733
  673    HA   ARG  88           HA       ARG  88   1.087  -6.714   0.878
  674   1HB   ARG  88          1HB       ARG  88   1.000  -7.037   3.878
  675   2HB   ARG  88          2HB       ARG  88   0.570  -8.202   2.634
  676   1HG   ARG  88          1HG       ARG  88   2.930  -8.474   2.069
  677   2HG   ARG  88          2HG       ARG  88   3.357  -7.298   3.313
  678   1HD   ARG  88          1HD       ARG  88   2.082  -8.839   4.920
  679   2HD   ARG  88          2HD       ARG  88   2.210 -10.048   3.645
  680    HE   ARG  88           HE       ARG  88   4.753  -8.926   4.177
  681   1HH1  ARG  88          1HH1      ARG  88   2.401 -11.197   5.436
  682   2HH1  ARG  88          2HH1      ARG  88   3.554 -12.020   6.456
  683   1HH2  ARG  88          1HH2      ARG  88   6.278 -10.027   5.466
  684   2HH2  ARG  88          2HH2      ARG  88   5.769 -11.364   6.454
  685    H    CYS  89           H        CYS  89  -0.516  -5.424   0.249
  686    HA   CYS  89           HA       CYS  89  -1.752  -3.672   2.220
  687   1HB   CYS  89          1HB       CYS  89  -1.211  -3.148  -0.320
  688   2HB   CYS  89          2HB       CYS  89  -2.799  -3.861  -0.561
  689    HG   CYS  89           HG       CYS  89  -1.956  -1.001   1.046
  690    H    GLU  90           H        GLU  90  -3.582  -4.089   3.181
  691    HA   GLU  90           HA       GLU  90  -5.180  -6.353   2.243
  692   1HB   GLU  90          1HB       GLU  90  -3.632  -7.269   3.868
  693   2HB   GLU  90          2HB       GLU  90  -4.028  -6.006   5.020
  694   1HG   GLU  90          1HG       GLU  90  -6.308  -6.900   5.179
  695   2HG   GLU  90          2HG       GLU  90  -5.857  -8.191   4.064
  696    H    VAL  91           H        VAL  91  -7.107  -5.398   1.878
  697    HA   VAL  91           HA       VAL  91  -7.969  -3.274   3.705
  698    HB   VAL  91           HB       VAL  91  -9.302  -4.083   1.131
  699   1HG1  VAL  91          1HG1      VAL  91 -10.220  -1.762   1.256
  700   2HG1  VAL  91          2HG1      VAL  91  -9.578  -1.672   2.896
  701   3HG1  VAL  91          3HG1      VAL  91 -10.809  -2.868   2.497
  702   1HG2  VAL  91          1HG2      VAL  91  -7.195  -1.993   1.577
  703   2HG2  VAL  91          2HG2      VAL  91  -8.157  -2.142   0.113
  704   3HG2  VAL  91          3HG2      VAL  91  -7.057  -3.437   0.582
  705    H    SER  92           H        SER  92  -9.845  -3.383   4.833
  706    HA   SER  92           HA       SER  92 -11.323  -5.916   4.729
  707   1HB   SER  92          1HB       SER  92 -10.420  -4.522   7.260
  708   2HB   SER  92          2HB       SER  92 -11.382  -5.995   7.175
  709    HG   SER  92           HG       SER  92  -8.985  -6.042   5.787
  710    H    THR  93           H        THR  93 -13.217  -5.253   3.996
  711    HA   THR  93           HA       THR  93 -14.546  -3.078   5.454
  712    HB   THR  93           HB       THR  93 -15.281  -3.474   2.647
  713    HG1  THR  93           HG1      THR  93 -12.757  -3.286   3.131
  714   1HG2  THR  93          1HG2      THR  93 -15.277  -0.959   2.797
  715   2HG2  THR  93          2HG2      THR  93 -14.894  -1.156   4.504
  716   3HG2  THR  93          3HG2      THR  93 -16.409  -1.798   3.857
  717    H    LYS  94           H        LYS  94 -16.781  -3.316   5.607
  718    HA   LYS  94           HA       LYS  94 -18.625  -4.657   6.048
  719   1HB   LYS  94          1HB       LYS  94 -19.654  -5.087   3.663
  720   2HB   LYS  94          2HB       LYS  94 -19.484  -3.467   4.311
  721   1HG   LYS  94          1HG       LYS  94 -18.014  -2.848   2.731
  722   2HG   LYS  94          2HG       LYS  94 -17.148  -4.382   2.765
  723   1HD   LYS  94          1HD       LYS  94 -19.766  -3.810   1.367
  724   2HD   LYS  94          2HD       LYS  94 -18.184  -4.060   0.606
  725   1HE   LYS  94          1HE       LYS  94 -18.251  -6.296   0.866
  726   2HE   LYS  94          2HE       LYS  94 -19.123  -6.214   2.392
  727   1HZ   LYS  94          1HZ       LYS  94 -21.144  -6.116   1.334
  728   2HZ   LYS  94          2HZ       LYS  94 -20.278  -7.155   0.310
  729   3HZ   LYS  94          3HZ       LYS  94 -20.500  -5.536  -0.123
  730    H    ASP  95           H        ASP  95 -17.622  -6.245   3.110
  731    HA   ASP  95           HA       ASP  95 -17.298  -8.777   4.401
  732   1HB   ASP  95          1HB       ASP  95 -19.666  -8.418   3.575
  733   2HB   ASP  95          2HB       ASP  95 -19.012  -8.459   1.955
  734    H    LYS  96           H        LYS  96 -16.143  -6.475   2.365
  735    HA   LYS  96           HA       LYS  96 -15.084  -8.336   0.419
  736   1HB   LYS  96          1HB       LYS  96 -15.836  -5.598   0.051
  737   2HB   LYS  96          2HB       LYS  96 -14.086  -5.690  -0.058
  738   1HG   LYS  96          1HG       LYS  96 -15.886  -7.547  -1.545
  739   2HG   LYS  96          2HG       LYS  96 -15.331  -6.004  -2.204
  740   1HD   LYS  96          1HD       LYS  96 -13.089  -6.667  -2.139
  741   2HD   LYS  96          2HD       LYS  96 -13.434  -8.059  -1.109
  742   1HE   LYS  96          1HE       LYS  96 -13.284  -9.183  -3.051
  743   2HE   LYS  96          2HE       LYS  96 -14.944  -8.621  -3.281
  744   1HZ   LYS  96          1HZ       LYS  96 -14.196  -6.833  -4.596
  745   2HZ   LYS  96          2HZ       LYS  96 -13.397  -8.214  -5.184
  746   3HZ   LYS  96          3HZ       LYS  96 -12.569  -7.110  -4.193
  747    H    PHE  97           H        PHE  97 -13.245  -9.146   0.647
  748    HA   PHE  97           HA       PHE  97 -11.202  -7.727   2.192
  749   1HB   PHE  97          1HB       PHE  97 -12.246  -9.544   3.475
  750   2HB   PHE  97          2HB       PHE  97 -11.730 -10.674   2.244
  751    HD1  PHE  97           HD1      PHE  97 -10.427  -8.203   4.685
  752    HD2  PHE  97           HD2      PHE  97  -9.659 -11.720   2.407
  753    HE1  PHE  97           HE1      PHE  97  -8.281  -8.484   5.849
  754    HE2  PHE  97           HE2      PHE  97  -7.510 -12.002   3.570
  755    HZ   PHE  97           HZ       PHE  97  -6.861 -10.450   5.354
  756    H    ASP  98           H        ASP  98  -9.659  -7.286   0.997
  757    HA   ASP  98           HA       ASP  98  -8.769  -9.112  -1.130
  758   1HB   ASP  98          1HB       ASP  98  -9.294  -6.158  -1.399
  759   2HB   ASP  98          2HB       ASP  98  -8.170  -6.982  -2.463
  760    H    CYS  99           H        CYS  99  -6.549  -9.110  -1.514
  761    HA   CYS  99           HA       CYS  99  -4.887  -7.413   0.178
  762   1HB   CYS  99          1HB       CYS  99  -4.586 -10.416   0.178
  763   2HB   CYS  99          2HB       CYS  99  -3.648  -9.258   1.107
  764    HG   CYS  99           HG       CYS  99  -6.590  -8.561   2.018
  765    H    SER 100           H        SER 100  -2.826  -7.128  -0.532
  766    HA   SER 100           HA       SER 100  -2.132  -8.402  -3.093
  767   1HB   SER 100          1HB       SER 100  -0.875  -6.109  -3.449
  768   2HB   SER 100          2HB       SER 100  -2.556  -6.312  -3.892
  769    HG   SER 100           HG       SER 100  -2.279  -4.415  -2.688
  770    H    ASN 101           H        ASN 101  -0.041  -8.835  -3.492
  771    HA   ASN 101           HA       ASN 101   1.879  -8.289  -1.341
  772   1HB   ASN 101          1HB       ASN 101   3.087 -10.387  -2.237
  773   2HB   ASN 101          2HB       ASN 101   1.660 -10.615  -1.240
  774   1HD2  ASN 101          1HD2      ASN 101   1.817  -9.797  -4.722
  775   2HD2  ASN 101          2HD2      ASN 101   1.022 -11.248  -5.245
  776    H    PHE 102           H        PHE 102   3.337  -6.853  -1.930
  777    HA   PHE 102           HA       PHE 102   4.365  -6.903  -4.649
  778   1HB   PHE 102          1HB       PHE 102   4.137  -4.295  -4.609
  779   2HB   PHE 102          2HB       PHE 102   2.787  -5.291  -5.121
  780    HD1  PHE 102           HD1      PHE 102   3.708  -2.568  -3.161
  781    HD2  PHE 102           HD2      PHE 102   1.161  -5.959  -3.110
  782    HE1  PHE 102           HE1      PHE 102   2.288  -1.473  -1.493
  783    HE2  PHE 102           HE2      PHE 102  -0.280  -4.862  -1.463
  784    HZ   PHE 102           HZ       PHE 102   0.278  -2.584  -0.670
  785    H    ASN 103           H        ASN 103   6.475  -6.740  -4.622
  786    HA   ASN 103           HA       ASN 103   7.699  -6.262  -2.023
  787   1HB   ASN 103          1HB       ASN 103   9.496  -7.693  -2.971
  788   2HB   ASN 103          2HB       ASN 103   7.974  -8.507  -2.822
  789   1HD2  ASN 103          1HD2      ASN 103   6.924  -9.156  -4.671
  790   2HD2  ASN 103          2HD2      ASN 103   7.690  -9.136  -6.213
  791    H    LEU 104           H        LEU 104   9.659  -5.325  -1.945
  792    HA   LEU 104           HA       LEU 104  10.428  -3.671  -4.269
  793   1HB   LEU 104          1HB       LEU 104   9.833  -1.944  -2.914
  794   2HB   LEU 104          2HB       LEU 104  10.078  -2.843  -1.422
  795    HG   LEU 104           HG       LEU 104  12.562  -2.532  -2.479
  796   1HD1  LEU 104          1HD1      LEU 104  11.776  -1.046  -4.188
  797   2HD1  LEU 104          2HD1      LEU 104  12.773  -0.163  -3.032
  798   3HD1  LEU 104          3HD1      LEU 104  11.016  -0.022  -2.970
  799   1HD2  LEU 104          1HD2      LEU 104  13.018  -1.056  -0.681
  800   2HD2  LEU 104          2HD2      LEU 104  11.849  -2.248  -0.116
  801   3HD2  LEU 104          3HD2      LEU 104  11.312  -0.623  -0.543
  802    H    THR 105           H        THR 105  12.239  -4.472  -5.062
  803    HA   THR 105           HA       THR 105  14.128  -5.741  -3.234
  804    HB   THR 105           HB       THR 105  14.416  -5.579  -6.228
  805    HG1  THR 105           HG1      THR 105  12.447  -6.778  -4.970
  806   1HG2  THR 105          1HG2      THR 105  16.370  -6.238  -4.830
  807   2HG2  THR 105          2HG2      THR 105  15.831  -7.513  -5.926
  808   3HG2  THR 105          3HG2      THR 105  15.419  -7.589  -4.214
  809    H    VAL 106           H        VAL 106  15.140  -4.106  -2.244
  810    HA   VAL 106           HA       VAL 106  16.120  -1.868  -3.711
  811    HB   VAL 106           HB       VAL 106  15.339  -1.353  -1.497
  812   1HG1  VAL 106          1HG1      VAL 106  15.470  -3.300  -0.280
  813   2HG1  VAL 106          2HG1      VAL 106  16.624  -2.208   0.493
  814   3HG1  VAL 106          3HG1      VAL 106  17.199  -3.485  -0.586
  815   1HG2  VAL 106          1HG2      VAL 106  17.109   0.037  -2.279
  816   2HG2  VAL 106          2HG2      VAL 106  18.321  -1.146  -1.762
  817   3HG2  VAL 106          3HG2      VAL 106  17.366  -0.280  -0.558
  818    H    HIS 107           H        HIS 107  17.736  -1.977  -4.731
  819    HA   HIS 107           HA       HIS 107  19.757  -4.005  -4.422
  820   1HB   HIS 107          1HB       HIS 107  19.380  -1.876  -6.543
  821   2HB   HIS 107          2HB       HIS 107  20.635  -3.110  -6.568
  822    HD1  HIS 107           HD1      HIS 107  19.615  -5.663  -6.566
  823    HD2  HIS 107           HD2      HIS 107  17.134  -2.579  -7.835
  824    HE1  HIS 107           HE1      HIS 107  17.731  -6.770  -7.806
  825    HE2  HIS 107           HE2      HIS 107  16.447  -4.869  -8.839
  826    H    GLU 108           H        GLU 108  20.903  -3.452  -2.723
  827    HA   GLU 108           HA       GLU 108  22.092  -0.948  -2.242
  828   1HB   GLU 108          1HB       GLU 108  21.993  -2.995  -0.676
  829   2HB   GLU 108          2HB       GLU 108  23.418  -3.560  -1.537
  830   1HG   GLU 108          1HG       GLU 108  23.267  -0.895  -0.141
  831   2HG   GLU 108          2HG       GLU 108  23.865  -2.369   0.615
  832    H    ALA 109           H        ALA 109  22.876  -0.050  -4.033
  833    HA   ALA 109           HA       ALA 109  25.350  -1.188  -5.094
  834   1HB   ALA 109          1HB       ALA 109  23.585  -1.744  -6.698
  835   2HB   ALA 109          2HB       ALA 109  24.691  -0.549  -7.376
  836   3HB   ALA 109          3HB       ALA 109  23.114  -0.046  -6.771
  837    H    MET 110           H        MET 110  25.450   0.590  -3.174
  838    HA   MET 110           HA       MET 110  25.425   3.303  -4.167
  839   1HB   MET 110          1HB       MET 110  26.446   2.160  -1.557
  840   2HB   MET 110          2HB       MET 110  26.318   3.874  -1.928
  841   1HG   MET 110          1HG       MET 110  23.890   3.631  -2.160
  842   2HG   MET 110          2HG       MET 110  24.034   1.923  -1.758
  843   1HE   MET 110          1HE       MET 110  24.848   1.025   0.596
  844   2HE   MET 110          2HE       MET 110  25.295   2.071   1.946
  845   3HE   MET 110          3HE       MET 110  26.304   2.015   0.499
  Start of MODEL   26
    1    H    ASP   1           H        ASP   1 -19.571 -11.344   0.922
    2    HA   ASP   1           HA       ASP   1 -18.186  -9.469   0.399
    3   1HB   ASP   1          1HB       ASP   1 -16.530  -9.533  -1.319
    4   2HB   ASP   1          2HB       ASP   1 -16.235 -10.944  -0.309
    5    H    ASP   2           H        ASP   2 -19.239  -8.003  -0.800
    6    HA   ASP   2           HA       ASP   2 -21.360  -8.878  -2.576
    7   1HB   ASP   2          1HB       ASP   2 -20.599  -6.456  -1.030
    8   2HB   ASP   2          2HB       ASP   2 -21.822  -6.349  -2.279
    9    HA   PRO   3           HA       PRO   3 -19.530  -6.882  -6.209
   10   1HB   PRO   3          1HB       PRO   3 -21.950  -5.246  -6.594
   11   2HB   PRO   3          2HB       PRO   3 -21.233  -6.459  -7.662
   12   1HG   PRO   3          1HG       PRO   3 -23.525  -6.920  -6.335
   13   2HG   PRO   3          2HG       PRO   3 -22.346  -8.209  -6.637
   14   1HD   PRO   3          1HD       PRO   3 -22.847  -6.650  -4.132
   15   2HD   PRO   3          2HD       PRO   3 -22.502  -8.381  -4.334
   16    H    ILE   4           H        ILE   4 -18.098  -5.755  -4.791
   17    HA   ILE   4           HA       ILE   4 -18.658  -2.884  -4.509
   18    HB   ILE   4           HB       ILE   4 -17.011  -4.799  -2.915
   19   1HG1  ILE   4          1HG1      ILE   4 -17.801  -3.226  -1.067
   20   2HG1  ILE   4          2HG1      ILE   4 -18.794  -2.447  -2.290
   21   1HG2  ILE   4          1HG2      ILE   4 -15.285  -3.246  -3.621
   22   2HG2  ILE   4          2HG2      ILE   4 -15.676  -2.966  -1.924
   23   3HG2  ILE   4          3HG2      ILE   4 -16.291  -1.869  -3.158
   24   1HD1  ILE   4          1HD1      ILE   4 -18.931  -5.326  -1.461
   25   2HD1  ILE   4          2HD1      ILE   4 -19.923  -4.565  -2.710
   26   3HD1  ILE   4          3HD1      ILE   4 -20.072  -4.051  -1.027
   27    H    GLY   5           H        GLY   5 -15.858  -4.993  -4.980
   28   1HA   GLY   5          1HA       GLY   5 -14.360  -4.904  -6.854
   29   2HA   GLY   5          2HA       GLY   5 -15.022  -3.318  -7.239
   30    H    LEU   6           H        LEU   6 -13.821  -4.801  -4.343
   31    HA   LEU   6           HA       LEU   6 -13.171  -2.434  -3.082
   32   1HB   LEU   6          1HB       LEU   6 -13.557  -4.879  -2.272
   33   2HB   LEU   6          2HB       LEU   6 -11.818  -5.019  -2.461
   34    HG   LEU   6           HG       LEU   6 -11.464  -3.280  -0.846
   35   1HD1  LEU   6          1HD1      LEU   6 -13.478  -1.946  -1.433
   36   2HD1  LEU   6          2HD1      LEU   6 -13.205  -2.145   0.296
   37   3HD1  LEU   6          3HD1      LEU   6 -14.434  -3.112  -0.513
   38   1HD2  LEU   6          1HD2      LEU   6 -11.706  -5.543  -0.074
   39   2HD2  LEU   6          2HD2      LEU   6 -13.450  -5.314   0.072
   40   3HD2  LEU   6          3HD2      LEU   6 -12.349  -4.402   1.108
   41    H    PHE   7           H        PHE   7 -11.080  -4.766  -4.709
   42    HA   PHE   7           HA       PHE   7  -8.874  -2.904  -4.488
   43   1HB   PHE   7          1HB       PHE   7  -9.120  -5.745  -4.587
   44   2HB   PHE   7          2HB       PHE   7  -8.076  -5.221  -5.906
   45    HD1  PHE   7           HD1      PHE   7  -8.003  -2.963  -3.141
   46    HD2  PHE   7           HD2      PHE   7  -6.398  -6.630  -4.579
   47    HE1  PHE   7           HE1      PHE   7  -6.128  -2.759  -1.568
   48    HE2  PHE   7           HE2      PHE   7  -4.528  -6.440  -3.013
   49    HZ   PHE   7           HZ       PHE   7  -4.388  -4.503  -1.492
   50    H    VAL   8           H        VAL   8  -9.663  -1.383  -5.819
   51    HA   VAL   8           HA       VAL   8 -10.477  -1.797  -8.505
   52    HB   VAL   8           HB       VAL   8  -9.403   0.753  -7.291
   53   1HG1  VAL   8          1HG1      VAL   8 -10.867   1.860  -8.899
   54   2HG1  VAL   8          2HG1      VAL   8 -11.355   0.291  -9.539
   55   3HG1  VAL   8          3HG1      VAL   8  -9.684   0.831  -9.705
   56   1HG2  VAL   8          1HG2      VAL   8 -11.718   1.269  -6.657
   57   2HG2  VAL   8          2HG2      VAL   8 -11.112  -0.158  -5.814
   58   3HG2  VAL   8          3HG2      VAL   8 -12.214  -0.339  -7.180
   59    H    MET   9           H        MET   9  -7.469  -0.972  -6.924
   60    HA   MET   9           HA       MET   9  -5.970  -2.155  -9.060
   61   1HB   MET   9          1HB       MET   9  -6.096   0.073  -9.960
   62   2HB   MET   9          2HB       MET   9  -5.567   0.769  -8.435
   63   1HG   MET   9          1HG       MET   9  -3.697   0.770  -9.882
   64   2HG   MET   9          2HG       MET   9  -3.447  -0.528  -8.715
   65   1HE   MET   9          1HE       MET   9  -1.576  -1.662 -10.209
   66   2HE   MET   9          2HE       MET   9  -1.748  -0.332 -11.354
   67   3HE   MET   9          3HE       MET   9  -1.786  -2.000 -11.927
   68    H    ARG  10           H        ARG  10  -4.264  -3.130  -8.249
   69    HA   ARG  10           HA       ARG  10  -3.659  -2.554  -5.445
   70   1HB   ARG  10          1HB       ARG  10  -3.010  -4.855  -5.171
   71   2HB   ARG  10          2HB       ARG  10  -4.637  -4.776  -5.806
   72   1HG   ARG  10          1HG       ARG  10  -3.770  -5.319  -8.039
   73   2HG   ARG  10          2HG       ARG  10  -2.146  -5.448  -7.354
   74   1HD   ARG  10          1HD       ARG  10  -3.126  -7.155  -5.745
   75   2HD   ARG  10          2HD       ARG  10  -4.552  -7.157  -6.781
   76    HE   ARG  10           HE       ARG  10  -2.312  -7.594  -8.387
   77   1HH1  ARG  10          1HH1      ARG  10  -4.125  -9.228  -5.875
   78   2HH1  ARG  10          2HH1      ARG  10  -3.694 -10.814  -6.425
   79   1HH2  ARG  10          1HH2      ARG  10  -1.742  -9.675  -9.100
   80   2HH2  ARG  10          2HH2      ARG  10  -2.329 -11.073  -8.240
   81    HA   PRO  11           HA       PRO  11   0.223  -1.086  -6.741
   82   1HB   PRO  11          1HB       PRO  11   1.531  -1.507  -4.316
   83   2HB   PRO  11          2HB       PRO  11   0.633  -0.066  -4.769
   84   1HG   PRO  11          1HG       PRO  11  -0.110  -2.231  -2.977
   85   2HG   PRO  11          2HG       PRO  11  -0.731  -0.584  -3.051
   86   1HD   PRO  11          1HD       PRO  11  -2.065  -2.865  -3.902
   87   2HD   PRO  11          2HD       PRO  11  -2.464  -1.199  -4.365
   88    H    GLN  12           H        GLN  12   2.424  -1.748  -7.038
   89    HA   GLN  12           HA       GLN  12   2.698  -4.669  -7.113
   90   1HB   GLN  12          1HB       GLN  12   3.477  -2.576  -9.143
   91   2HB   GLN  12          2HB       GLN  12   3.868  -4.283  -9.269
   92   1HG   GLN  12          1HG       GLN  12   1.071  -3.202  -9.094
   93   2HG   GLN  12          2HG       GLN  12   1.896  -3.566 -10.608
   94   1HE2  GLN  12          1HE2      GLN  12   0.582  -4.965  -7.657
   95   2HE2  GLN  12          2HE2      GLN  12   0.443  -6.577  -8.280
   96    H    ASP  13           H        ASP  13   5.135  -5.213  -7.622
   97    HA   ASP  13           HA       ASP  13   6.666  -4.390  -5.475
   98   1HB   ASP  13          1HB       ASP  13   8.328  -5.806  -6.726
   99   2HB   ASP  13          2HB       ASP  13   6.812  -6.592  -6.374
  100    H    GLY  14           H        GLY  14   9.001  -4.624  -7.238
  101   1HA   GLY  14          1HA       GLY  14   9.702  -2.729  -8.905
  102   2HA   GLY  14          2HA       GLY  14   9.450  -1.761  -7.468
  103    H    GLU  15           H        GLU  15  11.737  -2.683  -9.155
  104    HA   GLU  15           HA       GLU  15  13.529  -3.437  -6.954
  105   1HB   GLU  15          1HB       GLU  15  13.955  -3.690  -9.944
  106   2HB   GLU  15          2HB       GLU  15  15.186  -4.014  -8.737
  107   1HG   GLU  15          1HG       GLU  15  13.602  -5.771  -7.814
  108   2HG   GLU  15          2HG       GLU  15  12.686  -5.559  -9.306
  109    H    VAL  16           H        VAL  16  14.674  -1.754  -6.168
  110    HA   VAL  16           HA       VAL  16  15.269   0.433  -7.917
  111    HB   VAL  16           HB       VAL  16  14.391   2.017  -6.496
  112   1HG1  VAL  16          1HG1      VAL  16  12.438  -0.246  -6.393
  113   2HG1  VAL  16          2HG1      VAL  16  12.603   0.959  -7.669
  114   3HG1  VAL  16          3HG1      VAL  16  12.046   1.443  -6.067
  115   1HG2  VAL  16          1HG2      VAL  16  13.567   1.590  -4.200
  116   2HG2  VAL  16          2HG2      VAL  16  15.293   1.279  -4.395
  117   3HG2  VAL  16          3HG2      VAL  16  14.150  -0.068  -4.349
  118    H    THR  17           H        THR  17  16.953   1.622  -7.062
  119    HA   THR  17           HA       THR  17  18.900   0.017  -5.645
  120    HB   THR  17           HB       THR  17  19.577   2.765  -6.520
  121    HG1  THR  17           HG1      THR  17  19.753   1.098  -8.660
  122   1HG2  THR  17          1HG2      THR  17  20.899   0.074  -6.862
  123   2HG2  THR  17          2HG2      THR  17  21.292   1.290  -5.646
  124   3HG2  THR  17          3HG2      THR  17  21.600   1.617  -7.351
  125    H    VAL  18           H        VAL  18  20.053   0.929  -3.808
  126    HA   VAL  18           HA       VAL  18  18.486   2.403  -1.989
  127    HB   VAL  18           HB       VAL  18  21.453   2.186  -1.846
  128   1HG1  VAL  18          1HG1      VAL  18  20.454   3.788  -0.347
  129   2HG1  VAL  18          2HG1      VAL  18  21.105   2.421   0.559
  130   3HG1  VAL  18          3HG1      VAL  18  19.368   2.544   0.276
  131   1HG2  VAL  18          1HG2      VAL  18  21.272   0.157  -0.574
  132   2HG2  VAL  18          2HG2      VAL  18  20.433  -0.074  -2.111
  133   3HG2  VAL  18          3HG2      VAL  18  19.510   0.238  -0.638
  134    H    GLY  19           H        GLY  19  17.993   4.188  -2.548
  135   1HA   GLY  19          1HA       GLY  19  18.724   6.537  -2.135
  136   2HA   GLY  19          2HA       GLY  19  20.020   6.196  -3.271
  137    H    GLY  20           H        GLY  20  17.111   4.712  -4.345
  138   1HA   GLY  20          1HA       GLY  20  16.574   7.057  -6.005
  139   2HA   GLY  20          2HA       GLY  20  16.089   5.414  -6.340
  140    H    SER  21           H        SER  21  14.165   5.295  -6.279
  141    HA   SER  21           HA       SER  21  12.643   5.918  -3.984
  142   1HB   SER  21          1HB       SER  21  10.916   6.970  -5.442
  143   2HB   SER  21          2HB       SER  21  12.354   7.921  -5.161
  144    HG   SER  21           HG       SER  21  13.076   7.431  -7.212
  145    H    ILE  22           H        ILE  22  10.511   5.144  -4.250
  146    HA   ILE  22           HA       ILE  22   9.868   3.305  -6.298
  147    HB   ILE  22           HB       ILE  22  10.889   1.899  -4.619
  148   1HG1  ILE  22          1HG1      ILE  22   9.000   0.336  -4.308
  149   2HG1  ILE  22          2HG1      ILE  22   7.921   1.592  -4.887
  150   1HG2  ILE  22          1HG2      ILE  22  10.451   3.200  -2.618
  151   2HG2  ILE  22          2HG2      ILE  22   9.881   1.541  -2.436
  152   3HG2  ILE  22          3HG2      ILE  22   8.731   2.836  -2.770
  153   1HD1  ILE  22          1HD1      ILE  22   8.416   0.019  -6.651
  154   2HD1  ILE  22          2HD1      ILE  22  10.145   0.300  -6.445
  155   3HD1  ILE  22          3HD1      ILE  22   9.104   1.599  -7.031
  156    H    THR  23           H        THR  23   7.708   2.967  -6.286
  157    HA   THR  23           HA       THR  23   6.081   4.847  -4.786
  158    HB   THR  23           HB       THR  23   5.829   4.805  -7.782
  159    HG1  THR  23           HG1      THR  23   7.656   6.082  -6.199
  160   1HG2  THR  23          1HG2      THR  23   4.542   6.875  -7.358
  161   2HG2  THR  23          2HG2      THR  23   4.771   6.645  -5.622
  162   3HG2  THR  23          3HG2      THR  23   3.830   5.475  -6.551
  163    H    PHE  24           H        PHE  24   4.261   4.053  -4.240
  164    HA   PHE  24           HA       PHE  24   3.167   1.745  -5.672
  165   1HB   PHE  24          1HB       PHE  24   3.119   2.264  -2.697
  166   2HB   PHE  24          2HB       PHE  24   2.387   0.903  -3.517
  167    HD1  PHE  24           HD1      PHE  24   4.411  -0.033  -5.334
  168    HD2  PHE  24           HD2      PHE  24   4.840   1.509  -1.400
  169    HE1  PHE  24           HE1      PHE  24   6.500  -1.302  -5.071
  170    HE2  PHE  24           HE2      PHE  24   6.939   0.252  -1.131
  171    HZ   PHE  24           HZ       PHE  24   7.770  -1.156  -2.969
  172    H    SER  25           H        SER  25   1.032   1.779  -5.989
  173    HA   SER  25           HA       SER  25  -0.590   3.861  -4.792
  174   1HB   SER  25          1HB       SER  25  -1.627   3.439  -7.370
  175   2HB   SER  25          2HB       SER  25  -0.843   4.885  -6.744
  176    HG   SER  25           HG       SER  25   0.443   4.363  -8.405
  177    H    ALA  26           H        ALA  26  -2.199   3.085  -3.858
  178    HA   ALA  26           HA       ALA  26  -3.317   0.461  -4.616
  179   1HB   ALA  26          1HB       ALA  26  -3.942   0.286  -2.158
  180   2HB   ALA  26          2HB       ALA  26  -2.877   1.670  -1.887
  181   3HB   ALA  26          3HB       ALA  26  -2.220   0.177  -2.517
  182    H    ARG  27           H        ARG  27  -5.291   0.642  -5.432
  183    HA   ARG  27           HA       ARG  27  -6.935   2.961  -4.670
  184   1HB   ARG  27          1HB       ARG  27  -7.045   1.169  -7.097
  185   2HB   ARG  27          2HB       ARG  27  -8.240   2.401  -6.734
  186   1HG   ARG  27          1HG       ARG  27  -6.509   4.123  -6.898
  187   2HG   ARG  27          2HG       ARG  27  -5.318   2.874  -7.274
  188   1HD   ARG  27          1HD       ARG  27  -6.571   2.243  -9.264
  189   2HD   ARG  27          2HD       ARG  27  -7.803   3.445  -8.889
  190    HE   ARG  27           HE       ARG  27  -5.652   4.997  -9.059
  191   1HH1  ARG  27          1HH1      ARG  27  -6.785   2.417 -11.145
  192   2HH1  ARG  27          2HH1      ARG  27  -6.037   3.060 -12.572
  193   1HH2  ARG  27          1HH2      ARG  27  -4.696   5.872 -10.947
  194   2HH2  ARG  27          2HH2      ARG  27  -4.873   5.033 -12.463
  195    H    VAL  28           H        VAL  28  -8.637   2.610  -3.372
  196    HA   VAL  28           HA       VAL  28  -9.857  -0.041  -3.390
  197    HB   VAL  28           HB       VAL  28  -9.720   1.683  -0.931
  198   1HG1  VAL  28          1HG1      VAL  28 -10.383  -0.333   0.214
  199   2HG1  VAL  28          2HG1      VAL  28 -10.252  -1.271  -1.273
  200   3HG1  VAL  28          3HG1      VAL  28 -11.507  -0.041  -1.119
  201   1HG2  VAL  28          1HG2      VAL  28  -7.824  -0.479  -1.827
  202   2HG2  VAL  28          2HG2      VAL  28  -7.947   0.083  -0.164
  203   3HG2  VAL  28          3HG2      VAL  28  -7.452   1.201  -1.435
  204    H    ALA  29           H        ALA  29 -11.799  -0.017  -3.811
  205    HA   ALA  29           HA       ALA  29 -13.394   2.121  -4.486
  206   1HB   ALA  29          1HB       ALA  29 -14.191  -0.669  -3.685
  207   2HB   ALA  29          2HB       ALA  29 -13.827  -0.102  -5.318
  208   3HB   ALA  29          3HB       ALA  29 -15.251   0.502  -4.468
  209    H    GLY  30           H        GLY  30 -13.947   3.637  -3.190
  210   1HA   GLY  30          1HA       GLY  30 -14.600   3.542  -0.474
  211   2HA   GLY  30          2HA       GLY  30 -15.253   4.713  -1.619
  212    H    ALA  31           H        ALA  31 -16.439   2.761  -3.324
  213    HA   ALA  31           HA       ALA  31 -18.227   1.427  -3.679
  214   1HB   ALA  31          1HB       ALA  31 -17.458   0.338  -0.994
  215   2HB   ALA  31          2HB       ALA  31 -16.658  -0.051  -2.518
  216   3HB   ALA  31          3HB       ALA  31 -18.344  -0.507  -2.267
  217    H    SER  32           H        SER  32 -20.094   0.224  -2.281
  218    HA   SER  32           HA       SER  32 -21.387   2.193  -0.525
  219   1HB   SER  32          1HB       SER  32 -22.571   1.774  -2.732
  220   2HB   SER  32          2HB       SER  32 -22.781   0.100  -2.225
  221    HG   SER  32           HG       SER  32 -24.600   0.997  -1.515
  222    H    LEU  33           H        LEU  33 -21.222   1.449   1.530
  223    HA   LEU  33           HA       LEU  33 -21.188  -1.381   2.015
  224   1HB   LEU  33          1HB       LEU  33 -19.053  -1.339   3.127
  225   2HB   LEU  33          2HB       LEU  33 -18.914  -0.990   1.435
  226    HG   LEU  33           HG       LEU  33 -17.807   0.393   3.656
  227   1HD1  LEU  33          1HD1      LEU  33 -16.643   1.590   1.883
  228   2HD1  LEU  33          2HD1      LEU  33 -17.761   0.907   0.700
  229   3HD1  LEU  33          3HD1      LEU  33 -16.688  -0.150   1.615
  230   1HD2  LEU  33          1HD2      LEU  33 -19.960   1.770   3.493
  231   2HD2  LEU  33          2HD2      LEU  33 -19.316   2.345   1.950
  232   3HD2  LEU  33          3HD2      LEU  33 -18.419   2.622   3.440
  233    H    LEU  34           H        LEU  34 -20.621  -1.794   4.420
  234    HA   LEU  34           HA       LEU  34 -22.577  -0.447   5.997
  235   1HB   LEU  34          1HB       LEU  34 -21.887  -2.833   6.309
  236   2HB   LEU  34          2HB       LEU  34 -20.345  -2.258   6.920
  237    HG   LEU  34           HG       LEU  34 -21.750  -0.957   8.638
  238   1HD1  LEU  34          1HD1      LEU  34 -23.911  -1.256   7.606
  239   2HD1  LEU  34          2HD1      LEU  34 -23.890  -2.015   9.199
  240   3HD1  LEU  34          3HD1      LEU  34 -23.766  -3.007   7.746
  241   1HD2  LEU  34          1HD2      LEU  34 -20.294  -2.827   9.189
  242   2HD2  LEU  34          2HD2      LEU  34 -21.563  -3.965   8.743
  243   3HD2  LEU  34          3HD2      LEU  34 -21.783  -2.896  10.131
  244    H    LYS  35           H        LYS  35 -19.161  -0.886   6.784
  245    HA   LYS  35           HA       LYS  35 -19.004   1.991   7.297
  246   1HB   LYS  35          1HB       LYS  35 -17.067   1.401   8.840
  247   2HB   LYS  35          2HB       LYS  35 -18.674   0.998   9.410
  248   1HG   LYS  35          1HG       LYS  35 -17.326  -0.823  10.001
  249   2HG   LYS  35          2HG       LYS  35 -18.223  -1.361   8.583
  250   1HD   LYS  35          1HD       LYS  35 -16.331  -1.179   7.188
  251   2HD   LYS  35          2HD       LYS  35 -15.462  -0.189   8.363
  252   1HE   LYS  35          1HE       LYS  35 -16.215  -3.074   8.831
  253   2HE   LYS  35          2HE       LYS  35 -14.664  -2.558   8.174
  254   1HZ   LYS  35          1HZ       LYS  35 -14.266  -1.294  10.209
  255   2HZ   LYS  35          2HZ       LYS  35 -14.524  -2.932  10.555
  256   3HZ   LYS  35          3HZ       LYS  35 -15.754  -1.806  10.839
  257    HA   PRO  36           HA       PRO  36 -16.106   2.601   4.062
  258   1HB   PRO  36          1HB       PRO  36 -14.382   3.796   6.192
  259   2HB   PRO  36          2HB       PRO  36 -14.804   4.438   4.600
  260   1HG   PRO  36          1HG       PRO  36 -15.988   5.365   6.788
  261   2HG   PRO  36          2HG       PRO  36 -16.906   5.125   5.291
  262   1HD   PRO  36          1HD       PRO  36 -16.918   3.521   7.796
  263   2HD   PRO  36          2HD       PRO  36 -18.226   3.806   6.631
  264    HA   PRO  37           HA       PRO  37 -13.606  -0.960   4.378
  265   1HB   PRO  37          1HB       PRO  37 -11.779   0.231   2.430
  266   2HB   PRO  37          2HB       PRO  37 -12.740  -1.245   2.311
  267   1HG   PRO  37          1HG       PRO  37 -13.473   0.910   0.883
  268   2HG   PRO  37          2HG       PRO  37 -14.670  -0.131   1.649
  269   1HD   PRO  37          1HD       PRO  37 -13.619   2.515   2.577
  270   2HD   PRO  37          2HD       PRO  37 -15.292   1.915   2.537
  271    H    VAL  38           H        VAL  38 -11.928  -1.623   5.466
  272    HA   VAL  38           HA       VAL  38 -10.089   0.371   6.512
  273    HB   VAL  38           HB       VAL  38 -10.093  -2.393   7.523
  274   1HG1  VAL  38          1HG1      VAL  38  -9.571  -1.269   9.663
  275   2HG1  VAL  38          2HG1      VAL  38  -9.673   0.281   8.826
  276   3HG1  VAL  38          3HG1      VAL  38  -8.439  -0.893   8.365
  277   1HG2  VAL  38          1HG2      VAL  38 -12.190  -0.399   8.373
  278   2HG2  VAL  38          2HG2      VAL  38 -11.874  -1.949   9.153
  279   3HG2  VAL  38          3HG2      VAL  38 -12.478  -1.904   7.498
  280    H    VAL  39           H        VAL  39  -8.613   0.438   5.146
  281    HA   VAL  39           HA       VAL  39  -7.340  -1.945   4.118
  282    HB   VAL  39           HB       VAL  39  -6.486   0.772   3.280
  283   1HG1  VAL  39          1HG1      VAL  39  -6.662  -1.870   1.873
  284   2HG1  VAL  39          2HG1      VAL  39  -5.210  -1.082   2.497
  285   3HG1  VAL  39          3HG1      VAL  39  -6.084  -0.377   1.134
  286   1HG2  VAL  39          1HG2      VAL  39  -8.158   0.981   1.579
  287   2HG2  VAL  39          2HG2      VAL  39  -8.955   0.823   3.144
  288   3HG2  VAL  39          3HG2      VAL  39  -8.884  -0.559   2.050
  289    H    LYS  40           H        LYS  40  -5.778  -2.485   5.355
  290    HA   LYS  40           HA       LYS  40  -4.103  -0.471   6.541
  291   1HB   LYS  40          1HB       LYS  40  -3.314  -2.299   8.022
  292   2HB   LYS  40          2HB       LYS  40  -4.976  -1.829   8.253
  293   1HG   LYS  40          1HG       LYS  40  -5.286  -4.063   8.265
  294   2HG   LYS  40          2HG       LYS  40  -5.300  -3.834   6.517
  295   1HD   LYS  40          1HD       LYS  40  -3.500  -5.144   6.302
  296   2HD   LYS  40          2HD       LYS  40  -2.586  -4.108   7.396
  297   1HE   LYS  40          1HE       LYS  40  -4.410  -6.372   8.202
  298   2HE   LYS  40          2HE       LYS  40  -2.647  -6.406   8.214
  299   1HZ   LYS  40          1HZ       LYS  40  -3.600  -5.982  10.416
  300   2HZ   LYS  40          2HZ       LYS  40  -4.328  -4.567   9.835
  301   3HZ   LYS  40          3HZ       LYS  40  -2.636  -4.692   9.889
  302    H    TRP  41           H        TRP  41  -2.330  -0.207   5.873
  303    HA   TRP  41           HA       TRP  41  -1.085  -1.866   3.905
  304   1HB   TRP  41          1HB       TRP  41  -0.350   0.718   5.226
  305   2HB   TRP  41          2HB       TRP  41   0.752  -0.123   4.138
  306    HD1  TRP  41           HD1      TRP  41  -2.696   1.574   4.149
  307    HE1  TRP  41           HE1      TRP  41  -3.172   2.341   1.728
  308    HE3  TRP  41           HE3      TRP  41   1.303  -0.564   1.800
  309    HZ2  TRP  41           HZ2      TRP  41  -2.053   2.003  -0.826
  310    HZ3  TRP  41           HZ3      TRP  41   1.510  -0.318  -0.644
  311    HH2  TRP  41           HH2      TRP  41  -0.148   0.969  -1.917
  312    H    PHE  42           H        PHE  42   0.916  -2.709   4.027
  313    HA   PHE  42           HA       PHE  42   2.191  -2.910   6.641
  314   1HB   PHE  42          1HB       PHE  42   1.000  -5.092   5.947
  315   2HB   PHE  42          2HB       PHE  42   2.187  -5.192   4.652
  316    HD1  PHE  42           HD1      PHE  42   4.432  -5.845   5.080
  317    HD2  PHE  42           HD2      PHE  42   1.717  -5.294   8.313
  318    HE1  PHE  42           HE1      PHE  42   6.028  -6.941   6.600
  319    HE2  PHE  42           HE2      PHE  42   3.309  -6.392   9.837
  320    HZ   PHE  42           HZ       PHE  42   5.425  -7.217   9.022
  321    H    LYS  43           H        LYS  43   4.440  -2.794   6.435
  322    HA   LYS  43           HA       LYS  43   5.229  -1.657   3.835
  323   1HB   LYS  43          1HB       LYS  43   5.231   0.032   5.580
  324   2HB   LYS  43          2HB       LYS  43   6.080  -1.033   6.693
  325   1HG   LYS  43          1HG       LYS  43   8.064  -0.865   5.192
  326   2HG   LYS  43          2HG       LYS  43   7.174   0.340   4.251
  327   1HD   LYS  43          1HD       LYS  43   6.930   1.721   6.257
  328   2HD   LYS  43          2HD       LYS  43   7.813   0.519   7.198
  329   1HE   LYS  43          1HE       LYS  43   9.667   0.887   5.420
  330   2HE   LYS  43          2HE       LYS  43   8.812   2.391   5.094
  331   1HZ   LYS  43          1HZ       LYS  43  10.030   1.530   7.662
  332   2HZ   LYS  43          2HZ       LYS  43   9.001   2.866   7.523
  333   3HZ   LYS  43          3HZ       LYS  43  10.473   2.849   6.701
  334    H    GLY  44           H        GLY  44   7.498  -2.062   3.347
  335   1HA   GLY  44          1HA       GLY  44   8.673  -4.069   2.685
  336   2HA   GLY  44          2HA       GLY  44   9.633  -3.109   3.770
  337    H    LYS  45           H        LYS  45  10.838  -5.070   4.058
  338    HA   LYS  45           HA       LYS  45   9.938  -7.581   4.516
  339   1HB   LYS  45          1HB       LYS  45  12.354  -6.055   5.159
  340   2HB   LYS  45          2HB       LYS  45  12.181  -7.547   6.077
  341   1HG   LYS  45          1HG       LYS  45  11.895  -8.750   3.908
  342   2HG   LYS  45          2HG       LYS  45  12.211  -7.229   3.073
  343   1HD   LYS  45          1HD       LYS  45  14.295  -8.246   3.075
  344   2HD   LYS  45          2HD       LYS  45  14.383  -7.191   4.487
  345   1HE   LYS  45          1HE       LYS  45  15.278  -9.343   5.079
  346   2HE   LYS  45          2HE       LYS  45  13.733  -9.125   5.903
  347   1HZ   LYS  45          1HZ       LYS  45  14.134 -10.666   3.395
  348   2HZ   LYS  45          2HZ       LYS  45  12.668 -10.483   4.225
  349   3HZ   LYS  45          3HZ       LYS  45  13.947 -11.339   4.939
  350    H    TRP  46           H        TRP  46   9.128  -5.156   6.809
  351    HA   TRP  46           HA       TRP  46   8.032  -7.106   8.573
  352   1HB   TRP  46          1HB       TRP  46   9.358  -6.208  10.531
  353   2HB   TRP  46          2HB       TRP  46  10.131  -7.386   9.490
  354    HD1  TRP  46           HD1      TRP  46  12.002  -6.393   7.785
  355    HE1  TRP  46           HE1      TRP  46  13.523  -4.342   7.973
  356    HE3  TRP  46           HE3      TRP  46   9.520  -3.960  11.511
  357    HZ2  TRP  46           HZ2      TRP  46  13.650  -1.967   9.551
  358    HZ3  TRP  46           HZ3      TRP  46  10.402  -1.810  12.314
  359    HH2  TRP  46           HH2      TRP  46  12.414  -0.834  11.355
  360    H    VAL  47           H        VAL  47   7.985  -3.972   7.500
  361    HA   VAL  47           HA       VAL  47   7.629  -2.700   9.987
  362    HB   VAL  47           HB       VAL  47   7.608  -0.917   7.738
  363   1HG1  VAL  47          1HG1      VAL  47   8.113  -0.313  10.024
  364   2HG1  VAL  47          2HG1      VAL  47   9.486   0.046   8.975
  365   3HG1  VAL  47          3HG1      VAL  47   9.512  -1.387  10.003
  366   1HG2  VAL  47          1HG2      VAL  47   8.891  -2.491   6.485
  367   2HG2  VAL  47          2HG2      VAL  47   9.895  -2.880   7.885
  368   3HG2  VAL  47          3HG2      VAL  47  10.020  -1.295   7.121
  369    H    ASP  48           H        ASP  48   6.209  -1.117  10.213
  370    HA   ASP  48           HA       ASP  48   3.555  -1.489   9.089
  371   1HB   ASP  48          1HB       ASP  48   3.057  -0.207  11.292
  372   2HB   ASP  48          2HB       ASP  48   3.312  -1.934  11.299
  373    H    LEU  49           H        LEU  49   3.159   0.107   7.608
  374    HA   LEU  49           HA       LEU  49   4.527   2.513   7.432
  375   1HB   LEU  49          1HB       LEU  49   1.806   1.769   6.400
  376   2HB   LEU  49          2HB       LEU  49   2.544   3.330   6.113
  377    HG   LEU  49           HG       LEU  49   4.499   1.812   5.135
  378   1HD1  LEU  49          1HD1      LEU  49   2.026   0.276   4.427
  379   2HD1  LEU  49          2HD1      LEU  49   3.194  -0.264   5.644
  380   3HD1  LEU  49          3HD1      LEU  49   3.697  -0.049   3.968
  381   1HD2  LEU  49          1HD2      LEU  49   3.450   2.103   2.953
  382   2HD2  LEU  49          2HD2      LEU  49   3.386   3.557   3.947
  383   3HD2  LEU  49          3HD2      LEU  49   1.946   2.545   3.756
  384    H    SER  50           H        SER  50   1.715   1.816   9.373
  385    HA   SER  50           HA       SER  50   0.592   4.383   9.390
  386   1HB   SER  50          1HB       SER  50  -0.583   2.252  10.091
  387   2HB   SER  50          2HB       SER  50   0.363   2.293  11.577
  388    HG   SER  50           HG       SER  50  -0.698   4.684  11.348
  389    H    SER  51           H        SER  51   3.290   2.949  10.901
  390    HA   SER  51           HA       SER  51   3.451   5.055  12.806
  391   1HB   SER  51          1HB       SER  51   5.262   2.695  12.470
  392   2HB   SER  51          2HB       SER  51   5.184   3.765  13.849
  393    HG   SER  51           HG       SER  51   3.816   1.553  13.420
  394    H    LYS  52           H        LYS  52   5.102   3.744  10.056
  395    HA   LYS  52           HA       LYS  52   7.507   5.247  10.455
  396   1HB   LYS  52          1HB       LYS  52   7.010   3.724   7.966
  397   2HB   LYS  52          2HB       LYS  52   8.454   3.814   8.961
  398   1HG   LYS  52          1HG       LYS  52   6.024   2.130   9.322
  399   2HG   LYS  52          2HG       LYS  52   7.699   1.610   9.127
  400   1HD   LYS  52          1HD       LYS  52   6.724   3.136  11.532
  401   2HD   LYS  52          2HD       LYS  52   6.679   1.372  11.445
  402   1HE   LYS  52          1HE       LYS  52   9.067   1.271  11.307
  403   2HE   LYS  52          2HE       LYS  52   9.192   3.011  11.058
  404   1HZ   LYS  52          1HZ       LYS  52   8.094   1.802  13.538
  405   2HZ   LYS  52          2HZ       LYS  52   8.520   3.426  13.279
  406   3HZ   LYS  52          3HZ       LYS  52   9.725   2.235  13.360
  407    H    VAL  53           H        VAL  53   4.908   5.160   8.248
  408    HA   VAL  53           HA       VAL  53   5.425   6.569   6.127
  409    HB   VAL  53           HB       VAL  53   3.009   6.452   7.857
  410   1HG1  VAL  53          1HG1      VAL  53   1.712   7.465   5.982
  411   2HG1  VAL  53          2HG1      VAL  53   3.244   8.023   5.292
  412   3HG1  VAL  53          3HG1      VAL  53   2.714   8.626   6.864
  413   1HG2  VAL  53          1HG2      VAL  53   3.656   4.532   6.613
  414   2HG2  VAL  53          2HG2      VAL  53   3.745   5.477   5.126
  415   3HG2  VAL  53          3HG2      VAL  53   2.189   5.216   5.917
  416    H    GLY  54           H        GLY  54   6.804   7.942   6.134
  417   1HA   GLY  54          1HA       GLY  54   6.141  10.627   7.100
  418   2HA   GLY  54          2HA       GLY  54   7.656   9.947   7.680
  419    H    GLN  55           H        GLN  55   9.210  11.062   6.653
  420    HA   GLN  55           HA       GLN  55   8.646  12.389   4.187
  421   1HB   GLN  55          1HB       GLN  55  11.075  12.270   5.953
  422   2HB   GLN  55          2HB       GLN  55  11.074  13.145   4.431
  423   1HG   GLN  55          1HG       GLN  55  10.676  14.659   6.265
  424   2HG   GLN  55          2HG       GLN  55   9.244  14.554   5.246
  425   1HE2  GLN  55          1HE2      GLN  55   7.354  13.732   6.098
  426   2HE2  GLN  55          2HE2      GLN  55   7.155  13.334   7.771
  427    H    HIS  56           H        HIS  56   9.835   9.292   4.794
  428    HA   HIS  56           HA       HIS  56  11.086   9.239   2.130
  429   1HB   HIS  56          1HB       HIS  56  12.365   7.331   2.785
  430   2HB   HIS  56          2HB       HIS  56  12.525   8.542   4.042
  431    HD1  HIS  56           HD1      HIS  56  10.906   5.237   3.356
  432    HD2  HIS  56           HD2      HIS  56  11.669   7.776   6.552
  433    HE1  HIS  56           HE1      HIS  56  10.229   3.956   5.406
  434    HE2  HIS  56           HE2      HIS  56  10.977   5.411   7.336
  435    H    LEU  57           H        LEU  57   8.831   7.592   4.199
  436    HA   LEU  57           HA       LEU  57   7.525   6.488   1.812
  437   1HB   LEU  57          1HB       LEU  57   8.262   4.631   3.152
  438   2HB   LEU  57          2HB       LEU  57   7.853   5.402   4.630
  439    HG   LEU  57           HG       LEU  57   5.979   4.270   4.686
  440   1HD1  LEU  57          1HD1      LEU  57   4.842   5.832   3.158
  441   2HD1  LEU  57          2HD1      LEU  57   4.249   4.180   3.013
  442   3HD1  LEU  57          3HD1      LEU  57   5.355   4.827   1.804
  443   1HD2  LEU  57          1HD2      LEU  57   7.075   2.920   2.298
  444   2HD2  LEU  57          2HD2      LEU  57   5.773   2.299   3.313
  445   3HD2  LEU  57          3HD2      LEU  57   7.384   2.542   3.992
  446    H    GLN  58           H        GLN  58   6.143   8.260   1.561
  447    HA   GLN  58           HA       GLN  58   4.355   8.900   3.706
  448   1HB   GLN  58          1HB       GLN  58   4.368   9.839   0.824
  449   2HB   GLN  58          2HB       GLN  58   3.410  10.512   2.131
  450   1HG   GLN  58          1HG       GLN  58   5.062  12.032   2.035
  451   2HG   GLN  58          2HG       GLN  58   5.778  10.938   3.196
  452   1HE2  GLN  58          1HE2      GLN  58   7.569   9.778   2.615
  453   2HE2  GLN  58          2HE2      GLN  58   8.463  10.077   1.162
  454    H    LEU  59           H        LEU  59   2.869   7.509   3.974
  455    HA   LEU  59           HA       LEU  59   1.563   6.150   1.769
  456   1HB   LEU  59          1HB       LEU  59   2.167   4.977   4.013
  457   2HB   LEU  59          2HB       LEU  59   0.895   5.931   4.728
  458    HG   LEU  59           HG       LEU  59   0.664   3.631   2.810
  459   1HD1  LEU  59          1HD1      LEU  59  -0.091   4.350   5.583
  460   2HD1  LEU  59          2HD1      LEU  59   0.631   2.863   4.937
  461   3HD1  LEU  59          3HD1      LEU  59  -1.091   3.189   4.694
  462   1HD2  LEU  59          1HD2      LEU  59  -1.707   4.077   2.598
  463   2HD2  LEU  59          2HD2      LEU  59  -0.746   5.379   1.883
  464   3HD2  LEU  59          3HD2      LEU  59  -1.513   5.608   3.457
  465    H    HIS  60           H        HIS  60   0.549   7.805   0.831
  466    HA   HIS  60           HA       HIS  60  -1.077   9.594   2.336
  467   1HB   HIS  60          1HB       HIS  60   0.460  10.475   0.591
  468   2HB   HIS  60          2HB       HIS  60  -0.469   9.612  -0.614
  469    HD1  HIS  60           HD1      HIS  60  -1.532  11.959   2.203
  470    HD2  HIS  60           HD2      HIS  60  -1.915  11.483  -1.917
  471    HE1  HIS  60           HE1      HIS  60  -2.995  13.852   1.431
  472    HE2  HIS  60           HE2      HIS  60  -3.001  13.683  -1.085
  473    H    ASP  61           H        ASP  61  -3.015  10.050   1.530
  474    HA   ASP  61           HA       ASP  61  -4.522   7.890   0.401
  475   1HB   ASP  61          1HB       ASP  61  -6.242   8.167   2.110
  476   2HB   ASP  61          2HB       ASP  61  -4.772   7.435   2.699
  477    H    SER  62           H        SER  62  -5.374   8.635  -1.146
  478    HA   SER  62           HA       SER  62  -6.542  11.303  -1.240
  479   1HB   SER  62          1HB       SER  62  -6.426   9.392  -3.540
  480   2HB   SER  62          2HB       SER  62  -6.617  11.136  -3.588
  481    HG   SER  62           HG       SER  62  -4.321   9.667  -3.511
  482    H    TYR  63           H        TYR  63  -8.691  11.549  -1.943
  483    HA   TYR  63           HA       TYR  63 -10.379   9.286  -1.425
  484   1HB   TYR  63          1HB       TYR  63 -10.132   9.934   0.746
  485   2HB   TYR  63          2HB       TYR  63 -10.054  11.644   0.375
  486    HD1  TYR  63           HD1      TYR  63 -11.964  12.978   0.607
  487    HD2  TYR  63           HD2      TYR  63 -12.383   8.745   0.617
  488    HE1  TYR  63           HE1      TYR  63 -14.295  13.220   1.348
  489    HE2  TYR  63           HE2      TYR  63 -14.719   8.976   1.353
  490    HH   TYR  63           HH       TYR  63 -16.073  10.737   2.638
  491    H    ASP  64           H        ASP  64 -11.229   9.335  -3.307
  492    HA   ASP  64           HA       ASP  64 -12.871  11.686  -3.925
  493   1HB   ASP  64          1HB       ASP  64 -11.043  11.013  -5.615
  494   2HB   ASP  64          2HB       ASP  64 -12.127   9.698  -6.029
  495    H    ARG  65           H        ARG  65 -14.850  11.394  -4.016
  496    HA   ARG  65           HA       ARG  65 -15.900   8.756  -3.293
  497   1HB   ARG  65          1HB       ARG  65 -16.653  11.539  -2.622
  498   2HB   ARG  65          2HB       ARG  65 -17.960  10.358  -2.733
  499   1HG   ARG  65          1HG       ARG  65 -15.478   9.984  -1.082
  500   2HG   ARG  65          2HG       ARG  65 -17.027  10.571  -0.455
  501   1HD   ARG  65          1HD       ARG  65 -17.149   8.141  -2.093
  502   2HD   ARG  65          2HD       ARG  65 -16.322   7.949  -0.536
  503    HE   ARG  65           HE       ARG  65 -19.068   9.019  -0.815
  504   1HH1  ARG  65          1HH1      ARG  65 -16.716   7.023   0.902
  505   2HH1  ARG  65          2HH1      ARG  65 -17.815   6.671   2.200
  506   1HH2  ARG  65          1HH2      ARG  65 -20.463   8.539   0.885
  507   2HH2  ARG  65          2HH2      ARG  65 -19.928   7.531   2.198
  508    H    ALA  66           H        ALA  66 -16.245  11.334  -5.497
  509    HA   ALA  66           HA       ALA  66 -18.438  10.254  -6.948
  510   1HB   ALA  66          1HB       ALA  66 -17.923  12.647  -7.006
  511   2HB   ALA  66          2HB       ALA  66 -17.951  11.943  -8.624
  512   3HB   ALA  66          3HB       ALA  66 -16.410  12.290  -7.840
  513    H    SER  67           H        SER  67 -15.080   9.672  -6.858
  514    HA   SER  67           HA       SER  67 -15.161   8.101  -9.330
  515   1HB   SER  67          1HB       SER  67 -12.814   8.726  -7.518
  516   2HB   SER  67          2HB       SER  67 -12.728   7.857  -9.050
  517    HG   SER  67           HG       SER  67 -13.609  10.540  -8.712
  518    H    LYS  68           H        LYS  68 -15.282   7.999  -5.957
  519    HA   LYS  68           HA       LYS  68 -15.870   6.345  -4.517
  520   1HB   LYS  68          1HB       LYS  68 -17.263   5.659  -6.548
  521   2HB   LYS  68          2HB       LYS  68 -15.974   4.527  -6.907
  522   1HG   LYS  68          1HG       LYS  68 -17.521   3.236  -5.820
  523   2HG   LYS  68          2HG       LYS  68 -16.381   3.647  -4.545
  524   1HD   LYS  68          1HD       LYS  68 -18.887   5.235  -5.017
  525   2HD   LYS  68          2HD       LYS  68 -18.862   3.797  -3.996
  526   1HE   LYS  68          1HE       LYS  68 -17.026   4.881  -2.668
  527   2HE   LYS  68          2HE       LYS  68 -17.313   6.357  -3.598
  528   1HZ   LYS  68          1HZ       LYS  68 -18.545   6.500  -1.578
  529   2HZ   LYS  68          2HZ       LYS  68 -19.209   4.963  -1.788
  530   3HZ   LYS  68          3HZ       LYS  68 -19.676   6.228  -2.812
  531    H    VAL  69           H        VAL  69 -13.157   6.955  -5.210
  532    HA   VAL  69           HA       VAL  69 -11.877   4.394  -4.604
  533    HB   VAL  69           HB       VAL  69 -10.478   6.475  -6.238
  534   1HG1  VAL  69          1HG1      VAL  69  -9.127   4.823  -5.081
  535   2HG1  VAL  69          2HG1      VAL  69  -9.008   4.631  -6.831
  536   3HG1  VAL  69          3HG1      VAL  69 -10.010   3.527  -5.887
  537   1HG2  VAL  69          1HG2      VAL  69 -12.434   5.829  -7.560
  538   2HG2  VAL  69          2HG2      VAL  69 -12.014   4.127  -7.353
  539   3HG2  VAL  69          3HG2      VAL  69 -10.952   5.190  -8.276
  540    H    TYR  70           H        TYR  70 -10.794   4.550  -2.822
  541    HA   TYR  70           HA       TYR  70  -9.596   7.078  -2.019
  542   1HB   TYR  70          1HB       TYR  70  -9.394   4.499  -0.507
  543   2HB   TYR  70          2HB       TYR  70  -9.155   6.126   0.098
  544    HD1  TYR  70           HD1      TYR  70 -11.011   3.769   1.093
  545    HD2  TYR  70           HD2      TYR  70 -11.667   7.338  -1.118
  546    HE1  TYR  70           HE1      TYR  70 -13.340   3.811   1.865
  547    HE2  TYR  70           HE2      TYR  70 -13.997   7.393  -0.347
  548    HH   TYR  70           HH       TYR  70 -15.692   5.907   0.499
  549    H    LEU  71           H        LEU  71  -7.711   7.350  -2.862
  550    HA   LEU  71           HA       LEU  71  -6.155   5.042  -3.682
  551   1HB   LEU  71          1HB       LEU  71  -6.240   6.560  -5.502
  552   2HB   LEU  71          2HB       LEU  71  -5.880   7.937  -4.466
  553    HG   LEU  71           HG       LEU  71  -3.625   6.969  -4.032
  554   1HD1  LEU  71          1HD1      LEU  71  -4.136   4.635  -4.494
  555   2HD1  LEU  71          2HD1      LEU  71  -2.773   5.200  -5.462
  556   3HD1  LEU  71          3HD1      LEU  71  -4.366   5.020  -6.202
  557   1HD2  LEU  71          1HD2      LEU  71  -2.664   7.520  -6.202
  558   2HD2  LEU  71          2HD2      LEU  71  -3.876   8.696  -5.690
  559   3HD2  LEU  71          3HD2      LEU  71  -4.278   7.493  -6.916
  560    H    PHE  72           H        PHE  72  -5.134   4.359  -2.074
  561    HA   PHE  72           HA       PHE  72  -3.589   6.064  -0.352
  562   1HB   PHE  72          1HB       PHE  72  -3.859   3.110  -0.645
  563   2HB   PHE  72          2HB       PHE  72  -2.803   3.848   0.545
  564    HD1  PHE  72           HD1      PHE  72  -6.210   2.975  -0.345
  565    HD2  PHE  72           HD2      PHE  72  -3.778   5.081   2.446
  566    HE1  PHE  72           HE1      PHE  72  -8.100   3.067   1.228
  567    HE2  PHE  72           HE2      PHE  72  -5.664   5.177   4.017
  568    HZ   PHE  72           HZ       PHE  72  -7.820   4.181   3.428
  569    H    GLU  73           H        GLU  73  -1.842   6.781  -1.098
  570    HA   GLU  73           HA       GLU  73  -0.384   5.301  -3.147
  571   1HB   GLU  73          1HB       GLU  73   0.344   7.601  -3.988
  572   2HB   GLU  73          2HB       GLU  73  -1.260   7.025  -4.396
  573   1HG   GLU  73          1HG       GLU  73  -2.269   8.449  -2.774
  574   2HG   GLU  73          2HG       GLU  73  -0.698   8.881  -2.098
  575    H    LEU  74           H        LEU  74   1.519   4.846  -2.659
  576    HA   LEU  74           HA       LEU  74   2.761   6.004  -0.334
  577   1HB   LEU  74          1HB       LEU  74   3.709   3.797  -2.137
  578   2HB   LEU  74          2HB       LEU  74   4.510   4.287  -0.664
  579    HG   LEU  74           HG       LEU  74   2.315   2.466  -1.090
  580   1HD1  LEU  74          1HD1      LEU  74   2.980   1.671   1.117
  581   2HD1  LEU  74          2HD1      LEU  74   4.051   3.071   1.270
  582   3HD1  LEU  74          3HD1      LEU  74   4.347   1.864   0.015
  583   1HD2  LEU  74          1HD2      LEU  74   0.989   3.040   0.892
  584   2HD2  LEU  74          2HD2      LEU  74   0.888   4.290  -0.351
  585   3HD2  LEU  74          3HD2      LEU  74   1.917   4.531   1.066
  586    H    HIS  75           H        HIS  75   4.259   7.335  -0.453
  587    HA   HIS  75           HA       HIS  75   5.735   7.670  -2.982
  588   1HB   HIS  75          1HB       HIS  75   5.224   9.747  -0.810
  589   2HB   HIS  75          2HB       HIS  75   6.347   9.970  -2.144
  590    HD1  HIS  75           HD1      HIS  75   4.929  12.088  -2.789
  591    HD2  HIS  75           HD2      HIS  75   2.912   8.460  -3.106
  592    HE1  HIS  75           HE1      HIS  75   2.860  12.575  -4.136
  593    HE2  HIS  75           HE2      HIS  75   1.526  10.435  -4.057
  594    H    ILE  76           H        ILE  76   7.256   6.213  -2.548
  595    HA   ILE  76           HA       ILE  76   8.593   6.468   0.044
  596    HB   ILE  76           HB       ILE  76   8.244   4.010  -1.604
  597   1HG1  ILE  76          1HG1      ILE  76   6.941   4.715   1.031
  598   2HG1  ILE  76          2HG1      ILE  76   6.113   4.660  -0.558
  599   1HG2  ILE  76          1HG2      ILE  76   9.473   4.423   1.106
  600   2HG2  ILE  76          2HG2      ILE  76  10.326   3.977  -0.372
  601   3HG2  ILE  76          3HG2      ILE  76   9.185   2.850   0.364
  602   1HD1  ILE  76          1HD1      ILE  76   6.549   2.335  -0.785
  603   2HD1  ILE  76          2HD1      ILE  76   5.781   2.633   0.773
  604   3HD1  ILE  76          3HD1      ILE  76   7.512   2.320   0.692
  605    H    THR  77           H        THR  77  10.279   7.516  -0.447
  606    HA   THR  77           HA       THR  77  11.887   6.751  -2.688
  607    HB   THR  77           HB       THR  77  12.812   8.963  -2.743
  608    HG1  THR  77           HG1      THR  77  12.684   9.639  -0.609
  609   1HG2  THR  77          1HG2      THR  77   9.822   9.154  -2.580
  610   2HG2  THR  77          2HG2      THR  77  10.690   8.410  -3.922
  611   3HG2  THR  77          3HG2      THR  77  10.904  10.129  -3.574
  612    H    ASP  78           H        ASP  78  13.841   6.555  -2.432
  613    HA   ASP  78           HA       ASP  78  15.795   5.830  -1.625
  614   1HB   ASP  78          1HB       ASP  78  14.961   7.590   0.606
  615   2HB   ASP  78          2HB       ASP  78  16.495   6.757   0.533
  616    H    ALA  79           H        ALA  79  15.069   3.868  -1.558
  617    HA   ALA  79           HA       ALA  79  13.794   2.654   0.671
  618   1HB   ALA  79          1HB       ALA  79  15.137   1.412  -1.728
  619   2HB   ALA  79          2HB       ALA  79  13.422   1.796  -1.581
  620   3HB   ALA  79          3HB       ALA  79  14.143   0.555  -0.553
  621    H    GLN  80           H        GLN  80  14.742   1.992   2.421
  622    HA   GLN  80           HA       GLN  80  17.512   2.121   2.925
  623   1HB   GLN  80          1HB       GLN  80  16.140   2.225   4.831
  624   2HB   GLN  80          2HB       GLN  80  15.126   0.897   4.293
  625   1HG   GLN  80          1HG       GLN  80  16.215  -0.267   5.839
  626   2HG   GLN  80          2HG       GLN  80  17.484  -0.375   4.621
  627   1HE2  GLN  80          1HE2      GLN  80  19.377   0.787   4.916
  628   2HE2  GLN  80          2HE2      GLN  80  19.761   1.600   6.393
  629    HA   PRO  81           HA       PRO  81  18.718  -1.661   0.894
  630   1HB   PRO  81          1HB       PRO  81  21.014  -2.121   2.379
  631   2HB   PRO  81          2HB       PRO  81  20.935  -1.085   0.949
  632   1HG   PRO  81          1HG       PRO  81  20.895  -0.333   3.839
  633   2HG   PRO  81          2HG       PRO  81  21.675   0.485   2.473
  634   1HD   PRO  81          1HD       PRO  81  19.361   1.371   3.544
  635   2HD   PRO  81          2HD       PRO  81  19.720   1.521   1.811
  636    H    ALA  82           H        ALA  82  18.596  -3.860   1.380
  637    HA   ALA  82           HA       ALA  82  17.771  -5.690   2.428
  638   1HB   ALA  82          1HB       ALA  82  19.650  -5.388   3.972
  639   2HB   ALA  82          2HB       ALA  82  18.227  -6.034   4.792
  640   3HB   ALA  82          3HB       ALA  82  18.650  -4.333   4.974
  641    H    PHE  83           H        PHE  83  16.223  -2.998   2.207
  642    HA   PHE  83           HA       PHE  83  14.165  -3.208   4.168
  643   1HB   PHE  83          1HB       PHE  83  14.844  -1.389   2.148
  644   2HB   PHE  83          2HB       PHE  83  13.306  -2.051   1.636
  645    HD1  PHE  83           HD1      PHE  83  13.453  -1.951   5.222
  646    HD2  PHE  83           HD2      PHE  83  12.831   0.482   1.766
  647    HE1  PHE  83           HE1      PHE  83  12.299  -0.284   6.591
  648    HE2  PHE  83           HE2      PHE  83  11.648   2.141   3.152
  649    HZ   PHE  83           HZ       PHE  83  11.405   1.753   5.566
  650    H    THR  84           H        THR  84  14.846  -4.715   1.137
  651    HA   THR  84           HA       THR  84  13.290  -5.342  -0.523
  652    HB   THR  84           HB       THR  84  13.619  -7.510   1.498
  653    HG1  THR  84           HG1      THR  84  15.599  -7.745   0.690
  654   1HG2  THR  84          1HG2      THR  84  11.959  -8.166  -0.144
  655   2HG2  THR  84          2HG2      THR  84  13.471  -8.993  -0.527
  656   3HG2  THR  84          3HG2      THR  84  12.982  -7.570  -1.456
  657    H    GLY  85           H        GLY  85  11.552  -4.142  -0.387
  658   1HA   GLY  85          1HA       GLY  85   9.935  -3.974   1.873
  659   2HA   GLY  85          2HA       GLY  85   9.666  -3.167   0.352
  660    H    GLY  86           H        GLY  86   8.946  -5.723   2.329
  661   1HA   GLY  86          1HA       GLY  86   6.995  -6.831   0.488
  662   2HA   GLY  86          2HA       GLY  86   7.341  -7.414   2.104
  663    H    TYR  87           H        TYR  87   6.095  -4.698   0.385
  664    HA   TYR  87           HA       TYR  87   4.524  -3.736   2.592
  665   1HB   TYR  87          1HB       TYR  87   4.539  -2.989  -0.345
  666   2HB   TYR  87          2HB       TYR  87   3.691  -2.116   0.924
  667    HD1  TYR  87           HD1      TYR  87   7.111  -3.162  -0.158
  668    HD2  TYR  87           HD2      TYR  87   4.760  -0.431   2.107
  669    HE1  TYR  87           HE1      TYR  87   9.094  -1.748   0.192
  670    HE2  TYR  87           HE2      TYR  87   6.742   0.955   2.485
  671    HH   TYR  87           HH       TYR  87   9.598   0.622   0.754
  672    H    ARG  88           H        ARG  88   2.497  -4.599   3.075
  673    HA   ARG  88           HA       ARG  88   1.164  -6.101   0.924
  674   1HB   ARG  88          1HB       ARG  88   1.543  -6.990   3.787
  675   2HB   ARG  88          2HB       ARG  88   0.511  -7.802   2.620
  676   1HG   ARG  88          1HG       ARG  88   2.501  -8.167   1.184
  677   2HG   ARG  88          2HG       ARG  88   3.494  -7.469   2.461
  678   1HD   ARG  88          1HD       ARG  88   2.848  -9.222   3.985
  679   2HD   ARG  88          2HD       ARG  88   1.728  -9.884   2.797
  680    HE   ARG  88           HE       ARG  88   4.551  -9.741   2.063
  681   1HH1  ARG  88          1HH1      ARG  88   1.825 -11.669   3.095
  682   2HH1  ARG  88          2HH1      ARG  88   2.569 -13.186   2.665
  683   1HH2  ARG  88          1HH2      ARG  88   5.533 -11.726   1.466
  684   2HH2  ARG  88          2HH2      ARG  88   4.669 -13.211   1.724
  685    H    CYS  89           H        CYS  89  -0.722  -5.238   0.523
  686    HA   CYS  89           HA       CYS  89  -2.069  -3.666   2.580
  687   1HB   CYS  89          1HB       CYS  89  -3.061  -4.068  -0.216
  688   2HB   CYS  89          2HB       CYS  89  -3.356  -2.712   0.860
  689    HG   CYS  89           HG       CYS  89  -0.381  -2.223   0.686
  690    H    GLU  90           H        GLU  90  -3.729  -4.421   3.680
  691    HA   GLU  90           HA       GLU  90  -5.309  -6.597   2.504
  692   1HB   GLU  90          1HB       GLU  90  -4.000  -7.554   4.308
  693   2HB   GLU  90          2HB       GLU  90  -4.480  -6.261   5.397
  694   1HG   GLU  90          1HG       GLU  90  -6.794  -7.059   5.310
  695   2HG   GLU  90          2HG       GLU  90  -6.297  -8.366   4.237
  696    H    VAL  91           H        VAL  91  -7.241  -5.773   2.013
  697    HA   VAL  91           HA       VAL  91  -8.268  -3.630   3.727
  698    HB   VAL  91           HB       VAL  91  -8.125  -2.824   1.504
  699   1HG1  VAL  91          1HG1      VAL  91  -8.004  -4.942   0.311
  700   2HG1  VAL  91          2HG1      VAL  91  -9.219  -3.882  -0.406
  701   3HG1  VAL  91          3HG1      VAL  91  -9.718  -5.226   0.622
  702   1HG2  VAL  91          1HG2      VAL  91 -10.479  -2.300   0.978
  703   2HG2  VAL  91          2HG2      VAL  91 -10.108  -2.104   2.687
  704   3HG2  VAL  91          3HG2      VAL  91 -10.995  -3.525   2.136
  705    H    SER  92           H        SER  92 -10.103  -3.738   4.680
  706    HA   SER  92           HA       SER  92 -11.659  -6.217   4.495
  707   1HB   SER  92          1HB       SER  92 -10.162  -6.395   6.445
  708   2HB   SER  92          2HB       SER  92 -10.752  -4.846   7.043
  709    HG   SER  92           HG       SER  92 -11.960  -6.279   8.116
  710    H    THR  93           H        THR  93 -13.520  -5.550   3.730
  711    HA   THR  93           HA       THR  93 -14.801  -3.193   4.966
  712    HB   THR  93           HB       THR  93 -15.470  -4.050   2.208
  713    HG1  THR  93           HG1      THR  93 -13.036  -3.718   2.712
  714   1HG2  THR  93          1HG2      THR  93 -16.729  -2.265   3.323
  715   2HG2  THR  93          2HG2      THR  93 -15.840  -1.659   1.923
  716   3HG2  THR  93          3HG2      THR  93 -15.229  -1.365   3.550
  717    H    LYS  94           H        LYS  94 -17.177  -3.306   4.783
  718    HA   LYS  94           HA       LYS  94 -18.757  -4.749   5.983
  719   1HB   LYS  94          1HB       LYS  94 -20.130  -5.305   3.712
  720   2HB   LYS  94          2HB       LYS  94 -20.130  -3.764   4.542
  721   1HG   LYS  94          1HG       LYS  94 -19.804  -3.247   2.281
  722   2HG   LYS  94          2HG       LYS  94 -18.216  -3.078   3.015
  723   1HD   LYS  94          1HD       LYS  94 -18.209  -4.163   0.783
  724   2HD   LYS  94          2HD       LYS  94 -17.481  -5.133   2.056
  725   1HE   LYS  94          1HE       LYS  94 -19.027  -6.273   0.346
  726   2HE   LYS  94          2HE       LYS  94 -19.196  -6.674   2.047
  727   1HZ   LYS  94          1HZ       LYS  94 -21.123  -5.306   2.211
  728   2HZ   LYS  94          2HZ       LYS  94 -21.321  -6.329   0.875
  729   3HZ   LYS  94          3HZ       LYS  94 -20.912  -4.696   0.645
  730    H    ASP  95           H        ASP  95 -17.792  -6.298   3.005
  731    HA   ASP  95           HA       ASP  95 -17.706  -8.861   4.248
  732   1HB   ASP  95          1HB       ASP  95 -20.088  -8.224   3.426
  733   2HB   ASP  95          2HB       ASP  95 -19.441  -8.564   1.837
  734    H    LYS  96           H        LYS  96 -16.477  -6.640   2.075
  735    HA   LYS  96           HA       LYS  96 -15.632  -8.710   0.256
  736   1HB   LYS  96          1HB       LYS  96 -16.067  -5.860  -0.338
  737   2HB   LYS  96          2HB       LYS  96 -14.493  -6.436  -0.787
  738   1HG   LYS  96          1HG       LYS  96 -15.668  -8.393  -1.883
  739   2HG   LYS  96          2HG       LYS  96 -17.146  -7.453  -1.687
  740   1HD   LYS  96          1HD       LYS  96 -16.583  -5.982  -3.294
  741   2HD   LYS  96          2HD       LYS  96 -14.865  -6.040  -2.898
  742   1HE   LYS  96          1HE       LYS  96 -15.380  -6.962  -5.118
  743   2HE   LYS  96          2HE       LYS  96 -14.625  -8.136  -4.048
  744   1HZ   LYS  96          1HZ       LYS  96 -17.549  -8.016  -4.298
  745   2HZ   LYS  96          2HZ       LYS  96 -16.572  -9.337  -3.864
  746   3HZ   LYS  96          3HZ       LYS  96 -16.637  -8.819  -5.478
  747    H    PHE  97           H        PHE  97 -13.675  -9.226   0.055
  748    HA   PHE  97           HA       PHE  97 -11.670  -7.969   1.763
  749   1HB   PHE  97          1HB       PHE  97 -12.707  -9.947   2.852
  750   2HB   PHE  97          2HB       PHE  97 -12.105 -10.945   1.537
  751    HD1  PHE  97           HD1      PHE  97 -11.223  -9.110   4.563
  752    HD2  PHE  97           HD2      PHE  97  -9.720 -11.376   1.290
  753    HE1  PHE  97           HE1      PHE  97  -9.081  -9.399   5.746
  754    HE2  PHE  97           HE2      PHE  97  -7.583 -11.673   2.467
  755    HZ   PHE  97           HZ       PHE  97  -7.249 -10.628   4.688
  756    H    ASP  98           H        ASP  98  -9.663  -7.920   0.981
  757    HA   ASP  98           HA       ASP  98  -8.712  -9.715  -1.029
  758   1HB   ASP  98          1HB       ASP  98 -10.083  -7.784  -2.223
  759   2HB   ASP  98          2HB       ASP  98  -8.598  -6.875  -1.957
  760    H    CYS  99           H        CYS  99  -6.422  -9.132  -1.620
  761    HA   CYS  99           HA       CYS  99  -5.067  -7.394   0.237
  762   1HB   CYS  99          1HB       CYS  99  -3.605  -9.273   1.087
  763   2HB   CYS  99          2HB       CYS  99  -5.251  -9.247   1.708
  764    HG   CYS  99           HG       CYS  99  -5.601 -11.111  -0.805
  765    H    SER 100           H        SER 100  -2.950  -6.974  -0.305
  766    HA   SER 100           HA       SER 100  -2.034  -8.149  -2.841
  767   1HB   SER 100          1HB       SER 100  -2.757  -5.989  -3.437
  768   2HB   SER 100          2HB       SER 100  -1.940  -5.233  -2.077
  769    HG   SER 100           HG       SER 100  -0.509  -4.927  -3.647
  770    H    ASN 101           H        ASN 101   0.082  -8.274  -3.201
  771    HA   ASN 101           HA       ASN 101   1.898  -7.896  -0.946
  772   1HB   ASN 101          1HB       ASN 101   2.897 -10.216  -1.547
  773   2HB   ASN 101          2HB       ASN 101   1.448 -10.155  -0.560
  774   1HD2  ASN 101          1HD2      ASN 101   1.527  -9.674  -4.058
  775   2HD2  ASN 101          2HD2      ASN 101   0.633 -11.108  -4.449
  776    H    PHE 102           H        PHE 102   3.563  -6.687  -1.670
  777    HA   PHE 102           HA       PHE 102   4.627  -7.263  -4.311
  778   1HB   PHE 102          1HB       PHE 102   4.614  -4.800  -4.843
  779   2HB   PHE 102          2HB       PHE 102   3.054  -5.607  -4.902
  780    HD1  PHE 102           HD1      PHE 102   5.001  -2.983  -3.429
  781    HD2  PHE 102           HD2      PHE 102   1.431  -5.257  -3.027
  782    HE1  PHE 102           HE1      PHE 102   4.069  -1.259  -1.955
  783    HE2  PHE 102           HE2      PHE 102   0.491  -3.521  -1.548
  784    HZ   PHE 102           HZ       PHE 102   1.815  -1.529  -1.011
  785    H    ASN 103           H        ASN 103   6.781  -7.013  -4.390
  786    HA   ASN 103           HA       ASN 103   8.042  -6.302  -1.854
  787   1HB   ASN 103          1HB       ASN 103   9.078  -8.093  -4.018
  788   2HB   ASN 103          2HB       ASN 103   9.754  -7.861  -2.442
  789   1HD2  ASN 103          1HD2      ASN 103   8.739 -10.243  -3.877
  790   2HD2  ASN 103          2HD2      ASN 103   7.616 -10.970  -2.783
  791    H    LEU 104           H        LEU 104   9.556  -4.913  -1.809
  792    HA   LEU 104           HA       LEU 104  10.442  -3.615  -4.281
  793   1HB   LEU 104          1HB       LEU 104   9.827  -1.791  -3.100
  794   2HB   LEU 104          2HB       LEU 104   9.956  -2.599  -1.541
  795    HG   LEU 104           HG       LEU 104  12.523  -2.278  -2.593
  796   1HD1  LEU 104          1HD1      LEU 104  11.712  -0.672  -4.135
  797   2HD1  LEU 104          2HD1      LEU 104  12.589   0.183  -2.857
  798   3HD1  LEU 104          3HD1      LEU 104  10.823   0.162  -2.856
  799   1HD2  LEU 104          1HD2      LEU 104  11.528  -2.147  -0.171
  800   2HD2  LEU 104          2HD2      LEU 104  11.476  -0.422  -0.529
  801   3HD2  LEU 104          3HD2      LEU 104  13.014  -1.293  -0.585
  802    H    THR 105           H        THR 105  12.276  -4.409  -4.994
  803    HA   THR 105           HA       THR 105  14.167  -5.591  -3.127
  804    HB   THR 105           HB       THR 105  14.414  -5.488  -6.128
  805    HG1  THR 105           HG1      THR 105  12.447  -6.582  -5.087
  806   1HG2  THR 105          1HG2      THR 105  16.460  -6.036  -4.909
  807   2HG2  THR 105          2HG2      THR 105  15.854  -7.451  -5.769
  808   3HG2  THR 105          3HG2      THR 105  15.605  -7.305  -4.029
  809    H    VAL 106           H        VAL 106  15.199  -3.963  -2.169
  810    HA   VAL 106           HA       VAL 106  16.167  -1.708  -3.601
  811    HB   VAL 106           HB       VAL 106  15.375  -1.288  -1.356
  812   1HG1  VAL 106          1HG1      VAL 106  17.234  -3.453  -0.610
  813   2HG1  VAL 106          2HG1      VAL 106  15.550  -3.176  -0.136
  814   3HG1  VAL 106          3HG1      VAL 106  16.840  -2.178   0.541
  815   1HG2  VAL 106          1HG2      VAL 106  18.338  -0.967  -1.610
  816   2HG2  VAL 106          2HG2      VAL 106  17.335  -0.148  -0.415
  817   3HG2  VAL 106          3HG2      VAL 106  17.098   0.178  -2.137
  818    H    HIS 107           H        HIS 107  17.819  -1.748  -4.600
  819    HA   HIS 107           HA       HIS 107  19.803  -3.820  -4.382
  820   1HB   HIS 107          1HB       HIS 107  19.379  -1.623  -6.411
  821   2HB   HIS 107          2HB       HIS 107  20.730  -2.752  -6.470
  822    HD1  HIS 107           HD1      HIS 107  19.928  -5.377  -6.519
  823    HD2  HIS 107           HD2      HIS 107  17.181  -2.505  -7.758
  824    HE1  HIS 107           HE1      HIS 107  18.181  -6.613  -7.827
  825    HE2  HIS 107           HE2      HIS 107  16.652  -4.848  -8.729
  826    H    GLU 108           H        GLU 108  20.914  -3.399  -2.668
  827    HA   GLU 108           HA       GLU 108  22.182  -0.911  -2.081
  828   1HB   GLU 108          1HB       GLU 108  21.683  -2.732  -0.416
  829   2HB   GLU 108          2HB       GLU 108  22.988  -3.664  -1.131
  830   1HG   GLU 108          1HG       GLU 108  24.547  -1.830  -0.557
  831   2HG   GLU 108          2HG       GLU 108  23.219  -1.020   0.276
  832    H    ALA 109           H        ALA 109  23.520  -4.029  -3.103
  833    HA   ALA 109           HA       ALA 109  25.195  -2.738  -5.081
  834   1HB   ALA 109          1HB       ALA 109  27.282  -3.717  -4.214
  835   2HB   ALA 109          2HB       ALA 109  26.414  -4.266  -2.779
  836   3HB   ALA 109          3HB       ALA 109  26.593  -2.541  -3.098
  837    H    MET 110           H        MET 110  23.011  -4.777  -4.650
  838    HA   MET 110           HA       MET 110  24.084  -6.889  -6.319
  839   1HB   MET 110          1HB       MET 110  23.376  -8.684  -4.891
  840   2HB   MET 110          2HB       MET 110  24.409  -7.631  -3.939
  841   1HG   MET 110          1HG       MET 110  21.401  -7.548  -3.873
  842   2HG   MET 110          2HG       MET 110  22.396  -8.470  -2.747
  843   1HE   MET 110          1HE       MET 110  24.866  -6.555  -2.235
  844   2HE   MET 110          2HE       MET 110  23.995  -7.411  -0.963
  845   3HE   MET 110          3HE       MET 110  24.306  -5.681  -0.809
  Start of MODEL   27
    1    H    ASP   1           H        ASP   1 -17.864 -12.323   1.056
    2    HA   ASP   1           HA       ASP   1 -16.848 -10.264   0.693
    3   1HB   ASP   1          1HB       ASP   1 -15.145  -9.863  -0.935
    4   2HB   ASP   1          2HB       ASP   1 -14.626 -11.226   0.049
    5    H    ASP   2           H        ASP   2 -18.083  -8.867  -0.462
    6    HA   ASP   2           HA       ASP   2 -20.057  -9.996  -2.249
    7   1HB   ASP   2          1HB       ASP   2 -19.638  -7.549  -0.615
    8   2HB   ASP   2          2HB       ASP   2 -20.891  -7.572  -1.846
    9    HA   PRO   3           HA       PRO   3 -18.733  -7.822  -5.965
   10   1HB   PRO   3          1HB       PRO   3 -21.477  -6.788  -6.253
   11   2HB   PRO   3          2HB       PRO   3 -20.535  -7.812  -7.343
   12   1HG   PRO   3          1HG       PRO   3 -22.581  -8.801  -5.930
   13   2HG   PRO   3          2HG       PRO   3 -21.120  -9.757  -6.234
   14   1HD   PRO   3          1HD       PRO   3 -21.940  -8.282  -3.758
   15   2HD   PRO   3          2HD       PRO   3 -21.188  -9.885  -3.921
   16    H    ILE   4           H        ILE   4 -17.490  -6.344  -4.781
   17    HA   ILE   4           HA       ILE   4 -18.622  -3.613  -4.501
   18    HB   ILE   4           HB       ILE   4 -16.774  -5.187  -2.778
   19   1HG1  ILE   4          1HG1      ILE   4 -17.964  -3.803  -1.052
   20   2HG1  ILE   4          2HG1      ILE   4 -18.902  -3.085  -2.362
   21   1HG2  ILE   4          1HG2      ILE   4 -16.525  -2.187  -3.109
   22   2HG2  ILE   4          2HG2      ILE   4 -15.288  -3.388  -3.481
   23   3HG2  ILE   4          3HG2      ILE   4 -15.792  -3.130  -1.814
   24   1HD1  ILE   4          1HD1      ILE   4 -20.159  -4.846  -1.342
   25   2HD1  ILE   4          2HD1      ILE   4 -18.818  -5.975  -1.566
   26   3HD1  ILE   4          3HD1      ILE   4 -19.686  -5.340  -2.969
   27    H    GLY   5           H        GLY   5 -15.601  -5.377  -4.933
   28   1HA   GLY   5          1HA       GLY   5 -14.040  -5.084  -6.694
   29   2HA   GLY   5          2HA       GLY   5 -14.844  -3.575  -7.107
   30    H    LEU   6           H        LEU   6 -13.859  -4.772  -4.031
   31    HA   LEU   6           HA       LEU   6 -13.008  -2.410  -2.914
   32   1HB   LEU   6          1HB       LEU   6 -13.388  -4.939  -2.068
   33   2HB   LEU   6          2HB       LEU   6 -11.636  -4.921  -2.124
   34    HG   LEU   6           HG       LEU   6 -11.585  -3.073  -0.558
   35   1HD1  LEU   6          1HD1      LEU   6 -13.749  -2.056  -1.324
   36   2HD1  LEU   6          2HD1      LEU   6 -13.510  -2.116   0.421
   37   3HD1  LEU   6          3HD1      LEU   6 -14.564  -3.290  -0.360
   38   1HD2  LEU   6          1HD2      LEU   6 -13.361  -5.317   0.320
   39   2HD2  LEU   6          2HD2      LEU   6 -12.462  -4.234   1.389
   40   3HD2  LEU   6          3HD2      LEU   6 -11.596  -5.327   0.305
   41    H    PHE   7           H        PHE   7 -11.256  -4.827  -4.726
   42    HA   PHE   7           HA       PHE   7  -8.831  -3.277  -4.604
   43   1HB   PHE   7          1HB       PHE   7  -9.484  -6.027  -4.961
   44   2HB   PHE   7          2HB       PHE   7  -8.561  -5.478  -6.365
   45    HD1  PHE   7           HD1      PHE   7  -8.285  -4.217  -2.898
   46    HD2  PHE   7           HD2      PHE   7  -6.523  -6.543  -5.991
   47    HE1  PHE   7           HE1      PHE   7  -6.210  -4.366  -1.594
   48    HE2  PHE   7           HE2      PHE   7  -4.449  -6.695  -4.695
   49    HZ   PHE   7           HZ       PHE   7  -4.288  -5.609  -2.500
   50    H    VAL   8           H        VAL   8  -9.613  -1.486  -5.646
   51    HA   VAL   8           HA       VAL   8 -10.588  -1.516  -8.319
   52    HB   VAL   8           HB       VAL   8  -9.285   0.797  -6.871
   53   1HG1  VAL   8          1HG1      VAL   8 -11.278   0.712  -9.133
   54   2HG1  VAL   8          2HG1      VAL   8  -9.586   1.203  -9.234
   55   3HG1  VAL   8          3HG1      VAL   8 -10.733   2.173  -8.309
   56   1HG2  VAL   8          1HG2      VAL   8 -11.032  -0.126  -5.461
   57   2HG2  VAL   8          2HG2      VAL   8 -12.170  -0.080  -6.808
   58   3HG2  VAL   8          3HG2      VAL   8 -11.544   1.425  -6.133
   59    H    MET   9           H        MET   9  -7.464  -0.851  -6.820
   60    HA   MET   9           HA       MET   9  -6.106  -1.930  -9.114
   61   1HB   MET   9          1HB       MET   9  -6.374   0.467  -9.720
   62   2HB   MET   9          2HB       MET   9  -5.475   0.882  -8.270
   63   1HG   MET   9          1HG       MET   9  -4.022   0.976 -10.179
   64   2HG   MET   9          2HG       MET   9  -3.547  -0.356  -9.127
   65   1HE   MET   9          1HE       MET   9  -2.064  -1.343 -11.090
   66   2HE   MET   9          2HE       MET   9  -2.566  -0.059 -12.193
   67   3HE   MET   9          3HE       MET   9  -2.687  -1.747 -12.690
   68    H    ARG  10           H        ARG  10  -4.409  -2.986  -8.461
   69    HA   ARG  10           HA       ARG  10  -3.494  -2.633  -5.707
   70   1HB   ARG  10          1HB       ARG  10  -2.546  -4.907  -5.962
   71   2HB   ARG  10          2HB       ARG  10  -4.284  -4.885  -6.218
   72   1HG   ARG  10          1HG       ARG  10  -3.931  -4.930  -8.635
   73   2HG   ARG  10          2HG       ARG  10  -2.185  -4.951  -8.376
   74   1HD   ARG  10          1HD       ARG  10  -2.919  -7.190  -8.815
   75   2HD   ARG  10          2HD       ARG  10  -2.451  -7.075  -7.119
   76    HE   ARG  10           HE       ARG  10  -4.729  -7.201  -6.508
   77   1HH1  ARG  10          1HH1      ARG  10  -4.221  -7.554  -9.958
   78   2HH1  ARG  10          2HH1      ARG  10  -5.719  -8.397 -10.209
   79   1HH2  ARG  10          1HH2      ARG  10  -6.708  -8.285  -6.853
   80   2HH2  ARG  10          2HH2      ARG  10  -7.138  -8.795  -8.454
   81    HA   PRO  11           HA       PRO  11   0.262  -1.056  -7.493
   82   1HB   PRO  11          1HB       PRO  11   1.799  -1.171  -5.214
   83   2HB   PRO  11          2HB       PRO  11   0.726   0.155  -5.630
   84   1HG   PRO  11          1HG       PRO  11   0.430  -1.908  -3.612
   85   2HG   PRO  11          2HG       PRO  11  -0.380  -0.344  -3.744
   86   1HD   PRO  11          1HD       PRO  11  -1.477  -2.886  -4.339
   87   2HD   PRO  11          2HD       PRO  11  -2.211  -1.304  -4.653
   88    H    GLN  12           H        GLN  12   2.462  -1.777  -7.856
   89    HA   GLN  12           HA       GLN  12   2.685  -4.687  -7.615
   90   1HB   GLN  12          1HB       GLN  12   3.666  -2.883  -9.828
   91   2HB   GLN  12          2HB       GLN  12   3.772  -4.636  -9.783
   92   1HG   GLN  12          1HG       GLN  12   1.149  -3.202  -9.616
   93   2HG   GLN  12          2HG       GLN  12   1.896  -3.621 -11.161
   94   1HE2  GLN  12          1HE2      GLN  12   0.615  -4.966  -8.150
   95   2HE2  GLN  12          2HE2      GLN  12   0.291  -6.543  -8.794
   96    H    ASP  13           H        ASP  13   5.228  -5.178  -8.201
   97    HA   ASP  13           HA       ASP  13   6.541  -4.355  -5.918
   98   1HB   ASP  13          1HB       ASP  13   7.747  -5.691  -8.328
   99   2HB   ASP  13          2HB       ASP  13   8.161  -5.888  -6.641
  100    H    GLY  14           H        GLY  14   9.042  -4.441  -7.394
  101   1HA   GLY  14          1HA       GLY  14   9.772  -2.415  -8.956
  102   2HA   GLY  14          2HA       GLY  14   9.419  -1.577  -7.459
  103    H    GLU  15           H        GLU  15  11.799  -2.411  -9.110
  104    HA   GLU  15           HA       GLU  15  13.462  -3.328  -6.865
  105   1HB   GLU  15          1HB       GLU  15  14.098  -3.441  -9.826
  106   2HB   GLU  15          2HB       GLU  15  15.069  -4.114  -8.524
  107   1HG   GLU  15          1HG       GLU  15  13.419  -5.775  -8.066
  108   2HG   GLU  15          2HG       GLU  15  12.279  -5.020  -9.185
  109    H    VAL  16           H        VAL  16  14.718  -1.750  -6.012
  110    HA   VAL  16           HA       VAL  16  15.404   0.496  -7.645
  111    HB   VAL  16           HB       VAL  16  14.550   2.049  -6.170
  112   1HG1  VAL  16          1HG1      VAL  16  12.499  -0.140  -6.175
  113   2HG1  VAL  16          2HG1      VAL  16  12.769   1.039  -7.457
  114   3HG1  VAL  16          3HG1      VAL  16  12.177   1.570  -5.883
  115   1HG2  VAL  16          1HG2      VAL  16  15.391   1.079  -4.102
  116   2HG2  VAL  16          2HG2      VAL  16  14.074  -0.095  -4.119
  117   3HG2  VAL  16          3HG2      VAL  16  13.724   1.623  -3.919
  118    H    THR  17           H        THR  17  17.081   1.605  -6.739
  119    HA   THR  17           HA       THR  17  18.923  -0.007  -5.177
  120    HB   THR  17           HB       THR  17  19.634   2.746  -6.078
  121    HG1  THR  17           HG1      THR  17  18.702   1.979  -7.968
  122   1HG2  THR  17          1HG2      THR  17  21.258   1.387  -4.853
  123   2HG2  THR  17          2HG2      THR  17  21.808   1.711  -6.498
  124   3HG2  THR  17          3HG2      THR  17  21.141   0.133  -6.087
  125    H    VAL  18           H        VAL  18  19.934   0.886  -3.283
  126    HA   VAL  18           HA       VAL  18  18.255   2.325  -1.550
  127    HB   VAL  18           HB       VAL  18  21.194   2.133  -1.185
  128   1HG1  VAL  18          1HG1      VAL  18  18.925   2.323   0.761
  129   2HG1  VAL  18          2HG1      VAL  18  20.043   3.615   0.324
  130   3HG1  VAL  18          3HG1      VAL  18  20.627   2.196   1.195
  131   1HG2  VAL  18          1HG2      VAL  18  20.233  -0.122  -1.685
  132   2HG2  VAL  18          2HG2      VAL  18  19.220   0.077  -0.246
  133   3HG2  VAL  18          3HG2      VAL  18  20.978   0.024  -0.095
  134    H    GLY  19           H        GLY  19  17.798   4.108  -2.029
  135   1HA   GLY  19          1HA       GLY  19  18.473   6.456  -1.574
  136   2HA   GLY  19          2HA       GLY  19  19.811   6.148  -2.669
  137    H    GLY  20           H        GLY  20  17.090   4.551  -3.940
  138   1HA   GLY  20          1HA       GLY  20  16.699   6.797  -5.750
  139   2HA   GLY  20          2HA       GLY  20  16.198   5.141  -6.001
  140    H    SER  21           H        SER  21  14.240   5.111  -6.088
  141    HA   SER  21           HA       SER  21  12.619   5.865  -3.921
  142   1HB   SER  21          1HB       SER  21  11.013   6.971  -5.458
  143   2HB   SER  21          2HB       SER  21  12.468   7.862  -5.115
  144    HG   SER  21           HG       SER  21  12.058   7.962  -7.320
  145    H    ILE  22           H        ILE  22  10.534   5.077  -4.158
  146    HA   ILE  22           HA       ILE  22   9.865   3.305  -6.270
  147    HB   ILE  22           HB       ILE  22  10.854   1.866  -4.550
  148   1HG1  ILE  22          1HG1      ILE  22   8.972   0.277  -4.423
  149   2HG1  ILE  22          2HG1      ILE  22   7.910   1.538  -5.020
  150   1HG2  ILE  22          1HG2      ILE  22   9.618   1.424  -2.465
  151   2HG2  ILE  22          2HG2      ILE  22   8.577   2.798  -2.836
  152   3HG2  ILE  22          3HG2      ILE  22  10.294   3.049  -2.532
  153   1HD1  ILE  22          1HD1      ILE  22  10.247   0.336  -6.488
  154   2HD1  ILE  22          2HD1      ILE  22   9.211   1.632  -7.089
  155   3HD1  ILE  22          3HD1      ILE  22   8.539   0.026  -6.802
  156    H    THR  23           H        THR  23   7.771   2.958  -6.326
  157    HA   THR  23           HA       THR  23   6.021   4.742  -4.846
  158    HB   THR  23           HB       THR  23   5.949   4.807  -7.846
  159    HG1  THR  23           HG1      THR  23   7.181   6.628  -6.037
  160   1HG2  THR  23          1HG2      THR  23   3.849   5.365  -6.749
  161   2HG2  THR  23          2HG2      THR  23   4.554   6.814  -7.466
  162   3HG2  THR  23          3HG2      THR  23   4.672   6.546  -5.727
  163    H    PHE  24           H        PHE  24   4.288   3.778  -4.347
  164    HA   PHE  24           HA       PHE  24   3.193   1.660  -6.072
  165   1HB   PHE  24          1HB       PHE  24   2.865   1.897  -3.075
  166   2HB   PHE  24          2HB       PHE  24   2.310   0.593  -4.098
  167    HD1  PHE  24           HD1      PHE  24   4.148  -0.708  -5.393
  168    HD2  PHE  24           HD2      PHE  24   4.882   1.702  -1.965
  169    HE1  PHE  24           HE1      PHE  24   6.252  -1.920  -4.996
  170    HE2  PHE  24           HE2      PHE  24   6.987   0.494  -1.562
  171    HZ   PHE  24           HZ       PHE  24   7.660  -1.330  -3.040
  172    H    SER  25           H        SER  25   1.021   1.711  -6.319
  173    HA   SER  25           HA       SER  25  -0.517   3.913  -5.228
  174   1HB   SER  25          1HB       SER  25  -1.349   3.172  -7.906
  175   2HB   SER  25          2HB       SER  25  -1.029   4.763  -7.233
  176    HG   SER  25           HG       SER  25   0.773   2.971  -8.470
  177    H    ALA  26           H        ALA  26  -2.182   3.208  -4.284
  178    HA   ALA  26           HA       ALA  26  -3.295   0.557  -4.927
  179   1HB   ALA  26          1HB       ALA  26  -2.440   1.703  -2.298
  180   2HB   ALA  26          2HB       ALA  26  -2.120   0.111  -2.980
  181   3HB   ALA  26          3HB       ALA  26  -3.714   0.496  -2.350
  182    H    ARG  27           H        ARG  27  -5.373   0.648  -5.431
  183    HA   ARG  27           HA       ARG  27  -6.930   2.967  -4.488
  184   1HB   ARG  27          1HB       ARG  27  -7.419   1.351  -6.987
  185   2HB   ARG  27          2HB       ARG  27  -8.227   2.835  -6.510
  186   1HG   ARG  27          1HG       ARG  27  -6.094   4.040  -6.747
  187   2HG   ARG  27          2HG       ARG  27  -5.337   2.543  -7.302
  188   1HD   ARG  27          1HD       ARG  27  -5.911   3.747  -9.253
  189   2HD   ARG  27          2HD       ARG  27  -7.113   2.464  -9.091
  190    HE   ARG  27           HE       ARG  27  -7.923   4.923  -7.871
  191   1HH1  ARG  27          1HH1      ARG  27  -7.758   3.213 -10.935
  192   2HH1  ARG  27          2HH1      ARG  27  -9.069   4.122 -11.637
  193   1HH2  ARG  27          1HH2      ARG  27  -9.661   6.064  -8.783
  194   2HH2  ARG  27          2HH2      ARG  27 -10.187   5.689 -10.393
  195    H    VAL  28           H        VAL  28  -8.673   2.546  -3.264
  196    HA   VAL  28           HA       VAL  28  -9.780  -0.153  -3.311
  197    HB   VAL  28           HB       VAL  28  -9.604   1.541  -0.828
  198   1HG1  VAL  28          1HG1      VAL  28 -11.488  -0.109  -1.053
  199   2HG1  VAL  28          2HG1      VAL  28 -10.406  -0.401   0.313
  200   3HG1  VAL  28          3HG1      VAL  28 -10.270  -1.384  -1.145
  201   1HG2  VAL  28          1HG2      VAL  28  -7.888  -0.780  -1.684
  202   2HG2  VAL  28          2HG2      VAL  28  -7.884  -0.061  -0.077
  203   3HG2  VAL  28          3HG2      VAL  28  -7.370   0.892  -1.470
  204    H    ALA  29           H        ALA  29 -11.737  -0.232  -3.647
  205    HA   ALA  29           HA       ALA  29 -13.483   1.889  -4.079
  206   1HB   ALA  29          1HB       ALA  29 -14.175  -0.990  -3.496
  207   2HB   ALA  29          2HB       ALA  29 -13.811  -0.322  -5.087
  208   3HB   ALA  29          3HB       ALA  29 -15.243   0.218  -4.212
  209    H    GLY  30           H        GLY  30 -13.967   3.238  -2.575
  210   1HA   GLY  30          1HA       GLY  30 -14.313   3.053   0.127
  211   2HA   GLY  30          2HA       GLY  30 -15.340   4.056  -0.902
  212    H    ALA  31           H        ALA  31 -16.606   2.132  -2.356
  213    HA   ALA  31           HA       ALA  31 -18.396   0.764  -2.418
  214   1HB   ALA  31          1HB       ALA  31 -17.350  -0.844  -0.174
  215   2HB   ALA  31          2HB       ALA  31 -16.296  -0.592  -1.561
  216   3HB   ALA  31          3HB       ALA  31 -17.880  -1.356  -1.797
  217    H    SER  32           H        SER  32 -19.504  -0.868  -0.314
  218    HA   SER  32           HA       SER  32 -20.745   1.208   1.358
  219   1HB   SER  32          1HB       SER  32 -22.075  -1.268   0.224
  220   2HB   SER  32          2HB       SER  32 -22.847  -0.044   1.235
  221    HG   SER  32           HG       SER  32 -23.146   0.175  -1.116
  222    H    LEU  33           H        LEU  33 -19.158   0.755   2.947
  223    HA   LEU  33           HA       LEU  33 -19.773  -1.657   4.519
  224   1HB   LEU  33          1HB       LEU  33 -17.500  -1.853   4.129
  225   2HB   LEU  33          2HB       LEU  33 -17.266  -0.128   4.022
  226    HG   LEU  33           HG       LEU  33 -17.174   0.090   6.372
  227   1HD1  LEU  33          1HD1      LEU  33 -17.662  -2.886   6.566
  228   2HD1  LEU  33          2HD1      LEU  33 -18.793  -1.628   7.068
  229   3HD1  LEU  33          3HD1      LEU  33 -17.261  -1.825   7.921
  230   1HD2  LEU  33          1HD2      LEU  33 -15.220  -1.319   6.959
  231   2HD2  LEU  33          2HD2      LEU  33 -15.075  -0.394   5.472
  232   3HD2  LEU  33          3HD2      LEU  33 -15.422  -2.124   5.401
  233    H    LEU  34           H        LEU  34 -20.127  -1.385   6.729
  234    HA   LEU  34           HA       LEU  34 -21.740   0.591   7.616
  235   1HB   LEU  34          1HB       LEU  34 -21.242  -1.509   8.803
  236   2HB   LEU  34          2HB       LEU  34 -19.700  -0.828   9.298
  237    HG   LEU  34           HG       LEU  34 -21.060   1.054  10.321
  238   1HD1  LEU  34          1HD1      LEU  34 -23.340   0.477  10.997
  239   2HD1  LEU  34          2HD1      LEU  34 -23.248  -0.987  10.020
  240   3HD1  LEU  34          3HD1      LEU  34 -23.172   0.598   9.247
  241   1HD2  LEU  34          1HD2      LEU  34 -21.187  -1.727  11.469
  242   2HD2  LEU  34          2HD2      LEU  34 -21.475  -0.248  12.384
  243   3HD2  LEU  34          3HD2      LEU  34 -19.887  -0.552  11.679
  244    H    LYS  35           H        LYS  35 -18.290   0.558   7.638
  245    HA   LYS  35           HA       LYS  35 -18.193   3.435   8.166
  246   1HB   LYS  35          1HB       LYS  35 -15.888   2.760   9.270
  247   2HB   LYS  35          2HB       LYS  35 -17.376   2.733  10.197
  248   1HG   LYS  35          1HG       LYS  35 -16.431   0.737  10.785
  249   2HG   LYS  35          2HG       LYS  35 -17.481   0.245   9.455
  250   1HD   LYS  35          1HD       LYS  35 -15.646   0.103   7.939
  251   2HD   LYS  35          2HD       LYS  35 -14.576   0.950   9.071
  252   1HE   LYS  35          1HE       LYS  35 -15.755  -1.805   9.414
  253   2HE   LYS  35          2HE       LYS  35 -14.066  -1.413   9.095
  254   1HZ   LYS  35          1HZ       LYS  35 -15.620  -0.854  11.563
  255   2HZ   LYS  35          2HZ       LYS  35 -14.097  -0.174  11.258
  256   3HZ   LYS  35          3HZ       LYS  35 -14.263  -1.854  11.401
  257    HA   PRO  36           HA       PRO  36 -15.422   3.517   4.655
  258   1HB   PRO  36          1HB       PRO  36 -13.096   4.518   6.135
  259   2HB   PRO  36          2HB       PRO  36 -14.049   5.317   4.881
  260   1HG   PRO  36          1HG       PRO  36 -14.117   6.063   7.484
  261   2HG   PRO  36          2HG       PRO  36 -15.503   6.247   6.391
  262   1HD   PRO  36          1HD       PRO  36 -14.983   4.139   8.444
  263   2HD   PRO  36          2HD       PRO  36 -16.502   4.958   8.041
  264    HA   PRO  37           HA       PRO  37 -13.242  -0.384   4.580
  265   1HB   PRO  37          1HB       PRO  37 -11.355   1.289   3.022
  266   2HB   PRO  37          2HB       PRO  37 -11.924  -0.336   2.684
  267   1HG   PRO  37          1HG       PRO  37 -13.006   1.691   1.355
  268   2HG   PRO  37          2HG       PRO  37 -14.077   0.438   2.024
  269   1HD   PRO  37          1HD       PRO  37 -13.591   3.200   2.994
  270   2HD   PRO  37          2HD       PRO  37 -15.068   2.210   3.044
  271    H    VAL  38           H        VAL  38 -11.753  -1.260   5.830
  272    HA   VAL  38           HA       VAL  38  -9.633   0.486   6.787
  273    HB   VAL  38           HB       VAL  38 -10.752  -0.661   8.577
  274   1HG1  VAL  38          1HG1      VAL  38  -9.902  -3.240   7.319
  275   2HG1  VAL  38          2HG1      VAL  38 -11.557  -2.660   7.505
  276   3HG1  VAL  38          3HG1      VAL  38 -10.601  -3.071   8.930
  277   1HG2  VAL  38          1HG2      VAL  38  -8.810  -1.653   9.694
  278   2HG2  VAL  38          2HG2      VAL  38  -8.411  -0.149   8.866
  279   3HG2  VAL  38          3HG2      VAL  38  -7.972  -1.695   8.142
  280    H    VAL  39           H        VAL  39  -8.509   0.535   5.078
  281    HA   VAL  39           HA       VAL  39  -7.216  -1.855   4.118
  282    HB   VAL  39           HB       VAL  39  -6.427   0.892   3.288
  283   1HG1  VAL  39          1HG1      VAL  39  -5.099  -0.955   2.516
  284   2HG1  VAL  39          2HG1      VAL  39  -5.951  -0.221   1.154
  285   3HG1  VAL  39          3HG1      VAL  39  -6.530  -1.738   1.844
  286   1HG2  VAL  39          1HG2      VAL  39  -8.789  -0.542   2.091
  287   2HG2  VAL  39          2HG2      VAL  39  -8.139   1.024   1.595
  288   3HG2  VAL  39          3HG2      VAL  39  -8.899   0.841   3.176
  289    H    LYS  40           H        LYS  40  -5.652  -2.424   5.272
  290    HA   LYS  40           HA       LYS  40  -3.974  -0.519   6.619
  291   1HB   LYS  40          1HB       LYS  40  -3.211  -2.458   7.980
  292   2HB   LYS  40          2HB       LYS  40  -4.886  -2.024   8.209
  293   1HG   LYS  40          1HG       LYS  40  -5.123  -4.274   8.048
  294   2HG   LYS  40          2HG       LYS  40  -5.207  -3.868   6.337
  295   1HD   LYS  40          1HD       LYS  40  -3.668  -5.592   6.300
  296   2HD   LYS  40          2HD       LYS  40  -2.593  -4.196   6.429
  297   1HE   LYS  40          1HE       LYS  40  -1.869  -5.870   7.990
  298   2HE   LYS  40          2HE       LYS  40  -2.566  -4.524   8.891
  299   1HZ   LYS  40          1HZ       LYS  40  -3.244  -6.787   9.657
  300   2HZ   LYS  40          2HZ       LYS  40  -4.095  -6.977   8.197
  301   3HZ   LYS  40          3HZ       LYS  40  -4.533  -5.753   9.285
  302    H    TRP  41           H        TRP  41  -2.225  -0.180   5.930
  303    HA   TRP  41           HA       TRP  41  -0.918  -1.859   3.992
  304   1HB   TRP  41          1HB       TRP  41  -0.293   0.792   5.264
  305   2HB   TRP  41          2HB       TRP  41   0.786  -0.007   4.122
  306    HD1  TRP  41           HD1      TRP  41  -2.612   1.745   4.302
  307    HE1  TRP  41           HE1      TRP  41  -3.245   2.392   1.857
  308    HE3  TRP  41           HE3      TRP  41   0.993  -0.814   1.825
  309    HZ2  TRP  41           HZ2      TRP  41  -2.377   1.766  -0.747
  310    HZ3  TRP  41           HZ3      TRP  41   1.038  -0.777  -0.624
  311    HH2  TRP  41           HH2      TRP  41  -0.625   0.481  -1.880
  312    H    PHE  42           H        PHE  42   0.963  -2.864   4.240
  313    HA   PHE  42           HA       PHE  42   2.312  -2.798   6.830
  314   1HB   PHE  42          1HB       PHE  42   1.420  -4.904   7.060
  315   2HB   PHE  42          2HB       PHE  42   1.334  -5.196   5.333
  316    HD1  PHE  42           HD1      PHE  42   3.041  -6.429   4.249
  317    HD2  PHE  42           HD2      PHE  42   3.644  -5.041   8.226
  318    HE1  PHE  42           HE1      PHE  42   5.087  -7.804   4.417
  319    HE2  PHE  42           HE2      PHE  42   5.681  -6.407   8.395
  320    HZ   PHE  42           HZ       PHE  42   6.401  -7.794   6.454
  321    H    LYS  43           H        LYS  43   4.398  -2.399   6.614
  322    HA   LYS  43           HA       LYS  43   5.258  -1.985   3.832
  323   1HB   LYS  43          1HB       LYS  43   5.464   0.049   5.025
  324   2HB   LYS  43          2HB       LYS  43   6.071  -0.745   6.468
  325   1HG   LYS  43          1HG       LYS  43   8.189  -1.110   5.498
  326   2HG   LYS  43          2HG       LYS  43   7.607  -0.685   3.890
  327   1HD   LYS  43          1HD       LYS  43   8.936   1.110   4.816
  328   2HD   LYS  43          2HD       LYS  43   7.257   1.610   4.637
  329   1HE   LYS  43          1HE       LYS  43   8.313   0.554   7.236
  330   2HE   LYS  43          2HE       LYS  43   8.478   2.253   6.796
  331   1HZ   LYS  43          1HZ       LYS  43   6.124   2.473   6.672
  332   2HZ   LYS  43          2HZ       LYS  43   6.490   1.748   8.154
  333   3HZ   LYS  43          3HZ       LYS  43   5.891   0.813   6.886
  334    H    GLY  44           H        GLY  44   6.572  -3.664   3.150
  335   1HA   GLY  44          1HA       GLY  44   7.339  -5.476   5.267
  336   2HA   GLY  44          2HA       GLY  44   7.508  -5.766   3.549
  337    H    LYS  45           H        LYS  45   9.073  -3.906   6.153
  338    HA   LYS  45           HA       LYS  45  11.242  -5.746   5.454
  339   1HB   LYS  45          1HB       LYS  45  11.354  -3.192   6.589
  340   2HB   LYS  45          2HB       LYS  45  11.402  -4.245   7.983
  341   1HG   LYS  45          1HG       LYS  45  13.402  -3.885   5.821
  342   2HG   LYS  45          2HG       LYS  45  13.622  -4.002   7.567
  343   1HD   LYS  45          1HD       LYS  45  12.729  -6.441   7.179
  344   2HD   LYS  45          2HD       LYS  45  13.301  -6.143   5.531
  345   1HE   LYS  45          1HE       LYS  45  15.020  -7.237   6.903
  346   2HE   LYS  45          2HE       LYS  45  15.525  -5.634   6.375
  347   1HZ   LYS  45          1HZ       LYS  45  14.460  -6.307   9.072
  348   2HZ   LYS  45          2HZ       LYS  45  14.971  -4.771   8.565
  349   3HZ   LYS  45          3HZ       LYS  45  16.088  -6.039   8.690
  350    H    TRP  46           H        TRP  46   9.211  -4.545   7.930
  351    HA   TRP  46           HA       TRP  46   7.952  -7.007   8.698
  352   1HB   TRP  46          1HB       TRP  46   8.688  -6.458  11.108
  353   2HB   TRP  46          2HB       TRP  46   9.797  -7.350  10.076
  354    HD1  TRP  46           HD1      TRP  46  11.847  -5.919   9.037
  355    HE1  TRP  46           HE1      TRP  46  13.025  -3.776   9.816
  356    HE3  TRP  46           HE3      TRP  46   8.420  -4.414  12.494
  357    HZ2  TRP  46           HZ2      TRP  46  12.556  -1.730  11.749
  358    HZ3  TRP  46           HZ3      TRP  46   8.851  -2.361  13.777
  359    HH2  TRP  46           HH2      TRP  46  10.870  -1.049  13.408
  360    H    VAL  47           H        VAL  47   7.691  -3.820   8.181
  361    HA   VAL  47           HA       VAL  47   6.756  -2.892  10.679
  362    HB   VAL  47           HB       VAL  47   6.995  -0.817   8.749
  363   1HG1  VAL  47          1HG1      VAL  47   8.582   0.064  10.372
  364   2HG1  VAL  47          2HG1      VAL  47   8.655  -1.518  11.143
  365   3HG1  VAL  47          3HG1      VAL  47   7.152  -0.598  11.165
  366   1HG2  VAL  47          1HG2      VAL  47   9.413  -2.605   8.917
  367   2HG2  VAL  47          2HG2      VAL  47   9.464  -0.929   8.373
  368   3HG2  VAL  47          3HG2      VAL  47   8.536  -2.120   7.463
  369    H    ASP  48           H        ASP  48   5.300  -1.190  10.486
  370    HA   ASP  48           HA       ASP  48   3.021  -1.642   8.747
  371   1HB   ASP  48          1HB       ASP  48   2.387  -1.851  11.071
  372   2HB   ASP  48          2HB       ASP  48   3.321  -0.413  11.492
  373    H    LEU  49           H        LEU  49   2.213   0.238   7.734
  374    HA   LEU  49           HA       LEU  49   4.145   2.379   7.498
  375   1HB   LEU  49          1HB       LEU  49   1.562   1.890   6.014
  376   2HB   LEU  49          2HB       LEU  49   2.547   3.323   5.813
  377    HG   LEU  49           HG       LEU  49   4.415   1.580   5.160
  378   1HD1  LEU  49          1HD1      LEU  49   2.906  -0.376   5.647
  379   2HD1  LEU  49          2HD1      LEU  49   3.617  -0.327   4.032
  380   3HD1  LEU  49          3HD1      LEU  49   1.930   0.145   4.260
  381   1HD2  LEU  49          1HD2      LEU  49   3.787   1.862   2.875
  382   2HD2  LEU  49          2HD2      LEU  49   3.399   3.343   3.757
  383   3HD2  LEU  49          3HD2      LEU  49   2.118   2.195   3.335
  384    H    SER  50           H        SER  50   1.026   1.818   8.920
  385    HA   SER  50           HA       SER  50   0.091   4.478   8.841
  386   1HB   SER  50          1HB       SER  50  -1.347   2.447   9.240
  387   2HB   SER  50          2HB       SER  50  -0.644   2.332  10.856
  388    HG   SER  50           HG       SER  50  -2.740   3.694  10.203
  389    H    SER  51           H        SER  51   2.442   2.883  10.625
  390    HA   SER  51           HA       SER  51   2.256   4.546  12.903
  391   1HB   SER  51          1HB       SER  51   4.142   2.360  12.115
  392   2HB   SER  51          2HB       SER  51   4.251   3.236  13.631
  393    HG   SER  51           HG       SER  51   2.043   1.686  12.723
  394    H    LYS  52           H        LYS  52   3.972   4.340   9.984
  395    HA   LYS  52           HA       LYS  52   6.041   6.180  10.868
  396   1HB   LYS  52          1HB       LYS  52   6.308   4.930   8.234
  397   2HB   LYS  52          2HB       LYS  52   7.469   5.097   9.524
  398   1HG   LYS  52          1HG       LYS  52   5.319   3.034   9.313
  399   2HG   LYS  52          2HG       LYS  52   7.028   2.789   8.985
  400   1HD   LYS  52          1HD       LYS  52   5.839   3.516  11.659
  401   2HD   LYS  52          2HD       LYS  52   6.376   1.908  11.164
  402   1HE   LYS  52          1HE       LYS  52   8.627   2.545  11.144
  403   2HE   LYS  52          2HE       LYS  52   8.236   4.262  11.097
  404   1HZ   LYS  52          1HZ       LYS  52   9.063   3.433  13.279
  405   2HZ   LYS  52          2HZ       LYS  52   7.639   2.528  13.435
  406   3HZ   LYS  52          3HZ       LYS  52   7.564   4.219  13.353
  407    H    VAL  53           H        VAL  53   4.487   5.479   7.834
  408    HA   VAL  53           HA       VAL  53   4.474   6.857   5.956
  409    HB   VAL  53           HB       VAL  53   2.173   7.273   7.814
  410   1HG1  VAL  53          1HG1      VAL  53   2.478   8.211   4.973
  411   2HG1  VAL  53          2HG1      VAL  53   1.832   9.100   6.358
  412   3HG1  VAL  53          3HG1      VAL  53   0.902   7.777   5.635
  413   1HG2  VAL  53          1HG2      VAL  53   1.118   5.612   6.431
  414   2HG2  VAL  53          2HG2      VAL  53   2.669   5.019   7.032
  415   3HG2  VAL  53          3HG2      VAL  53   2.523   5.579   5.368
  416    H    GLY  54           H        GLY  54   6.174   8.222   5.903
  417   1HA   GLY  54          1HA       GLY  54   5.625  11.000   6.539
  418   2HA   GLY  54          2HA       GLY  54   6.844  10.278   7.573
  419    H    GLN  55           H        GLN  55   8.780  10.902   6.975
  420    HA   GLN  55           HA       GLN  55   9.314  12.470   4.799
  421   1HB   GLN  55          1HB       GLN  55  10.781  12.540   6.650
  422   2HB   GLN  55          2HB       GLN  55  11.166  10.831   6.510
  423   1HG   GLN  55          1HG       GLN  55  12.308  11.288   4.384
  424   2HG   GLN  55          2HG       GLN  55  11.959  13.003   4.589
  425   1HE2  GLN  55          1HE2      GLN  55  12.768  10.944   7.288
  426   2HE2  GLN  55          2HE2      GLN  55  14.331  11.625   7.578
  427    H    HIS  56           H        HIS  56  10.205   9.002   5.036
  428    HA   HIS  56           HA       HIS  56  11.183   9.212   2.294
  429   1HB   HIS  56          1HB       HIS  56  12.327   7.187   2.618
  430   2HB   HIS  56          2HB       HIS  56  12.478   8.051   4.132
  431    HD1  HIS  56           HD1      HIS  56  11.377   4.890   2.692
  432    HD2  HIS  56           HD2      HIS  56  10.843   6.963   6.250
  433    HE1  HIS  56           HE1      HIS  56  10.444   3.211   4.314
  434    HE2  HIS  56           HE2      HIS  56  10.331   4.443   6.517
  435    H    LEU  57           H        LEU  57   8.726   7.514   4.068
  436    HA   LEU  57           HA       LEU  57   7.448   6.926   1.557
  437   1HB   LEU  57          1HB       LEU  57   7.732   4.818   2.048
  438   2HB   LEU  57          2HB       LEU  57   8.158   5.161   3.643
  439    HG   LEU  57           HG       LEU  57   6.267   3.508   3.284
  440   1HD1  LEU  57          1HD1      LEU  57   5.885   5.824   5.145
  441   2HD1  LEU  57          2HD1      LEU  57   6.690   4.289   5.471
  442   3HD1  LEU  57          3HD1      LEU  57   4.948   4.332   5.194
  443   1HD2  LEU  57          1HD2      LEU  57   5.046   4.723   1.587
  444   2HD2  LEU  57          2HD2      LEU  57   4.727   6.034   2.720
  445   3HD2  LEU  57          3HD2      LEU  57   4.031   4.438   3.001
  446    H    GLN  58           H        GLN  58   6.009   8.470   1.430
  447    HA   GLN  58           HA       GLN  58   4.225   8.961   3.626
  448   1HB   GLN  58          1HB       GLN  58   4.065  10.099   0.831
  449   2HB   GLN  58          2HB       GLN  58   3.312  10.720   2.288
  450   1HG   GLN  58          1HG       GLN  58   5.008  12.193   1.976
  451   2HG   GLN  58          2HG       GLN  58   5.753  11.072   3.092
  452   1HE2  GLN  58          1HE2      GLN  58   7.483   9.910   2.443
  453   2HE2  GLN  58          2HE2      GLN  58   8.266  10.112   0.912
  454    H    LEU  59           H        LEU  59   2.772   7.530   3.780
  455    HA   LEU  59           HA       LEU  59   1.558   6.226   1.484
  456   1HB   LEU  59          1HB       LEU  59   2.234   4.977   3.636
  457   2HB   LEU  59          2HB       LEU  59   0.958   5.846   4.443
  458    HG   LEU  59           HG       LEU  59   0.751   3.586   2.482
  459   1HD1  LEU  59          1HD1      LEU  59   0.848   2.868   4.640
  460   2HD1  LEU  59          2HD1      LEU  59  -0.899   3.006   4.377
  461   3HD1  LEU  59          3HD1      LEU  59  -0.032   4.275   5.261
  462   1HD2  LEU  59          1HD2      LEU  59  -1.671   3.937   2.412
  463   2HD2  LEU  59          2HD2      LEU  59  -0.774   5.209   1.566
  464   3HD2  LEU  59          3HD2      LEU  59  -1.455   5.518   3.169
  465    H    HIS  60           H        HIS  60   0.526   7.919   0.626
  466    HA   HIS  60           HA       HIS  60  -1.172   9.670   2.058
  467   1HB   HIS  60          1HB       HIS  60  -0.509   9.330  -0.843
  468   2HB   HIS  60          2HB       HIS  60  -1.830  10.343  -0.332
  469    HD1  HIS  60           HD1      HIS  60   0.123  11.832  -1.827
  470    HD2  HIS  60           HD2      HIS  60   0.633  11.135   2.240
  471    HE1  HIS  60           HE1      HIS  60   1.661  13.649  -1.016
  472    HE2  HIS  60           HE2      HIS  60   1.697  13.370   1.489
  473    H    ASP  61           H        ASP  61  -3.225   9.959   1.371
  474    HA   ASP  61           HA       ASP  61  -4.654   7.758   0.235
  475   1HB   ASP  61          1HB       ASP  61  -6.410   7.964   1.890
  476   2HB   ASP  61          2HB       ASP  61  -4.928   7.328   2.558
  477    H    SER  62           H        SER  62  -5.490   8.550  -1.352
  478    HA   SER  62           HA       SER  62  -6.726  11.186  -1.365
  479   1HB   SER  62          1HB       SER  62  -6.842   9.253  -3.652
  480   2HB   SER  62          2HB       SER  62  -6.976  11.001  -3.695
  481    HG   SER  62           HG       SER  62  -4.577  10.088  -2.694
  482    H    TYR  63           H        TYR  63  -8.979  11.343  -1.828
  483    HA   TYR  63           HA       TYR  63 -10.492   8.997  -1.189
  484   1HB   TYR  63          1HB       TYR  63 -10.045   9.521   0.963
  485   2HB   TYR  63          2HB       TYR  63 -10.035  11.251   0.703
  486    HD1  TYR  63           HD1      TYR  63 -11.699  12.371   1.799
  487    HD2  TYR  63           HD2      TYR  63 -12.516   8.444   0.384
  488    HE1  TYR  63           HE1      TYR  63 -13.960  12.509   2.739
  489    HE2  TYR  63           HE2      TYR  63 -14.782   8.574   1.329
  490    HH   TYR  63           HH       TYR  63 -15.993   9.776   3.048
  491    H    ASP  64           H        ASP  64 -11.587   9.080  -2.941
  492    HA   ASP  64           HA       ASP  64 -13.293  11.421  -3.238
  493   1HB   ASP  64          1HB       ASP  64 -13.604  10.744  -5.553
  494   2HB   ASP  64          2HB       ASP  64 -11.951  11.143  -5.195
  495    H    ARG  65           H        ARG  65 -15.238  11.211  -2.853
  496    HA   ARG  65           HA       ARG  65 -16.458   8.550  -2.849
  497   1HB   ARG  65          1HB       ARG  65 -16.981  11.009  -1.260
  498   2HB   ARG  65          2HB       ARG  65 -18.362   9.984  -1.652
  499   1HG   ARG  65          1HG       ARG  65 -15.833   9.110  -0.273
  500   2HG   ARG  65          2HG       ARG  65 -17.421   9.324   0.478
  501   1HD   ARG  65          1HD       ARG  65 -17.049   7.509  -1.883
  502   2HD   ARG  65          2HD       ARG  65 -16.712   6.930  -0.240
  503    HE   ARG  65           HE       ARG  65 -19.023   7.349   0.318
  504   1HH1  ARG  65          1HH1      ARG  65 -18.275   7.471  -3.117
  505   2HH1  ARG  65          2HH1      ARG  65 -19.929   7.266  -3.611
  506   1HH2  ARG  65          1HH2      ARG  65 -21.174   7.077  -0.342
  507   2HH2  ARG  65          2HH2      ARG  65 -21.569   7.046  -2.032
  508    H    ALA  66           H        ALA  66 -15.801  10.122  -5.062
  509    HA   ALA  66           HA       ALA  66 -18.428  10.441  -6.296
  510   1HB   ALA  66          1HB       ALA  66 -17.410  11.933  -7.924
  511   2HB   ALA  66          2HB       ALA  66 -15.836  11.710  -7.162
  512   3HB   ALA  66          3HB       ALA  66 -17.132  12.531  -6.289
  513    H    SER  67           H        SER  67 -15.295   9.042  -6.400
  514    HA   SER  67           HA       SER  67 -16.079   7.434  -8.712
  515   1HB   SER  67          1HB       SER  67 -13.964   8.907  -8.867
  516   2HB   SER  67          2HB       SER  67 -13.243   7.751  -7.748
  517    HG   SER  67           HG       SER  67 -14.226   7.295 -10.370
  518    H    LYS  68           H        LYS  68 -15.601   7.483  -5.400
  519    HA   LYS  68           HA       LYS  68 -16.102   5.854  -3.851
  520   1HB   LYS  68          1HB       LYS  68 -17.671   4.967  -5.559
  521   2HB   LYS  68          2HB       LYS  68 -16.347   4.086  -6.293
  522   1HG   LYS  68          1HG       LYS  68 -16.951   2.349  -5.067
  523   2HG   LYS  68          2HG       LYS  68 -16.372   3.227  -3.653
  524   1HD   LYS  68          1HD       LYS  68 -19.125   3.758  -4.671
  525   2HD   LYS  68          2HD       LYS  68 -18.819   2.289  -3.739
  526   1HE   LYS  68          1HE       LYS  68 -17.837   3.705  -1.946
  527   2HE   LYS  68          2HE       LYS  68 -18.331   5.136  -2.863
  528   1HZ   LYS  68          1HZ       LYS  68 -20.227   3.025  -1.991
  529   2HZ   LYS  68          2HZ       LYS  68 -20.607   4.559  -2.603
  530   3HZ   LYS  68          3HZ       LYS  68 -19.899   4.409  -1.068
  531    H    VAL  69           H        VAL  69 -13.487   6.611  -4.818
  532    HA   VAL  69           HA       VAL  69 -12.045   4.140  -4.172
  533    HB   VAL  69           HB       VAL  69 -10.851   6.249  -5.927
  534   1HG1  VAL  69          1HG1      VAL  69  -9.306   4.704  -4.920
  535   2HG1  VAL  69          2HG1      VAL  69  -9.417   4.370  -6.652
  536   3HG1  VAL  69          3HG1      VAL  69 -10.250   3.330  -5.494
  537   1HG2  VAL  69          1HG2      VAL  69 -11.445   4.857  -7.884
  538   2HG2  VAL  69          2HG2      VAL  69 -12.862   5.539  -7.080
  539   3HG2  VAL  69          3HG2      VAL  69 -12.437   3.846  -6.833
  540    H    TYR  70           H        TYR  70 -10.793   4.292  -2.565
  541    HA   TYR  70           HA       TYR  70  -9.597   6.824  -1.761
  542   1HB   TYR  70          1HB       TYR  70  -9.407   4.141  -0.432
  543   2HB   TYR  70          2HB       TYR  70  -8.674   5.603   0.163
  544    HD1  TYR  70           HD1      TYR  70  -9.727   6.684   1.878
  545    HD2  TYR  70           HD2      TYR  70 -12.051   4.321  -0.769
  546    HE1  TYR  70           HE1      TYR  70 -11.734   7.169   3.221
  547    HE2  TYR  70           HE2      TYR  70 -14.069   4.789   0.559
  548    HH   TYR  70           HH       TYR  70 -14.790   5.562   2.606
  549    H    LEU  71           H        LEU  71  -7.857   7.177  -2.792
  550    HA   LEU  71           HA       LEU  71  -6.212   4.983  -3.772
  551   1HB   LEU  71          1HB       LEU  71  -6.622   6.502  -5.537
  552   2HB   LEU  71          2HB       LEU  71  -6.277   7.892  -4.523
  553    HG   LEU  71           HG       LEU  71  -3.917   7.362  -4.487
  554   1HD1  LEU  71          1HD1      LEU  71  -4.114   4.912  -4.486
  555   2HD1  LEU  71          2HD1      LEU  71  -2.964   5.493  -5.692
  556   3HD1  LEU  71          3HD1      LEU  71  -4.572   4.960  -6.190
  557   1HD2  LEU  71          1HD2      LEU  71  -4.993   7.185  -7.294
  558   2HD2  LEU  71          2HD2      LEU  71  -3.363   7.676  -6.825
  559   3HD2  LEU  71          3HD2      LEU  71  -4.749   8.669  -6.374
  560    H    PHE  72           H        PHE  72  -5.016   4.348  -2.266
  561    HA   PHE  72           HA       PHE  72  -3.558   6.159  -0.568
  562   1HB   PHE  72          1HB       PHE  72  -3.600   3.181  -0.741
  563   2HB   PHE  72          2HB       PHE  72  -2.643   4.062   0.424
  564    HD1  PHE  72           HD1      PHE  72  -5.975   2.928  -0.517
  565    HD2  PHE  72           HD2      PHE  72  -3.714   5.197   2.279
  566    HE1  PHE  72           HE1      PHE  72  -7.900   2.946   1.019
  567    HE2  PHE  72           HE2      PHE  72  -5.628   5.218   3.819
  568    HZ   PHE  72           HZ       PHE  72  -7.711   4.016   3.208
  569    H    GLU  73           H        GLU  73  -1.845   6.946  -1.240
  570    HA   GLU  73           HA       GLU  73  -0.317   5.801  -3.447
  571   1HB   GLU  73          1HB       GLU  73   0.251   8.528  -2.428
  572   2HB   GLU  73          2HB       GLU  73   0.412   7.890  -4.055
  573   1HG   GLU  73          1HG       GLU  73  -1.829   8.249  -4.543
  574   2HG   GLU  73          2HG       GLU  73  -2.287   8.345  -2.836
  575    H    LEU  74           H        LEU  74   1.505   4.944  -2.950
  576    HA   LEU  74           HA       LEU  74   2.886   5.623  -0.491
  577   1HB   LEU  74          1HB       LEU  74   3.521   3.626  -2.643
  578   2HB   LEU  74          2HB       LEU  74   4.519   3.879  -1.231
  579    HG   LEU  74           HG       LEU  74   3.169   1.904  -0.900
  580   1HD1  LEU  74          1HD1      LEU  74   3.620   3.472   0.960
  581   2HD1  LEU  74          2HD1      LEU  74   2.163   2.496   1.193
  582   3HD1  LEU  74          3HD1      LEU  74   2.029   4.185   0.697
  583   1HD2  LEU  74          1HD2      LEU  74   0.778   3.675  -1.408
  584   2HD2  LEU  74          2HD2      LEU  74   0.721   1.996  -0.873
  585   3HD2  LEU  74          3HD2      LEU  74   1.365   2.394  -2.466
  586    H    HIS  75           H        HIS  75   4.262   7.097  -0.551
  587    HA   HIS  75           HA       HIS  75   5.827   7.484  -3.018
  588   1HB   HIS  75          1HB       HIS  75   5.176   9.542  -0.873
  589   2HB   HIS  75          2HB       HIS  75   6.335   9.796  -2.168
  590    HD1  HIS  75           HD1      HIS  75   5.228  11.615  -3.456
  591    HD2  HIS  75           HD2      HIS  75   2.637   8.445  -2.680
  592    HE1  HIS  75           HE1      HIS  75   3.116  12.124  -4.731
  593    HE2  HIS  75           HE2      HIS  75   1.496  10.300  -4.089
  594    H    ILE  76           H        ILE  76   7.261   5.947  -2.471
  595    HA   ILE  76           HA       ILE  76   8.599   6.341   0.116
  596    HB   ILE  76           HB       ILE  76   8.289   3.797  -1.395
  597   1HG1  ILE  76          1HG1      ILE  76   6.771   4.691   1.048
  598   2HG1  ILE  76          2HG1      ILE  76   6.138   4.729  -0.605
  599   1HG2  ILE  76          1HG2      ILE  76   9.239   4.306   1.404
  600   2HG2  ILE  76          2HG2      ILE  76  10.254   3.826   0.040
  601   3HG2  ILE  76          3HG2      ILE  76   9.030   2.716   0.668
  602   1HD1  ILE  76          1HD1      ILE  76   6.309   2.331  -0.771
  603   2HD1  ILE  76          2HD1      ILE  76   5.350   2.787   0.636
  604   3HD1  ILE  76          3HD1      ILE  76   7.019   2.249   0.839
  605    H    THR  77           H        THR  77  10.277   7.390  -0.447
  606    HA   THR  77           HA       THR  77  11.905   6.572  -2.633
  607    HB   THR  77           HB       THR  77  13.015   8.735  -2.390
  608    HG1  THR  77           HG1      THR  77  12.481   8.928  -0.072
  609   1HG2  THR  77          1HG2      THR  77  11.244  10.065  -3.289
  610   2HG2  THR  77          2HG2      THR  77  10.030   9.073  -2.485
  611   3HG2  THR  77          3HG2      THR  77  10.984   8.397  -3.810
  612    H    ASP  78           H        ASP  78  13.929   6.470  -2.344
  613    HA   ASP  78           HA       ASP  78  15.724   5.400  -1.608
  614   1HB   ASP  78          1HB       ASP  78  16.924   6.550   0.106
  615   2HB   ASP  78          2HB       ASP  78  16.278   7.612  -1.107
  616    H    ALA  79           H        ALA  79  14.991   3.608  -1.338
  617    HA   ALA  79           HA       ALA  79  13.629   2.581   0.934
  618   1HB   ALA  79          1HB       ALA  79  13.246   1.692  -1.273
  619   2HB   ALA  79          2HB       ALA  79  13.883   0.417  -0.232
  620   3HB   ALA  79          3HB       ALA  79  14.939   1.213  -1.405
  621    H    GLN  80           H        GLN  80  14.406   1.765   2.741
  622    HA   GLN  80           HA       GLN  80  17.053   1.494   3.513
  623   1HB   GLN  80          1HB       GLN  80  15.375   1.382   5.194
  624   2HB   GLN  80          2HB       GLN  80  14.508   0.104   4.359
  625   1HG   GLN  80          1HG       GLN  80  15.447  -1.160   5.960
  626   2HG   GLN  80          2HG       GLN  80  16.800  -1.180   4.832
  627   1HE2  GLN  80          1HE2      GLN  80  18.659  -0.025   5.331
  628   2HE2  GLN  80          2HE2      GLN  80  18.955   0.624   6.909
  629    HA   PRO  81           HA       PRO  81  18.503  -1.619   0.735
  630   1HB   PRO  81          1HB       PRO  81  20.693  -2.375   2.252
  631   2HB   PRO  81          2HB       PRO  81  20.655  -0.995   1.147
  632   1HG   PRO  81          1HG       PRO  81  20.278  -1.066   4.116
  633   2HG   PRO  81          2HG       PRO  81  21.173   0.106   3.130
  634   1HD   PRO  81          1HD       PRO  81  18.754   0.683   4.086
  635   2HD   PRO  81          2HD       PRO  81  19.231   1.197   2.453
  636    H    ALA  82           H        ALA  82  17.329  -2.270   3.831
  637    HA   ALA  82           HA       ALA  82  17.788  -5.140   3.487
  638   1HB   ALA  82          1HB       ALA  82  18.693  -4.213   5.556
  639   2HB   ALA  82          2HB       ALA  82  17.411  -5.382   5.865
  640   3HB   ALA  82          3HB       ALA  82  17.079  -3.656   6.012
  641    H    PHE  83           H        PHE  83  15.495  -2.989   2.705
  642    HA   PHE  83           HA       PHE  83  13.182  -3.826   4.143
  643   1HB   PHE  83          1HB       PHE  83  13.796  -2.158   1.781
  644   2HB   PHE  83          2HB       PHE  83  12.238  -2.948   1.717
  645    HD1  PHE  83           HD1      PHE  83  11.875  -2.792   4.831
  646    HD2  PHE  83           HD2      PHE  83  12.839   0.066   1.822
  647    HE1  PHE  83           HE1      PHE  83  10.940  -1.014   6.233
  648    HE2  PHE  83           HE2      PHE  83  11.915   1.855   3.237
  649    HZ   PHE  83           HZ       PHE  83  10.963   1.317   5.440
  650    H    THR  84           H        THR  84  14.441  -4.782   0.934
  651    HA   THR  84           HA       THR  84  13.178  -5.651  -0.777
  652    HB   THR  84           HB       THR  84  12.962  -7.874   1.235
  653    HG1  THR  84           HG1      THR  84  15.087  -7.675   1.105
  654   1HG2  THR  84          1HG2      THR  84  11.572  -8.289  -0.711
  655   2HG2  THR  84          2HG2      THR  84  13.002  -9.317  -0.806
  656   3HG2  THR  84          3HG2      THR  84  12.902  -7.853  -1.789
  657    H    GLY  85           H        GLY  85  11.647  -4.037  -0.421
  658   1HA   GLY  85          1HA       GLY  85   9.822  -4.043   1.696
  659   2HA   GLY  85          2HA       GLY  85   9.786  -2.971   0.328
  660    H    GLY  86           H        GLY  86   8.841  -5.940   1.559
  661   1HA   GLY  86          1HA       GLY  86   6.883  -6.404  -0.507
  662   2HA   GLY  86          2HA       GLY  86   7.194  -7.424   0.880
  663    H    TYR  87           H        TYR  87   5.800  -4.531  -0.225
  664    HA   TYR  87           HA       TYR  87   4.527  -3.871   2.298
  665   1HB   TYR  87          1HB       TYR  87   4.257  -2.745  -0.511
  666   2HB   TYR  87          2HB       TYR  87   3.389  -2.121   0.887
  667    HD1  TYR  87           HD1      TYR  87   6.870  -2.914  -0.184
  668    HD2  TYR  87           HD2      TYR  87   4.324  -0.335   2.049
  669    HE1  TYR  87           HE1      TYR  87   8.795  -1.491   0.359
  670    HE2  TYR  87           HE2      TYR  87   6.254   1.085   2.624
  671    HH   TYR  87           HH       TYR  87   8.693   0.923   2.757
  672    H    ARG  88           H        ARG  88   2.748  -5.009   2.948
  673    HA   ARG  88           HA       ARG  88   1.198  -6.355   0.856
  674   1HB   ARG  88          1HB       ARG  88   1.804  -7.058   3.693
  675   2HB   ARG  88          2HB       ARG  88   0.290  -7.607   2.989
  676   1HG   ARG  88          1HG       ARG  88   1.624  -8.633   1.134
  677   2HG   ARG  88          2HG       ARG  88   3.077  -8.245   2.059
  678   1HD   ARG  88          1HD       ARG  88   2.173 -10.590   2.345
  679   2HD   ARG  88          2HD       ARG  88   2.440  -9.681   3.835
  680    HE   ARG  88           HE       ARG  88  -0.040  -9.175   3.684
  681   1HH1  ARG  88          1HH1      ARG  88   1.343 -12.125   2.369
  682   2HH1  ARG  88          2HH1      ARG  88  -0.122 -13.033   2.580
  683   1HH2  ARG  88          1HH2      ARG  88  -1.933 -10.364   3.970
  684   2HH2  ARG  88          2HH2      ARG  88  -1.992 -12.033   3.509
  685    H    CYS  89           H        CYS  89  -0.422  -5.132   0.281
  686    HA   CYS  89           HA       CYS  89  -1.767  -3.472   2.247
  687   1HB   CYS  89          1HB       CYS  89  -1.221  -2.936  -0.284
  688   2HB   CYS  89          2HB       CYS  89  -2.757  -3.751  -0.556
  689    HG   CYS  89           HG       CYS  89  -2.153  -0.870   1.138
  690    H    GLU  90           H        GLU  90  -3.561  -4.003   3.205
  691    HA   GLU  90           HA       GLU  90  -5.127  -6.276   2.219
  692   1HB   GLU  90          1HB       GLU  90  -3.561  -7.157   3.872
  693   2HB   GLU  90          2HB       GLU  90  -4.043  -5.926   5.028
  694   1HG   GLU  90          1HG       GLU  90  -6.295  -6.909   5.103
  695   2HG   GLU  90          2HG       GLU  90  -5.759  -8.171   3.989
  696    H    VAL  91           H        VAL  91  -7.101  -5.410   1.899
  697    HA   VAL  91           HA       VAL  91  -8.029  -3.357   3.789
  698    HB   VAL  91           HB       VAL  91  -8.100  -2.399   1.658
  699   1HG1  VAL  91          1HG1      VAL  91  -7.757  -4.390   0.305
  700   2HG1  VAL  91          2HG1      VAL  91  -9.122  -3.453  -0.307
  701   3HG1  VAL  91          3HG1      VAL  91  -9.411  -4.913   0.639
  702   1HG2  VAL  91          1HG2      VAL  91 -10.835  -3.443   2.320
  703   2HG2  VAL  91          2HG2      VAL  91 -10.524  -2.192   1.121
  704   3HG2  VAL  91          3HG2      VAL  91 -10.118  -1.908   2.812
  705    H    SER  92           H        SER  92  -9.969  -3.498   4.814
  706    HA   SER  92           HA       SER  92 -11.541  -5.932   4.320
  707   1HB   SER  92          1HB       SER  92 -10.059  -6.256   6.327
  708   2HB   SER  92          2HB       SER  92 -10.869  -4.886   7.085
  709    HG   SER  92           HG       SER  92 -11.849  -7.451   6.517
  710    H    THR  93           H        THR  93 -13.334  -5.154   3.555
  711    HA   THR  93           HA       THR  93 -14.593  -2.868   4.929
  712    HB   THR  93           HB       THR  93 -15.023  -3.321   2.060
  713    HG1  THR  93           HG1      THR  93 -12.614  -3.142   2.779
  714   1HG2  THR  93          1HG2      THR  93 -14.807  -0.789   3.689
  715   2HG2  THR  93          2HG2      THR  93 -16.298  -1.640   3.253
  716   3HG2  THR  93          3HG2      THR  93 -15.306  -0.917   1.991
  717    H    LYS  94           H        LYS  94 -16.801  -2.975   4.961
  718    HA   LYS  94           HA       LYS  94 -18.658  -4.202   5.643
  719   1HB   LYS  94          1HB       LYS  94 -19.661  -5.131   3.329
  720   2HB   LYS  94          2HB       LYS  94 -19.679  -3.431   3.781
  721   1HG   LYS  94          1HG       LYS  94 -18.227  -2.867   2.179
  722   2HG   LYS  94          2HG       LYS  94 -17.229  -4.296   2.439
  723   1HD   LYS  94          1HD       LYS  94 -19.786  -4.137   0.859
  724   2HD   LYS  94          2HD       LYS  94 -18.147  -4.325   0.225
  725   1HE   LYS  94          1HE       LYS  94 -18.755  -6.484   0.161
  726   2HE   LYS  94          2HE       LYS  94 -18.192  -6.438   1.828
  727   1HZ   LYS  94          1HZ       LYS  94 -20.411  -6.316   2.617
  728   2HZ   LYS  94          2HZ       LYS  94 -20.375  -7.551   1.447
  729   3HZ   LYS  94          3HZ       LYS  94 -21.026  -6.030   1.059
  730    H    ASP  95           H        ASP  95 -17.517  -6.205   3.002
  731    HA   ASP  95           HA       ASP  95 -17.154  -8.524   4.638
  732   1HB   ASP  95          1HB       ASP  95 -19.550  -8.468   3.941
  733   2HB   ASP  95          2HB       ASP  95 -19.017  -8.617   2.283
  734    H    LYS  96           H        LYS  96 -16.224  -6.577   2.135
  735    HA   LYS  96           HA       LYS  96 -15.195  -8.719   0.514
  736   1HB   LYS  96          1HB       LYS  96 -15.933  -6.067  -0.295
  737   2HB   LYS  96          2HB       LYS  96 -14.186  -6.203  -0.416
  738   1HG   LYS  96          1HG       LYS  96 -14.579  -8.401  -1.596
  739   2HG   LYS  96          2HG       LYS  96 -16.261  -7.895  -1.709
  740   1HD   LYS  96          1HD       LYS  96 -15.776  -6.136  -3.124
  741   2HD   LYS  96          2HD       LYS  96 -14.073  -6.106  -2.662
  742   1HE   LYS  96          1HE       LYS  96 -14.645  -7.052  -4.947
  743   2HE   LYS  96          2HE       LYS  96 -13.586  -8.016  -3.927
  744   1HZ   LYS  96          1HZ       LYS  96 -16.498  -8.474  -3.991
  745   2HZ   LYS  96          2HZ       LYS  96 -15.272  -9.547  -3.504
  746   3HZ   LYS  96          3HZ       LYS  96 -15.484  -9.185  -5.146
  747    H    PHE  97           H        PHE  97 -13.282  -9.304   0.548
  748    HA   PHE  97           HA       PHE  97 -11.270  -7.795   2.031
  749   1HB   PHE  97          1HB       PHE  97 -12.243  -9.550   3.437
  750   2HB   PHE  97          2HB       PHE  97 -11.727 -10.752   2.267
  751    HD1  PHE  97           HD1      PHE  97 -10.497  -8.181   4.625
  752    HD2  PHE  97           HD2      PHE  97  -9.565 -11.652   2.341
  753    HE1  PHE  97           HE1      PHE  97  -8.342  -8.370   5.796
  754    HE2  PHE  97           HE2      PHE  97  -7.408 -11.845   3.505
  755    HZ   PHE  97           HZ       PHE  97  -6.797 -10.207   5.234
  756    H    ASP  98           H        ASP  98  -9.635  -7.463   0.872
  757    HA   ASP  98           HA       ASP  98  -8.687  -9.417  -1.082
  758   1HB   ASP  98          1HB       ASP  98  -9.360  -6.536  -1.705
  759   2HB   ASP  98          2HB       ASP  98  -8.274  -7.486  -2.708
  760    H    CYS  99           H        CYS  99  -6.465  -9.265  -1.520
  761    HA   CYS  99           HA       CYS  99  -4.934  -7.322   0.048
  762   1HB   CYS  99          1HB       CYS  99  -4.357 -10.288   0.106
  763   2HB   CYS  99          2HB       CYS  99  -3.491  -9.030   0.979
  764    HG   CYS  99           HG       CYS  99  -6.372  -8.517   2.052
  765    H    SER 100           H        SER 100  -2.867  -6.923  -0.739
  766    HA   SER 100           HA       SER 100  -2.195  -8.250  -3.288
  767   1HB   SER 100          1HB       SER 100  -1.464  -6.005  -4.175
  768   2HB   SER 100          2HB       SER 100  -3.191  -6.156  -3.914
  769    HG   SER 100           HG       SER 100  -1.399  -4.481  -2.727
  770    H    ASN 101           H        ASN 101  -0.134  -8.830  -3.528
  771    HA   ASN 101           HA       ASN 101   1.776  -7.936  -1.485
  772   1HB   ASN 101          1HB       ASN 101   2.998  -9.986  -1.794
  773   2HB   ASN 101          2HB       ASN 101   1.311 -10.385  -1.547
  774   1HD2  ASN 101          1HD2      ASN 101   0.670  -9.669  -4.406
  775   2HD2  ASN 101          2HD2      ASN 101   1.244 -11.022  -5.306
  776    H    PHE 102           H        PHE 102   3.271  -6.541  -2.096
  777    HA   PHE 102           HA       PHE 102   4.358  -6.690  -4.795
  778   1HB   PHE 102          1HB       PHE 102   4.188  -4.068  -4.787
  779   2HB   PHE 102          2HB       PHE 102   2.833  -5.044  -5.335
  780    HD1  PHE 102           HD1      PHE 102   3.917  -2.506  -3.130
  781    HD2  PHE 102           HD2      PHE 102   0.993  -5.540  -3.609
  782    HE1  PHE 102           HE1      PHE 102   2.481  -1.368  -1.506
  783    HE2  PHE 102           HE2      PHE 102  -0.459  -4.399  -1.996
  784    HZ   PHE 102           HZ       PHE 102   0.251  -2.378  -0.922
  785    H    ASN 103           H        ASN 103   6.501  -6.658  -4.656
  786    HA   ASN 103           HA       ASN 103   7.578  -5.850  -2.085
  787   1HB   ASN 103          1HB       ASN 103   9.111  -7.546  -2.254
  788   2HB   ASN 103          2HB       ASN 103   7.713  -8.262  -2.959
  789   1HD2  ASN 103          1HD2      ASN 103   7.677  -8.592  -5.184
  790   2HD2  ASN 103          2HD2      ASN 103   9.139  -8.613  -6.091
  791    H    LEU 104           H        LEU 104   9.512  -4.991  -1.970
  792    HA   LEU 104           HA       LEU 104  10.406  -3.476  -4.337
  793   1HB   LEU 104          1HB       LEU 104   9.800  -1.747  -3.020
  794   2HB   LEU 104          2HB       LEU 104   9.965  -2.656  -1.527
  795    HG   LEU 104           HG       LEU 104  12.507  -2.254  -2.602
  796   1HD1  LEU 104          1HD1      LEU 104  11.638  -0.567  -4.029
  797   2HD1  LEU 104          2HD1      LEU 104  12.561   0.206  -2.730
  798   3HD1  LEU 104          3HD1      LEU 104  10.794   0.186  -2.669
  799   1HD2  LEU 104          1HD2      LEU 104  11.241  -2.043  -0.140
  800   2HD2  LEU 104          2HD2      LEU 104  11.823  -0.414  -0.476
  801   3HD2  LEU 104          3HD2      LEU 104  12.955  -1.766  -0.461
  802    H    THR 105           H        THR 105  12.179  -4.412  -5.102
  803    HA   THR 105           HA       THR 105  13.968  -5.756  -3.248
  804    HB   THR 105           HB       THR 105  14.281  -5.565  -6.239
  805    HG1  THR 105           HG1      THR 105  12.285  -6.699  -5.125
  806   1HG2  THR 105          1HG2      THR 105  16.279  -6.204  -4.937
  807   2HG2  THR 105          2HG2      THR 105  15.701  -7.523  -5.957
  808   3HG2  THR 105          3HG2      THR 105  15.367  -7.534  -4.225
  809    H    VAL 106           H        VAL 106  15.006  -4.230  -2.199
  810    HA   VAL 106           HA       VAL 106  16.041  -1.910  -3.479
  811    HB   VAL 106           HB       VAL 106  15.078  -1.659  -1.246
  812   1HG1  VAL 106          1HG1      VAL 106  15.554  -3.864  -0.403
  813   2HG1  VAL 106          2HG1      VAL 106  16.082  -2.603   0.712
  814   3HG1  VAL 106          3HG1      VAL 106  17.266  -3.451  -0.287
  815   1HG2  VAL 106          1HG2      VAL 106  18.041  -1.172  -1.329
  816   2HG2  VAL 106          2HG2      VAL 106  16.917  -0.416  -0.202
  817   3HG2  VAL 106          3HG2      VAL 106  16.786  -0.083  -1.932
  818    H    HIS 107           H        HIS 107  17.812  -1.838  -4.277
  819    HA   HIS 107           HA       HIS 107  19.725  -4.003  -3.993
  820   1HB   HIS 107          1HB       HIS 107  19.561  -1.778  -6.041
  821   2HB   HIS 107          2HB       HIS 107  20.800  -3.029  -6.018
  822    HD1  HIS 107           HD1      HIS 107  19.737  -5.579  -6.139
  823    HD2  HIS 107           HD2      HIS 107  17.414  -2.439  -7.585
  824    HE1  HIS 107           HE1      HIS 107  17.967  -6.641  -7.577
  825    HE2  HIS 107           HE2      HIS 107  16.685  -4.724  -8.575
  826    H    GLU 108           H        GLU 108  20.683  -3.547  -2.152
  827    HA   GLU 108           HA       GLU 108  22.040  -1.101  -1.596
  828   1HB   GLU 108          1HB       GLU 108  21.414  -2.692   0.178
  829   2HB   GLU 108          2HB       GLU 108  22.521  -3.877  -0.501
  830   1HG   GLU 108          1HG       GLU 108  24.341  -2.144  -0.142
  831   2HG   GLU 108          2HG       GLU 108  23.167  -1.294   0.866
  832    H    ALA 109           H        ALA 109  23.301  -4.328  -2.340
  833    HA   ALA 109           HA       ALA 109  25.795  -3.174  -3.277
  834   1HB   ALA 109          1HB       ALA 109  24.982  -6.068  -3.048
  835   2HB   ALA 109          2HB       ALA 109  25.800  -5.149  -1.785
  836   3HB   ALA 109          3HB       ALA 109  26.611  -5.456  -3.322
  837    H    MET 110           H        MET 110  26.207  -2.808  -5.346
  838    HA   MET 110           HA       MET 110  24.385  -3.882  -7.366
  839   1HB   MET 110          1HB       MET 110  24.840  -1.459  -7.365
  840   2HB   MET 110          2HB       MET 110  26.549  -1.786  -7.609
  841   1HG   MET 110          1HG       MET 110  26.070  -2.801  -9.765
  842   2HG   MET 110          2HG       MET 110  24.346  -2.532  -9.517
  843   1HE   MET 110          1HE       MET 110  24.231  -1.369 -11.879
  844   2HE   MET 110          2HE       MET 110  25.967  -1.573 -12.119
  845   3HE   MET 110          3HE       MET 110  25.226   0.011 -12.352
  Start of MODEL   28
    1    H    ASP   1           H        ASP   1 -19.345 -10.888   1.663
    2    HA   ASP   1           HA       ASP   1 -17.977  -9.223   0.636
    3   1HB   ASP   1          1HB       ASP   1 -17.340 -11.215  -1.562
    4   2HB   ASP   1          2HB       ASP   1 -16.565  -9.672  -1.209
    5    H    ASP   2           H        ASP   2 -19.346  -7.930  -0.251
    6    HA   ASP   2           HA       ASP   2 -21.405  -8.811  -2.064
    7   1HB   ASP   2          1HB       ASP   2 -20.620  -6.300  -0.628
    8   2HB   ASP   2          2HB       ASP   2 -21.868  -6.283  -1.861
    9    HA   PRO   3           HA       PRO   3 -19.294  -7.221  -5.713
   10   1HB   PRO   3          1HB       PRO   3 -21.633  -5.665  -6.555
   11   2HB   PRO   3          2HB       PRO   3 -20.901  -7.082  -7.314
   12   1HG   PRO   3          1HG       PRO   3 -23.301  -7.195  -6.086
   13   2HG   PRO   3          2HG       PRO   3 -22.175  -8.564  -6.103
   14   1HD   PRO   3          1HD       PRO   3 -22.714  -6.576  -3.921
   15   2HD   PRO   3          2HD       PRO   3 -22.481  -8.335  -3.813
   16    H    ILE   4           H        ILE   4 -18.000  -5.893  -4.271
   17    HA   ILE   4           HA       ILE   4 -18.642  -3.031  -4.294
   18    HB   ILE   4           HB       ILE   4 -16.860  -4.749  -2.611
   19   1HG1  ILE   4          1HG1      ILE   4 -17.814  -3.254  -0.815
   20   2HG1  ILE   4          2HG1      ILE   4 -18.806  -2.507  -2.066
   21   1HG2  ILE   4          1HG2      ILE   4 -16.441  -1.776  -2.937
   22   2HG2  ILE   4          2HG2      ILE   4 -15.316  -3.047  -3.419
   23   3HG2  ILE   4          3HG2      ILE   4 -15.685  -2.798  -1.714
   24   1HD1  ILE   4          1HD1      ILE   4 -20.052  -4.171  -0.851
   25   2HD1  ILE   4          2HD1      ILE   4 -18.838  -5.392  -1.251
   26   3HD1  ILE   4          3HD1      ILE   4 -19.820  -4.669  -2.528
   27    H    GLY   5           H        GLY   5 -15.792  -5.091  -4.657
   28   1HA   GLY   5          1HA       GLY   5 -14.315  -5.073  -6.535
   29   2HA   GLY   5          2HA       GLY   5 -14.970  -3.501  -6.973
   30    H    LEU   6           H        LEU   6 -13.923  -4.736  -3.928
   31    HA   LEU   6           HA       LEU   6 -12.923  -2.363  -2.920
   32   1HB   LEU   6          1HB       LEU   6 -13.542  -4.746  -1.932
   33   2HB   LEU   6          2HB       LEU   6 -11.814  -4.987  -2.070
   34    HG   LEU   6           HG       LEU   6 -11.428  -3.078  -0.609
   35   1HD1  LEU   6          1HD1      LEU   6 -13.243  -1.966   0.521
   36   2HD1  LEU   6          2HD1      LEU   6 -14.415  -2.973  -0.325
   37   3HD1  LEU   6          3HD1      LEU   6 -13.451  -1.802  -1.225
   38   1HD2  LEU   6          1HD2      LEU   6 -12.244  -4.097   1.430
   39   2HD2  LEU   6          2HD2      LEU   6 -11.642  -5.318   0.306
   40   3HD2  LEU   6          3HD2      LEU   6 -13.381  -5.067   0.489
   41    H    PHE   7           H        PHE   7 -11.454  -4.929  -4.716
   42    HA   PHE   7           HA       PHE   7  -8.860  -3.628  -4.666
   43   1HB   PHE   7          1HB       PHE   7  -9.802  -6.330  -4.813
   44   2HB   PHE   7          2HB       PHE   7  -8.771  -5.993  -6.209
   45    HD1  PHE   7           HD1      PHE   7  -8.712  -4.974  -2.620
   46    HD2  PHE   7           HD2      PHE   7  -6.672  -6.840  -5.858
   47    HE1  PHE   7           HE1      PHE   7  -6.748  -5.301  -1.186
   48    HE2  PHE   7           HE2      PHE   7  -4.681  -7.127  -4.439
   49    HZ   PHE   7           HZ       PHE   7  -4.730  -6.382  -2.099
   50    H    VAL   8           H        VAL   8  -9.490  -1.869  -5.903
   51    HA   VAL   8           HA       VAL   8 -10.485  -2.181  -8.594
   52    HB   VAL   8           HB       VAL   8  -9.325   0.326  -7.365
   53   1HG1  VAL   8          1HG1      VAL   8 -11.306  -0.124  -9.591
   54   2HG1  VAL   8          2HG1      VAL   8  -9.655   0.476  -9.744
   55   3HG1  VAL   8          3HG1      VAL   8 -10.876   1.453  -8.927
   56   1HG2  VAL   8          1HG2      VAL   8 -11.603   0.915  -6.666
   57   2HG2  VAL   8          2HG2      VAL   8 -11.009  -0.528  -5.842
   58   3HG2  VAL   8          3HG2      VAL   8 -12.160  -0.683  -7.170
   59    H    MET   9           H        MET   9  -7.491  -1.242  -7.032
   60    HA   MET   9           HA       MET   9  -5.874  -2.065  -9.243
   61   1HB   MET   9          1HB       MET   9  -6.634   0.213  -9.956
   62   2HB   MET   9          2HB       MET   9  -5.813   0.854  -8.544
   63   1HG   MET   9          1HG       MET   9  -3.693   0.002  -9.368
   64   2HG   MET   9          2HG       MET   9  -4.501  -0.663 -10.784
   65   1HE   MET   9          1HE       MET   9  -2.835   0.638 -12.449
   66   2HE   MET   9          2HE       MET   9  -1.991   1.152 -10.989
   67   3HE   MET   9          3HE       MET   9  -2.418   2.338 -12.220
   68    H    ARG  10           H        ARG  10  -3.875  -2.564  -8.533
   69    HA   ARG  10           HA       ARG  10  -3.329  -1.962  -5.724
   70   1HB   ARG  10          1HB       ARG  10  -3.208  -4.570  -7.216
   71   2HB   ARG  10          2HB       ARG  10  -2.484  -4.354  -5.627
   72   1HG   ARG  10          1HG       ARG  10  -5.359  -3.793  -6.215
   73   2HG   ARG  10          2HG       ARG  10  -4.753  -5.338  -5.608
   74   1HD   ARG  10          1HD       ARG  10  -5.135  -4.405  -3.598
   75   2HD   ARG  10          2HD       ARG  10  -3.566  -3.659  -3.882
   76    HE   ARG  10           HE       ARG  10  -5.553  -1.998  -4.949
   77   1HH1  ARG  10          1HH1      ARG  10  -4.301  -3.147  -1.901
   78   2HH1  ARG  10          2HH1      ARG  10  -4.887  -1.794  -0.993
   79   1HH2  ARG  10          1HH2      ARG  10  -6.369  -0.227  -3.759
   80   2HH2  ARG  10          2HH2      ARG  10  -6.078  -0.129  -2.052
   81    HA   PRO  11           HA       PRO  11   0.643  -0.796  -7.138
   82   1HB   PRO  11          1HB       PRO  11   2.035  -1.188  -4.792
   83   2HB   PRO  11          2HB       PRO  11   1.094   0.244  -5.173
   84   1HG   PRO  11          1HG       PRO  11   0.502  -1.947  -3.353
   85   2HG   PRO  11          2HG       PRO  11  -0.126  -0.293  -3.366
   86   1HD   PRO  11          1HD       PRO  11  -1.487  -2.603  -4.203
   87   2HD   PRO  11          2HD       PRO  11  -1.975  -0.923  -4.503
   88    H    GLN  12           H        GLN  12   2.795  -1.671  -7.435
   89    HA   GLN  12           HA       GLN  12   2.791  -4.598  -7.400
   90   1HB   GLN  12          1HB       GLN  12   3.631  -2.719  -9.605
   91   2HB   GLN  12          2HB       GLN  12   3.807  -4.466  -9.638
   92   1HG   GLN  12          1HG       GLN  12   1.162  -3.123  -9.250
   93   2HG   GLN  12          2HG       GLN  12   1.808  -3.499 -10.850
   94   1HE2  GLN  12          1HE2      GLN  12   0.631  -4.883  -7.828
   95   2HE2  GLN  12          2HE2      GLN  12   0.325  -6.459  -8.471
   96    H    ASP  13           H        ASP  13   5.241  -5.176  -8.296
   97    HA   ASP  13           HA       ASP  13   6.846  -4.641  -6.121
   98   1HB   ASP  13          1HB       ASP  13   8.465  -5.915  -7.571
   99   2HB   ASP  13          2HB       ASP  13   6.967  -6.740  -7.235
  100    H    GLY  14           H        GLY  14   9.170  -4.652  -7.734
  101   1HA   GLY  14          1HA       GLY  14   9.900  -2.615  -9.226
  102   2HA   GLY  14          2HA       GLY  14   9.551  -1.778  -7.724
  103    H    GLU  15           H        GLU  15  11.937  -2.440  -9.336
  104    HA   GLU  15           HA       GLU  15  13.627  -3.385  -7.117
  105   1HB   GLU  15          1HB       GLU  15  14.139  -3.496 -10.094
  106   2HB   GLU  15          2HB       GLU  15  15.372  -3.811  -8.887
  107   1HG   GLU  15          1HG       GLU  15  13.669  -5.593  -8.034
  108   2HG   GLU  15          2HG       GLU  15  13.021  -5.449  -9.668
  109    H    VAL  16           H        VAL  16  14.708  -1.748  -6.165
  110    HA   VAL  16           HA       VAL  16  15.510   0.494  -7.756
  111    HB   VAL  16           HB       VAL  16  14.574   2.057  -6.334
  112   1HG1  VAL  16          1HG1      VAL  16  12.176   1.589  -6.200
  113   2HG1  VAL  16          2HG1      VAL  16  12.520  -0.110  -6.532
  114   3HG1  VAL  16          3HG1      VAL  16  12.878   1.116  -7.747
  115   1HG2  VAL  16          1HG2      VAL  16  15.245   1.082  -4.211
  116   2HG2  VAL  16          2HG2      VAL  16  13.942  -0.100  -4.342
  117   3HG2  VAL  16          3HG2      VAL  16  13.563   1.612  -4.154
  118    H    THR  17           H        THR  17  17.091   1.638  -6.638
  119    HA   THR  17           HA       THR  17  18.919  -0.085  -5.206
  120    HB   THR  17           HB       THR  17  19.653   2.726  -5.763
  121    HG1  THR  17           HG1      THR  17  19.328   2.625  -7.865
  122   1HG2  THR  17          1HG2      THR  17  21.726   1.673  -6.538
  123   2HG2  THR  17          2HG2      THR  17  20.996   0.084  -6.318
  124   3HG2  THR  17          3HG2      THR  17  21.289   1.121  -4.922
  125    H    VAL  18           H        VAL  18  19.938   0.672  -3.202
  126    HA   VAL  18           HA       VAL  18  18.246   1.938  -1.359
  127    HB   VAL  18           HB       VAL  18  21.203   1.820  -1.073
  128   1HG1  VAL  18          1HG1      VAL  18  19.001   1.955   0.949
  129   2HG1  VAL  18          2HG1      VAL  18  20.097   3.260   0.495
  130   3HG1  VAL  18          3HG1      VAL  18  20.720   1.835   1.325
  131   1HG2  VAL  18          1HG2      VAL  18  19.244  -0.304  -0.228
  132   2HG2  VAL  18          2HG2      VAL  18  20.968  -0.293   0.137
  133   3HG2  VAL  18          3HG2      VAL  18  20.422  -0.460  -1.534
  134    H    GLY  19           H        GLY  19  17.698   3.734  -1.737
  135   1HA   GLY  19          1HA       GLY  19  18.167   6.048  -1.070
  136   2HA   GLY  19          2HA       GLY  19  19.653   5.911  -1.995
  137    H    GLY  20           H        GLY  20  17.071   4.413  -3.683
  138   1HA   GLY  20          1HA       GLY  20  16.875   6.739  -5.400
  139   2HA   GLY  20          2HA       GLY  20  16.294   5.126  -5.737
  140    H    SER  21           H        SER  21  14.350   5.112  -5.871
  141    HA   SER  21           HA       SER  21  12.634   5.977  -3.808
  142   1HB   SER  21          1HB       SER  21  11.141   7.006  -5.532
  143   2HB   SER  21          2HB       SER  21  12.555   7.907  -5.077
  144    HG   SER  21           HG       SER  21  13.309   7.739  -7.042
  145    H    ILE  22           H        ILE  22  10.553   5.183  -4.092
  146    HA   ILE  22           HA       ILE  22   9.927   3.380  -6.178
  147    HB   ILE  22           HB       ILE  22  10.863   1.941  -4.467
  148   1HG1  ILE  22          1HG1      ILE  22   8.945   0.390  -4.303
  149   2HG1  ILE  22          2HG1      ILE  22   7.920   1.655  -4.954
  150   1HG2  ILE  22          1HG2      ILE  22  10.397   3.056  -2.432
  151   2HG2  ILE  22          2HG2      ILE  22   9.562   1.502  -2.390
  152   3HG2  ILE  22          3HG2      ILE  22   8.664   2.979  -2.738
  153   1HD1  ILE  22          1HD1      ILE  22   8.561   0.071  -6.682
  154   2HD1  ILE  22          2HD1      ILE  22  10.266   0.375  -6.350
  155   3HD1  ILE  22          3HD1      ILE  22   9.251   1.661  -7.004
  156    H    THR  23           H        THR  23   7.785   3.051  -6.260
  157    HA   THR  23           HA       THR  23   6.092   4.895  -4.800
  158    HB   THR  23           HB       THR  23   6.000   4.908  -7.806
  159    HG1  THR  23           HG1      THR  23   7.792   6.060  -6.224
  160   1HG2  THR  23          1HG2      THR  23   4.598   6.895  -7.467
  161   2HG2  THR  23          2HG2      THR  23   4.751   6.707  -5.718
  162   3HG2  THR  23          3HG2      THR  23   3.901   5.486  -6.664
  163    H    PHE  24           H        PHE  24   4.287   4.100  -4.320
  164    HA   PHE  24           HA       PHE  24   3.174   1.813  -5.791
  165   1HB   PHE  24          1HB       PHE  24   3.095   2.325  -2.804
  166   2HB   PHE  24          2HB       PHE  24   2.343   0.988  -3.644
  167    HD1  PHE  24           HD1      PHE  24   3.834  -0.676  -4.828
  168    HD2  PHE  24           HD2      PHE  24   5.306   2.199  -2.065
  169    HE1  PHE  24           HE1      PHE  24   5.885  -2.002  -4.556
  170    HE2  PHE  24           HE2      PHE  24   7.367   0.882  -1.785
  171    HZ   PHE  24           HZ       PHE  24   7.639  -1.229  -2.962
  172    H    SER  25           H        SER  25   1.001   1.910  -6.078
  173    HA   SER  25           HA       SER  25  -0.552   3.997  -4.804
  174   1HB   SER  25          1HB       SER  25  -1.141   3.312  -7.629
  175   2HB   SER  25          2HB       SER  25  -1.436   4.803  -6.763
  176    HG   SER  25           HG       SER  25   1.135   4.600  -6.767
  177    H    ALA  26           H        ALA  26  -2.260   3.206  -3.969
  178    HA   ALA  26           HA       ALA  26  -3.275   0.565  -4.782
  179   1HB   ALA  26          1HB       ALA  26  -3.736   0.125  -2.378
  180   2HB   ALA  26          2HB       ALA  26  -2.934   1.646  -1.975
  181   3HB   ALA  26          3HB       ALA  26  -2.018   0.347  -2.702
  182    H    ARG  27           H        ARG  27  -5.284   0.770  -5.551
  183    HA   ARG  27           HA       ARG  27  -6.913   3.054  -4.661
  184   1HB   ARG  27          1HB       ARG  27  -7.249   1.352  -7.140
  185   2HB   ARG  27          2HB       ARG  27  -8.123   2.830  -6.755
  186   1HG   ARG  27          1HG       ARG  27  -6.027   4.092  -6.895
  187   2HG   ARG  27          2HG       ARG  27  -5.172   2.605  -7.313
  188   1HD   ARG  27          1HD       ARG  27  -5.585   3.645  -9.370
  189   2HD   ARG  27          2HD       ARG  27  -6.831   2.398  -9.243
  190    HE   ARG  27           HE       ARG  27  -7.845   4.804  -8.201
  191   1HH1  ARG  27          1HH1      ARG  27  -6.868   3.435 -11.259
  192   2HH1  ARG  27          2HH1      ARG  27  -7.891   4.464 -12.204
  193   1HH2  ARG  27          1HH2      ARG  27  -9.193   6.196  -9.434
  194   2HH2  ARG  27          2HH2      ARG  27  -9.248   6.019 -11.160
  195    H    VAL  28           H        VAL  28  -8.761   2.703  -3.578
  196    HA   VAL  28           HA       VAL  28  -9.795  -0.025  -3.436
  197    HB   VAL  28           HB       VAL  28  -9.824   1.909  -1.128
  198   1HG1  VAL  28          1HG1      VAL  28 -11.593   0.162  -1.255
  199   2HG1  VAL  28          2HG1      VAL  28 -10.546   0.007   0.161
  200   3HG1  VAL  28          3HG1      VAL  28 -10.324  -1.063  -1.222
  201   1HG2  VAL  28          1HG2      VAL  28  -7.501   1.247  -1.705
  202   2HG2  VAL  28          2HG2      VAL  28  -7.971  -0.440  -1.508
  203   3HG2  VAL  28          3HG2      VAL  28  -8.022   0.652  -0.129
  204    H    ALA  29           H        ALA  29 -11.742  -0.145  -3.953
  205    HA   ALA  29           HA       ALA  29 -13.457   1.924  -4.671
  206   1HB   ALA  29          1HB       ALA  29 -14.101  -0.924  -3.946
  207   2HB   ALA  29          2HB       ALA  29 -13.707  -0.317  -5.557
  208   3HB   ALA  29          3HB       ALA  29 -15.196   0.193  -4.760
  209    H    GLY  30           H        GLY  30 -14.020   3.382  -3.249
  210   1HA   GLY  30          1HA       GLY  30 -14.552   3.240  -0.571
  211   2HA   GLY  30          2HA       GLY  30 -15.430   4.295  -1.667
  212    H    ALA  31           H        ALA  31 -16.986   2.776  -3.115
  213    HA   ALA  31           HA       ALA  31 -18.946   1.653  -3.209
  214   1HB   ALA  31          1HB       ALA  31 -19.036  -0.475  -1.974
  215   2HB   ALA  31          2HB       ALA  31 -17.553  -0.007  -1.138
  216   3HB   ALA  31          3HB       ALA  31 -17.545  -0.248  -2.886
  217    H    SER  32           H        SER  32 -20.570   0.395  -1.492
  218    HA   SER  32           HA       SER  32 -21.206   2.345   0.609
  219   1HB   SER  32          1HB       SER  32 -23.445   0.927   0.503
  220   2HB   SER  32          2HB       SER  32 -23.131   2.195  -0.684
  221    HG   SER  32           HG       SER  32 -23.104   0.729  -2.177
  222    H    LEU  33           H        LEU  33 -21.093   1.677   2.738
  223    HA   LEU  33           HA       LEU  33 -20.203  -1.091   3.145
  224   1HB   LEU  33          1HB       LEU  33 -19.263   1.193   4.813
  225   2HB   LEU  33          2HB       LEU  33 -18.571  -0.386   4.631
  226    HG   LEU  33           HG       LEU  33 -17.057   1.068   3.699
  227   1HD1  LEU  33          1HD1      LEU  33 -16.995   0.489   1.318
  228   2HD1  LEU  33          2HD1      LEU  33 -18.668  -0.055   1.409
  229   3HD1  LEU  33          3HD1      LEU  33 -17.415  -0.899   2.322
  230   1HD2  LEU  33          1HD2      LEU  33 -18.502   3.028   3.547
  231   2HD2  LEU  33          2HD2      LEU  33 -19.260   2.361   2.103
  232   3HD2  LEU  33          3HD2      LEU  33 -17.555   2.793   2.076
  233    H    LEU  34           H        LEU  34 -20.182  -1.677   5.485
  234    HA   LEU  34           HA       LEU  34 -22.194  -0.366   7.092
  235   1HB   LEU  34          1HB       LEU  34 -21.779  -2.800   7.342
  236   2HB   LEU  34          2HB       LEU  34 -20.141  -2.440   7.862
  237    HG   LEU  34           HG       LEU  34 -21.256  -1.014   9.682
  238   1HD1  LEU  34          1HD1      LEU  34 -23.472  -1.788  10.378
  239   2HD1  LEU  34          2HD1      LEU  34 -23.576  -2.773   8.918
  240   3HD1  LEU  34          3HD1      LEU  34 -23.498  -1.015   8.794
  241   1HD2  LEU  34          1HD2      LEU  34 -21.455  -2.951  11.166
  242   2HD2  LEU  34          2HD2      LEU  34 -20.027  -3.062  10.136
  243   3HD2  LEU  34          3HD2      LEU  34 -21.459  -4.021   9.764
  244    H    LYS  35           H        LYS  35 -18.729  -0.645   6.714
  245    HA   LYS  35           HA       LYS  35 -18.430   2.066   7.597
  246   1HB   LYS  35          1HB       LYS  35 -16.475   1.488   9.082
  247   2HB   LYS  35          2HB       LYS  35 -18.051   1.050   9.714
  248   1HG   LYS  35          1HG       LYS  35 -16.614  -0.736  10.232
  249   2HG   LYS  35          2HG       LYS  35 -17.599  -1.296   8.882
  250   1HD   LYS  35          1HD       LYS  35 -15.834  -1.193   7.387
  251   2HD   LYS  35          2HD       LYS  35 -14.953  -0.016   8.363
  252   1HE   LYS  35          1HE       LYS  35 -13.860  -2.188   8.438
  253   2HE   LYS  35          2HE       LYS  35 -14.468  -1.735  10.024
  254   1HZ   LYS  35          1HZ       LYS  35 -14.849  -4.082   9.408
  255   2HZ   LYS  35          2HZ       LYS  35 -15.892  -3.573   8.180
  256   3HZ   LYS  35          3HZ       LYS  35 -16.271  -3.251   9.799
  257    HA   PRO  36           HA       PRO  36 -15.762   2.558   4.198
  258   1HB   PRO  36          1HB       PRO  36 -13.979   3.969   6.133
  259   2HB   PRO  36          2HB       PRO  36 -14.565   4.500   4.554
  260   1HG   PRO  36          1HG       PRO  36 -15.646   5.476   6.773
  261   2HG   PRO  36          2HG       PRO  36 -16.664   5.072   5.376
  262   1HD   PRO  36          1HD       PRO  36 -16.291   3.599   7.946
  263   2HD   PRO  36          2HD       PRO  36 -17.747   3.778   6.947
  264    HA   PRO  37           HA       PRO  37 -12.955  -0.746   4.297
  265   1HB   PRO  37          1HB       PRO  37 -10.978   0.298   2.639
  266   2HB   PRO  37          2HB       PRO  37 -12.356  -0.688   2.164
  267   1HG   PRO  37          1HG       PRO  37 -11.973   2.228   1.916
  268   2HG   PRO  37          2HG       PRO  37 -13.003   1.141   0.969
  269   1HD   PRO  37          1HD       PRO  37 -13.949   2.896   2.842
  270   2HD   PRO  37          2HD       PRO  37 -14.781   1.396   2.376
  271    H    VAL  38           H        VAL  38 -11.507  -1.365   5.604
  272    HA   VAL  38           HA       VAL  38  -9.601   0.522   6.738
  273    HB   VAL  38           HB       VAL  38  -9.860  -2.244   7.736
  274   1HG1  VAL  38          1HG1      VAL  38  -9.170   0.359   9.061
  275   2HG1  VAL  38          2HG1      VAL  38  -8.043  -0.886   8.526
  276   3HG1  VAL  38          3HG1      VAL  38  -9.159  -1.219   9.852
  277   1HG2  VAL  38          1HG2      VAL  38 -11.552  -1.556   9.391
  278   2HG2  VAL  38          2HG2      VAL  38 -12.157  -1.520   7.736
  279   3HG2  VAL  38          3HG2      VAL  38 -11.709  -0.018   8.543
  280    H    VAL  39           H        VAL  39  -8.014   0.471   5.534
  281    HA   VAL  39           HA       VAL  39  -6.923  -2.033   4.534
  282    HB   VAL  39           HB       VAL  39  -6.037   0.575   3.448
  283   1HG1  VAL  39          1HG1      VAL  39  -4.854  -1.417   2.804
  284   2HG1  VAL  39          2HG1      VAL  39  -5.690  -0.733   1.408
  285   3HG1  VAL  39          3HG1      VAL  39  -6.353  -2.147   2.228
  286   1HG2  VAL  39          1HG2      VAL  39  -7.778   0.664   1.783
  287   2HG2  VAL  39          2HG2      VAL  39  -8.503   0.698   3.389
  288   3HG2  VAL  39          3HG2      VAL  39  -8.522  -0.790   2.441
  289    H    LYS  40           H        LYS  40  -5.371  -2.533   5.800
  290    HA   LYS  40           HA       LYS  40  -3.571  -0.556   6.815
  291   1HB   LYS  40          1HB       LYS  40  -2.606  -2.484   8.115
  292   2HB   LYS  40          2HB       LYS  40  -4.210  -1.976   8.572
  293   1HG   LYS  40          1HG       LYS  40  -4.424  -4.259   8.592
  294   2HG   LYS  40          2HG       LYS  40  -4.943  -3.879   6.952
  295   1HD   LYS  40          1HD       LYS  40  -3.461  -5.719   6.760
  296   2HD   LYS  40          2HD       LYS  40  -2.561  -4.304   6.220
  297   1HE   LYS  40          1HE       LYS  40  -0.971  -5.148   7.587
  298   2HE   LYS  40          2HE       LYS  40  -1.897  -4.300   8.827
  299   1HZ   LYS  40          1HZ       LYS  40  -3.023  -6.325   9.382
  300   2HZ   LYS  40          2HZ       LYS  40  -1.353  -6.620   9.411
  301   3HZ   LYS  40          3HZ       LYS  40  -2.288  -7.154   8.093
  302    H    TRP  41           H        TRP  41  -1.873  -0.229   5.995
  303    HA   TRP  41           HA       TRP  41  -0.737  -1.900   3.946
  304   1HB   TRP  41          1HB       TRP  41   0.037   0.752   5.127
  305   2HB   TRP  41          2HB       TRP  41   1.061  -0.103   3.981
  306    HD1  TRP  41           HD1      TRP  41  -2.454   1.461   4.206
  307    HE1  TRP  41           HE1      TRP  41  -3.065   2.264   1.815
  308    HE3  TRP  41           HE3      TRP  41   1.511  -0.470   1.612
  309    HZ2  TRP  41           HZ2      TRP  41  -2.068   2.002  -0.807
  310    HZ3  TRP  41           HZ3      TRP  41   1.593  -0.168  -0.831
  311    HH2  TRP  41           HH2      TRP  41  -0.179   1.054  -2.002
  312    H    PHE  42           H        PHE  42   1.282  -2.663   3.998
  313    HA   PHE  42           HA       PHE  42   2.644  -3.016   6.581
  314   1HB   PHE  42          1HB       PHE  42   1.157  -5.001   5.829
  315   2HB   PHE  42          2HB       PHE  42   2.286  -5.155   4.494
  316    HD1  PHE  42           HD1      PHE  42   4.508  -6.004   4.823
  317    HD2  PHE  42           HD2      PHE  42   1.784  -5.639   8.065
  318    HE1  PHE  42           HE1      PHE  42   5.978  -7.405   6.215
  319    HE2  PHE  42           HE2      PHE  42   3.240  -7.045   9.462
  320    HZ   PHE  42           HZ       PHE  42   5.236  -8.098   8.466
  321    H    LYS  43           H        LYS  43   4.757  -2.547   6.277
  322    HA   LYS  43           HA       LYS  43   5.507  -2.048   3.480
  323   1HB   LYS  43          1HB       LYS  43   5.811  -0.002   4.440
  324   2HB   LYS  43          2HB       LYS  43   6.172  -0.655   6.034
  325   1HG   LYS  43          1HG       LYS  43   8.398  -1.103   5.448
  326   2HG   LYS  43          2HG       LYS  43   8.070  -0.900   3.725
  327   1HD   LYS  43          1HD       LYS  43   7.911   1.378   3.888
  328   2HD   LYS  43          2HD       LYS  43   7.608   1.348   5.624
  329   1HE   LYS  43          1HE       LYS  43   9.938   0.509   5.931
  330   2HE   LYS  43          2HE       LYS  43  10.200   0.780   4.209
  331   1HZ   LYS  43          1HZ       LYS  43   9.727   3.118   4.538
  332   2HZ   LYS  43          2HZ       LYS  43  11.008   2.631   5.535
  333   3HZ   LYS  43          3HZ       LYS  43   9.464   2.862   6.189
  334    H    GLY  44           H        GLY  44   6.688  -3.823   2.825
  335   1HA   GLY  44          1HA       GLY  44   7.235  -5.521   5.084
  336   2HA   GLY  44          2HA       GLY  44   7.118  -6.060   3.431
  337    H    LYS  45           H        LYS  45   9.214  -4.482   5.772
  338    HA   LYS  45           HA       LYS  45  10.990  -6.675   5.029
  339   1HB   LYS  45          1HB       LYS  45  12.099  -5.802   7.289
  340   2HB   LYS  45          2HB       LYS  45  12.443  -4.999   5.776
  341   1HG   LYS  45          1HG       LYS  45  10.641  -3.361   6.318
  342   2HG   LYS  45          2HG       LYS  45  10.536  -4.112   7.918
  343   1HD   LYS  45          1HD       LYS  45  12.674  -2.400   6.749
  344   2HD   LYS  45          2HD       LYS  45  12.013  -2.416   8.382
  345   1HE   LYS  45          1HE       LYS  45  13.172  -4.674   8.649
  346   2HE   LYS  45          2HE       LYS  45  14.038  -4.283   7.168
  347   1HZ   LYS  45          1HZ       LYS  45  14.785  -2.211   8.307
  348   2HZ   LYS  45          2HZ       LYS  45  15.394  -3.639   8.991
  349   3HZ   LYS  45          3HZ       LYS  45  14.123  -2.811   9.745
  350    H    TRP  46           H        TRP  46   9.065  -5.299   7.570
  351    HA   TRP  46           HA       TRP  46   7.538  -7.666   8.125
  352   1HB   TRP  46          1HB       TRP  46   8.232  -7.466  10.574
  353   2HB   TRP  46          2HB       TRP  46   9.337  -8.293   9.492
  354    HD1  TRP  46           HD1      TRP  46  11.490  -6.865   8.689
  355    HE1  TRP  46           HE1      TRP  46  12.707  -4.891   9.731
  356    HE3  TRP  46           HE3      TRP  46   8.022  -5.585  12.216
  357    HZ2  TRP  46           HZ2      TRP  46  12.305  -3.056  11.861
  358    HZ3  TRP  46           HZ3      TRP  46   8.526  -3.723  13.739
  359    HH2  TRP  46           HH2      TRP  46  10.621  -2.487  13.563
  360    H    VAL  47           H        VAL  47   7.593  -4.506   7.842
  361    HA   VAL  47           HA       VAL  47   6.692  -3.604  10.357
  362    HB   VAL  47           HB       VAL  47   8.701  -2.851   8.646
  363   1HG1  VAL  47          1HG1      VAL  47   7.233  -1.652   7.222
  364   2HG1  VAL  47          2HG1      VAL  47   8.282  -0.542   8.105
  365   3HG1  VAL  47          3HG1      VAL  47   6.600  -0.755   8.600
  366   1HG2  VAL  47          1HG2      VAL  47   7.511  -1.342  10.941
  367   2HG2  VAL  47          2HG2      VAL  47   9.129  -1.104  10.279
  368   3HG2  VAL  47          3HG2      VAL  47   8.702  -2.637  11.040
  369    H    ASP  48           H        ASP  48   5.402  -1.753  10.277
  370    HA   ASP  48           HA       ASP  48   3.110  -1.818   8.534
  371   1HB   ASP  48          1HB       ASP  48   3.745  -0.599  11.218
  372   2HB   ASP  48          2HB       ASP  48   2.314  -0.176  10.320
  373    H    LEU  49           H        LEU  49   2.631   0.084   7.434
  374    HA   LEU  49           HA       LEU  49   4.701   2.053   7.169
  375   1HB   LEU  49          1HB       LEU  49   1.991   1.747   5.921
  376   2HB   LEU  49          2HB       LEU  49   2.845   3.272   5.827
  377    HG   LEU  49           HG       LEU  49   4.757   1.834   4.769
  378   1HD1  LEU  49          1HD1      LEU  49   4.072  -0.033   3.538
  379   2HD1  LEU  49          2HD1      LEU  49   2.370   0.219   3.938
  380   3HD1  LEU  49          3HD1      LEU  49   3.504  -0.321   5.185
  381   1HD2  LEU  49          1HD2      LEU  49   2.203   2.440   3.317
  382   2HD2  LEU  49          2HD2      LEU  49   3.808   2.269   2.598
  383   3HD2  LEU  49          3HD2      LEU  49   3.469   3.613   3.696
  384    H    SER  50           H        SER  50   1.911   1.703   9.108
  385    HA   SER  50           HA       SER  50   0.942   4.310   9.109
  386   1HB   SER  50          1HB       SER  50  -0.395   2.395   9.891
  387   2HB   SER  50          2HB       SER  50   0.713   2.167  11.242
  388    HG   SER  50           HG       SER  50  -1.347   3.429  11.560
  389    H    SER  51           H        SER  51   3.676   2.856  10.523
  390    HA   SER  51           HA       SER  51   3.798   4.902  12.500
  391   1HB   SER  51          1HB       SER  51   4.232   2.398  12.945
  392   2HB   SER  51          2HB       SER  51   5.830   2.743  12.301
  393    HG   SER  51           HG       SER  51   4.890   4.521  14.215
  394    H    LYS  52           H        LYS  52   5.204   3.970   9.574
  395    HA   LYS  52           HA       LYS  52   7.635   5.503   9.966
  396   1HB   LYS  52          1HB       LYS  52   7.203   4.146   7.401
  397   2HB   LYS  52          2HB       LYS  52   8.593   4.125   8.458
  398   1HG   LYS  52          1HG       LYS  52   6.123   2.449   8.686
  399   2HG   LYS  52          2HG       LYS  52   7.735   1.912   8.232
  400   1HD   LYS  52          1HD       LYS  52   7.024   3.066  10.926
  401   2HD   LYS  52          2HD       LYS  52   7.073   1.332  10.574
  402   1HE   LYS  52          1HE       LYS  52   9.431   1.443  10.123
  403   2HE   LYS  52          2HE       LYS  52   9.420   3.205  10.193
  404   1HZ   LYS  52          1HZ       LYS  52  10.297   2.260  12.230
  405   2HZ   LYS  52          2HZ       LYS  52   8.880   1.373  12.468
  406   3HZ   LYS  52          3HZ       LYS  52   8.840   3.066  12.542
  407    H    VAL  53           H        VAL  53   4.847   5.374   8.017
  408    HA   VAL  53           HA       VAL  53   5.031   7.054   6.006
  409    HB   VAL  53           HB       VAL  53   2.779   6.658   7.965
  410   1HG1  VAL  53          1HG1      VAL  53   1.304   7.512   6.114
  411   2HG1  VAL  53          2HG1      VAL  53   2.754   8.205   5.375
  412   3HG1  VAL  53          3HG1      VAL  53   2.227   8.755   6.968
  413   1HG2  VAL  53          1HG2      VAL  53   3.491   4.746   6.676
  414   2HG2  VAL  53          2HG2      VAL  53   3.289   5.666   5.183
  415   3HG2  VAL  53          3HG2      VAL  53   1.887   5.286   6.183
  416    H    GLY  54           H        GLY  54   6.341   8.591   6.183
  417   1HA   GLY  54          1HA       GLY  54   5.310  11.080   7.260
  418   2HA   GLY  54          2HA       GLY  54   6.798  10.547   8.029
  419    H    GLN  55           H        GLN  55   8.725  10.827   6.972
  420    HA   GLN  55           HA       GLN  55   8.626  12.973   5.078
  421   1HB   GLN  55          1HB       GLN  55  10.199  13.008   6.912
  422   2HB   GLN  55          2HB       GLN  55  10.961  11.536   6.330
  423   1HG   GLN  55          1HG       GLN  55  12.289  13.489   5.786
  424   2HG   GLN  55          2HG       GLN  55  11.697  12.694   4.327
  425   1HE2  GLN  55          1HE2      GLN  55  11.416  15.502   6.378
  426   2HE2  GLN  55          2HE2      GLN  55  10.551  16.485   5.245
  427    H    HIS  56           H        HIS  56  10.140   9.714   4.919
  428    HA   HIS  56           HA       HIS  56  10.640  10.215   2.078
  429   1HB   HIS  56          1HB       HIS  56  12.248   8.525   2.128
  430   2HB   HIS  56          2HB       HIS  56  12.414   9.325   3.680
  431    HD1  HIS  56           HD1      HIS  56  11.502   6.098   2.105
  432    HD2  HIS  56           HD2      HIS  56  11.658   7.777   5.904
  433    HE1  HIS  56           HE1      HIS  56  11.003   4.212   3.700
  434    HE2  HIS  56           HE2      HIS  56  11.486   5.202   5.984
  435    H    LEU  57           H        LEU  57   8.827   8.210   4.159
  436    HA   LEU  57           HA       LEU  57   7.424   6.998   1.883
  437   1HB   LEU  57          1HB       LEU  57   8.399   5.292   3.262
  438   2HB   LEU  57          2HB       LEU  57   7.894   6.059   4.735
  439    HG   LEU  57           HG       LEU  57   6.687   3.903   3.286
  440   1HD1  LEU  57          1HD1      LEU  57   5.976   5.315   5.828
  441   2HD1  LEU  57          2HD1      LEU  57   7.017   3.905   5.631
  442   3HD1  LEU  57          3HD1      LEU  57   5.291   3.779   5.293
  443   1HD2  LEU  57          1HD2      LEU  57   5.257   5.544   2.143
  444   2HD2  LEU  57          2HD2      LEU  57   4.787   6.219   3.703
  445   3HD2  LEU  57          3HD2      LEU  57   4.337   4.564   3.284
  446    H    GLN  58           H        GLN  58   5.903   8.543   1.580
  447    HA   GLN  58           HA       GLN  58   4.120   9.134   3.768
  448   1HB   GLN  58          1HB       GLN  58   3.943  10.138   0.930
  449   2HB   GLN  58          2HB       GLN  58   3.169  10.804   2.358
  450   1HG   GLN  58          1HG       GLN  58   4.824  12.303   2.055
  451   2HG   GLN  58          2HG       GLN  58   5.651  11.190   3.119
  452   1HE2  GLN  58          1HE2      GLN  58   7.336  10.029   2.359
  453   2HE2  GLN  58          2HE2      GLN  58   8.051  10.279   0.799
  454    H    LEU  59           H        LEU  59   2.645   7.718   3.961
  455    HA   LEU  59           HA       LEU  59   1.504   6.295   1.692
  456   1HB   LEU  59          1HB       LEU  59   2.227   5.103   3.872
  457   2HB   LEU  59          2HB       LEU  59   0.893   5.913   4.642
  458    HG   LEU  59           HG       LEU  59   0.794   3.709   2.601
  459   1HD1  LEU  59          1HD1      LEU  59   1.061   2.778   4.649
  460   2HD1  LEU  59          2HD1      LEU  59  -0.710   2.898   4.563
  461   3HD1  LEU  59          3HD1      LEU  59   0.217   4.104   5.474
  462   1HD2  LEU  59          1HD2      LEU  59  -0.845   5.335   1.915
  463   2HD2  LEU  59          2HD2      LEU  59  -1.485   5.417   3.562
  464   3HD2  LEU  59          3HD2      LEU  59  -1.632   3.924   2.632
  465    H    HIS  60           H        HIS  60   0.389   7.909   0.796
  466    HA   HIS  60           HA       HIS  60  -1.373   9.557   2.293
  467   1HB   HIS  60          1HB       HIS  60  -0.668   9.535  -0.626
  468   2HB   HIS  60          2HB       HIS  60  -1.776  10.657   0.119
  469    HD1  HIS  60           HD1      HIS  60   1.248  10.928  -1.284
  470    HD2  HIS  60           HD2      HIS  60   0.009  11.717   2.614
  471    HE1  HIS  60           HE1      HIS  60   2.895  12.605  -0.366
  472    HE2  HIS  60           HE2      HIS  60   2.073  13.143   1.953
  473    H    ASP  61           H        ASP  61  -3.373   9.907   1.479
  474    HA   ASP  61           HA       ASP  61  -4.685   7.786   0.094
  475   1HB   ASP  61          1HB       ASP  61  -6.630   8.283   1.747
  476   2HB   ASP  61          2HB       ASP  61  -5.415   7.073   2.070
  477    H    SER  62           H        SER  62  -5.676   8.447  -1.330
  478    HA   SER  62           HA       SER  62  -6.583  11.205  -1.618
  479   1HB   SER  62          1HB       SER  62  -6.808   9.196  -3.809
  480   2HB   SER  62          2HB       SER  62  -6.561  10.933  -3.923
  481    HG   SER  62           HG       SER  62  -4.637   9.064  -2.980
  482    H    TYR  63           H        TYR  63  -8.737  11.620  -2.281
  483    HA   TYR  63           HA       TYR  63 -10.551   9.531  -1.421
  484   1HB   TYR  63          1HB       TYR  63 -10.329  10.789   0.492
  485   2HB   TYR  63          2HB       TYR  63 -10.353  12.322  -0.359
  486    HD1  TYR  63           HD1      TYR  63 -12.293  13.579  -0.189
  487    HD2  TYR  63           HD2      TYR  63 -12.549   9.352   0.222
  488    HE1  TYR  63           HE1      TYR  63 -14.687  13.783   0.336
  489    HE2  TYR  63           HE2      TYR  63 -14.942   9.540   0.746
  490    HH   TYR  63           HH       TYR  63 -16.471  11.329   1.715
  491    H    ASP  64           H        ASP  64 -11.336   9.070  -3.254
  492    HA   ASP  64           HA       ASP  64 -12.910  11.119  -4.635
  493   1HB   ASP  64          1HB       ASP  64 -11.576   8.620  -5.477
  494   2HB   ASP  64          2HB       ASP  64 -13.028   9.101  -6.292
  495    H    ARG  65           H        ARG  65 -14.784  11.038  -3.559
  496    HA   ARG  65           HA       ARG  65 -16.056   8.533  -2.969
  497   1HB   ARG  65          1HB       ARG  65 -16.259  11.105  -1.941
  498   2HB   ARG  65          2HB       ARG  65 -17.786  10.850  -2.791
  499   1HG   ARG  65          1HG       ARG  65 -16.593   8.994  -0.777
  500   2HG   ARG  65          2HG       ARG  65 -17.881  10.157  -0.450
  501   1HD   ARG  65          1HD       ARG  65 -18.188   8.231  -2.702
  502   2HD   ARG  65          2HD       ARG  65 -18.450   7.638  -1.055
  503    HE   ARG  65           HE       ARG  65 -20.133   9.532  -0.890
  504   1HH1  ARG  65          1HH1      ARG  65 -19.296   8.140  -3.996
  505   2HH1  ARG  65          2HH1      ARG  65 -20.871   8.397  -4.684
  506   1HH2  ARG  65          1HH2      ARG  65 -22.197   9.939  -1.824
  507   2HH2  ARG  65          2HH2      ARG  65 -22.500   9.444  -3.464
  508    H    ALA  66           H        ALA  66 -16.446  11.194  -5.177
  509    HA   ALA  66           HA       ALA  66 -18.713  10.152  -6.521
  510   1HB   ALA  66          1HB       ALA  66 -18.151  12.556  -6.511
  511   2HB   ALA  66          2HB       ALA  66 -18.361  11.912  -8.139
  512   3HB   ALA  66          3HB       ALA  66 -16.740  12.203  -7.510
  513    H    SER  67           H        SER  67 -15.341   9.620  -6.726
  514    HA   SER  67           HA       SER  67 -15.639   8.119  -9.219
  515   1HB   SER  67          1HB       SER  67 -13.068   8.640  -7.712
  516   2HB   SER  67          2HB       SER  67 -13.246   8.082  -9.372
  517    HG   SER  67           HG       SER  67 -13.040  10.576  -8.520
  518    H    LYS  68           H        LYS  68 -15.465   7.915  -5.865
  519    HA   LYS  68           HA       LYS  68 -15.936   6.214  -4.448
  520   1HB   LYS  68          1HB       LYS  68 -17.429   5.584  -6.443
  521   2HB   LYS  68          2HB       LYS  68 -16.175   4.424  -6.845
  522   1HG   LYS  68          1HG       LYS  68 -17.754   3.199  -5.678
  523   2HG   LYS  68          2HG       LYS  68 -16.492   3.521  -4.497
  524   1HD   LYS  68          1HD       LYS  68 -18.842   5.354  -4.714
  525   2HD   LYS  68          2HD       LYS  68 -18.996   3.830  -3.844
  526   1HE   LYS  68          1HE       LYS  68 -16.876   4.599  -2.578
  527   2HE   LYS  68          2HE       LYS  68 -17.275   6.203  -3.204
  528   1HZ   LYS  68          1HZ       LYS  68 -18.969   4.473  -1.482
  529   2HZ   LYS  68          2HZ       LYS  68 -19.516   5.906  -2.200
  530   3HZ   LYS  68          3HZ       LYS  68 -18.261   5.948  -1.056
  531    H    VAL  69           H        VAL  69 -13.276   6.853  -5.330
  532    HA   VAL  69           HA       VAL  69 -11.954   4.289  -4.782
  533    HB   VAL  69           HB       VAL  69 -10.579   6.389  -6.377
  534   1HG1  VAL  69          1HG1      VAL  69  -9.254   4.609  -5.431
  535   2HG1  VAL  69          2HG1      VAL  69  -9.269   4.490  -7.192
  536   3HG1  VAL  69          3HG1      VAL  69 -10.267   3.403  -6.227
  537   1HG2  VAL  69          1HG2      VAL  69 -11.216   5.316  -8.477
  538   2HG2  VAL  69          2HG2      VAL  69 -12.637   5.933  -7.631
  539   3HG2  VAL  69          3HG2      VAL  69 -12.267   4.208  -7.597
  540    H    TYR  70           H        TYR  70 -11.000   4.485  -2.915
  541    HA   TYR  70           HA       TYR  70  -9.692   6.964  -2.187
  542   1HB   TYR  70          1HB       TYR  70  -9.598   4.407  -0.622
  543   2HB   TYR  70          2HB       TYR  70  -9.152   6.004  -0.073
  544    HD1  TYR  70           HD1      TYR  70 -11.743   3.586  -0.193
  545    HD2  TYR  70           HD2      TYR  70 -11.012   7.759   0.087
  546    HE1  TYR  70           HE1      TYR  70 -14.003   3.909   0.708
  547    HE2  TYR  70           HE2      TYR  70 -13.267   8.100   0.994
  548    HH   TYR  70           HH       TYR  70 -15.490   6.891   0.902
  549    H    LEU  71           H        LEU  71  -7.806   7.198  -2.995
  550    HA   LEU  71           HA       LEU  71  -6.232   4.882  -3.762
  551   1HB   LEU  71          1HB       LEU  71  -6.323   6.344  -5.626
  552   2HB   LEU  71          2HB       LEU  71  -6.026   7.761  -4.627
  553    HG   LEU  71           HG       LEU  71  -3.745   6.820  -4.122
  554   1HD1  LEU  71          1HD1      LEU  71  -4.447   4.922  -6.349
  555   2HD1  LEU  71          2HD1      LEU  71  -4.177   4.502  -4.656
  556   3HD1  LEU  71          3HD1      LEU  71  -2.847   5.127  -5.633
  557   1HD2  LEU  71          1HD2      LEU  71  -4.342   7.427  -7.006
  558   2HD2  LEU  71          2HD2      LEU  71  -2.753   7.490  -6.236
  559   3HD2  LEU  71          3HD2      LEU  71  -4.024   8.604  -5.731
  560    H    PHE  72           H        PHE  72  -5.231   4.267  -2.087
  561    HA   PHE  72           HA       PHE  72  -3.755   6.089  -0.416
  562   1HB   PHE  72          1HB       PHE  72  -3.912   3.112  -0.548
  563   2HB   PHE  72          2HB       PHE  72  -2.947   3.963   0.639
  564    HD1  PHE  72           HD1      PHE  72  -6.353   3.150  -0.475
  565    HD2  PHE  72           HD2      PHE  72  -3.969   4.974   2.543
  566    HE1  PHE  72           HE1      PHE  72  -8.309   3.224   1.020
  567    HE2  PHE  72           HE2      PHE  72  -5.915   5.049   4.044
  568    HZ   PHE  72           HZ       PHE  72  -8.089   4.172   3.284
  569    H    GLU  73           H        GLU  73  -2.028   6.819  -1.190
  570    HA   GLU  73           HA       GLU  73  -0.518   5.271  -3.143
  571   1HB   GLU  73          1HB       GLU  73   0.263   7.426  -4.095
  572   2HB   GLU  73          2HB       GLU  73  -1.441   7.099  -4.326
  573   1HG   GLU  73          1HG       GLU  73  -1.988   9.023  -3.355
  574   2HG   GLU  73          2HG       GLU  73  -1.075   8.589  -1.911
  575    H    LEU  74           H        LEU  74   1.422   4.907  -2.748
  576    HA   LEU  74           HA       LEU  74   2.631   6.016  -0.379
  577   1HB   LEU  74          1HB       LEU  74   3.756   3.945  -2.246
  578   2HB   LEU  74          2HB       LEU  74   4.373   4.363  -0.662
  579    HG   LEU  74           HG       LEU  74   2.187   2.592  -1.449
  580   1HD1  LEU  74          1HD1      LEU  74   4.115   2.756   0.818
  581   2HD1  LEU  74          2HD1      LEU  74   4.169   1.673  -0.575
  582   3HD1  LEU  74          3HD1      LEU  74   2.909   1.479   0.647
  583   1HD2  LEU  74          1HD2      LEU  74   0.977   2.874   0.668
  584   2HD2  LEU  74          2HD2      LEU  74   0.859   4.297  -0.369
  585   3HD2  LEU  74          3HD2      LEU  74   1.961   4.299   1.013
  586    H    HIS  75           H        HIS  75   4.130   7.342  -0.458
  587    HA   HIS  75           HA       HIS  75   5.683   7.628  -2.932
  588   1HB   HIS  75          1HB       HIS  75   4.623   9.758  -1.112
  589   2HB   HIS  75          2HB       HIS  75   6.278   9.950  -1.689
  590    HD1  HIS  75           HD1      HIS  75   2.706   9.894  -2.935
  591    HD2  HIS  75           HD2      HIS  75   6.556  10.621  -4.355
  592    HE1  HIS  75           HE1      HIS  75   2.417  10.910  -5.215
  593    HE2  HIS  75           HE2      HIS  75   4.751  11.264  -6.092
  594    H    ILE  76           H        ILE  76   7.178   6.206  -2.406
  595    HA   ILE  76           HA       ILE  76   8.444   6.590   0.210
  596    HB   ILE  76           HB       ILE  76   8.024   3.984  -1.193
  597   1HG1  ILE  76          1HG1      ILE  76   6.650   5.213   1.196
  598   2HG1  ILE  76          2HG1      ILE  76   5.902   4.601  -0.304
  599   1HG2  ILE  76          1HG2      ILE  76   9.249   4.546   1.505
  600   2HG2  ILE  76          2HG2      ILE  76  10.122   4.021   0.065
  601   3HG2  ILE  76          3HG2      ILE  76   8.957   2.945   0.830
  602   1HD1  ILE  76          1HD1      ILE  76   5.543   3.107   1.574
  603   2HD1  ILE  76          2HD1      ILE  76   7.286   2.924   1.772
  604   3HD1  ILE  76          3HD1      ILE  76   6.500   2.342   0.305
  605    H    THR  77           H        THR  77  10.123   7.581  -0.398
  606    HA   THR  77           HA       THR  77  11.679   6.640  -2.585
  607    HB   THR  77           HB       THR  77  12.996   8.712  -2.223
  608    HG1  THR  77           HG1      THR  77  12.584   9.263  -0.127
  609   1HG2  THR  77          1HG2      THR  77  10.065   9.247  -2.618
  610   2HG2  THR  77          2HG2      THR  77  11.100   8.483  -3.828
  611   3HG2  THR  77          3HG2      THR  77  11.427  10.141  -3.301
  612    H    ASP  78           H        ASP  78  13.823   6.701  -2.213
  613    HA   ASP  78           HA       ASP  78  15.556   5.513  -1.515
  614   1HB   ASP  78          1HB       ASP  78  16.530   6.392   0.535
  615   2HB   ASP  78          2HB       ASP  78  16.163   7.554  -0.705
  616    H    ALA  79           H        ALA  79  14.720   3.671  -1.525
  617    HA   ALA  79           HA       ALA  79  13.653   2.358   0.793
  618   1HB   ALA  79          1HB       ALA  79  13.924   0.275  -0.551
  619   2HB   ALA  79          2HB       ALA  79  14.626   1.255  -1.843
  620   3HB   ALA  79          3HB       ALA  79  12.952   1.517  -1.347
  621    H    GLN  80           H        GLN  80  14.766   1.274   2.285
  622    HA   GLN  80           HA       GLN  80  17.664   1.462   2.099
  623   1HB   GLN  80          1HB       GLN  80  17.659   1.759   4.327
  624   2HB   GLN  80          2HB       GLN  80  15.931   2.017   4.148
  625   1HG   GLN  80          1HG       GLN  80  15.410  -0.119   4.882
  626   2HG   GLN  80          2HG       GLN  80  17.047  -0.719   4.607
  627   1HE2  GLN  80          1HE2      GLN  80  18.675  -0.182   6.045
  628   2HE2  GLN  80          2HE2      GLN  80  18.323   0.388   7.643
  629    HA   PRO  81           HA       PRO  81  18.336  -2.538   0.840
  630   1HB   PRO  81          1HB       PRO  81  20.389  -3.466   2.387
  631   2HB   PRO  81          2HB       PRO  81  20.591  -2.262   1.110
  632   1HG   PRO  81          1HG       PRO  81  20.327  -1.862   4.066
  633   2HG   PRO  81          2HG       PRO  81  21.442  -1.084   2.927
  634   1HD   PRO  81          1HD       PRO  81  19.222   0.157   3.794
  635   2HD   PRO  81          2HD       PRO  81  19.820   0.367   2.134
  636    H    ALA  82           H        ALA  82  17.514  -2.192   4.139
  637    HA   ALA  82           HA       ALA  82  17.343  -5.059   4.573
  638   1HB   ALA  82          1HB       ALA  82  16.825  -4.493   6.879
  639   2HB   ALA  82          2HB       ALA  82  16.758  -2.781   6.456
  640   3HB   ALA  82          3HB       ALA  82  18.283  -3.660   6.342
  641    H    PHE  83           H        PHE  83  15.415  -3.194   2.831
  642    HA   PHE  83           HA       PHE  83  12.931  -3.796   4.226
  643   1HB   PHE  83          1HB       PHE  83  13.637  -2.327   1.680
  644   2HB   PHE  83          2HB       PHE  83  11.988  -2.676   2.139
  645    HD1  PHE  83           HD1      PHE  83  13.260  -2.275   5.186
  646    HD2  PHE  83           HD2      PHE  83  12.616   0.096   1.692
  647    HE1  PHE  83           HE1      PHE  83  13.210  -0.253   6.573
  648    HE2  PHE  83           HE2      PHE  83  12.572   2.114   3.082
  649    HZ   PHE  83           HZ       PHE  83  12.873   1.946   5.516
  650    H    THR  84           H        THR  84  14.463  -4.635   1.108
  651    HA   THR  84           HA       THR  84  13.362  -5.550  -0.698
  652    HB   THR  84           HB       THR  84  13.222  -7.835   1.247
  653    HG1  THR  84           HG1      THR  84  15.330  -7.605   1.266
  654   1HG2  THR  84          1HG2      THR  84  13.327  -7.654  -1.769
  655   2HG2  THR  84          2HG2      THR  84  12.052  -8.367  -0.775
  656   3HG2  THR  84          3HG2      THR  84  13.629  -9.154  -0.884
  657    H    GLY  85           H        GLY  85  11.669  -4.078  -0.330
  658   1HA   GLY  85          1HA       GLY  85   9.749  -4.426   1.705
  659   2HA   GLY  85          2HA       GLY  85   9.747  -3.183   0.475
  660    H    GLY  86           H        GLY  86   8.838  -6.279   1.320
  661   1HA   GLY  86          1HA       GLY  86   6.918  -6.514  -0.822
  662   2HA   GLY  86          2HA       GLY  86   7.119  -7.623   0.519
  663    H    TYR  87           H        TYR  87   5.986  -4.567  -0.453
  664    HA   TYR  87           HA       TYR  87   4.669  -3.931   2.015
  665   1HB   TYR  87          1HB       TYR  87   4.446  -2.758  -0.770
  666   2HB   TYR  87          2HB       TYR  87   3.629  -2.114   0.650
  667    HD1  TYR  87           HD1      TYR  87   7.069  -3.113  -0.385
  668    HD2  TYR  87           HD2      TYR  87   4.644  -0.304   1.696
  669    HE1  TYR  87           HE1      TYR  87   9.058  -1.776   0.132
  670    HE2  TYR  87           HE2      TYR  87   6.639   1.028   2.233
  671    HH   TYR  87           HH       TYR  87   9.078   0.700   2.427
  672    H    ARG  88           H        ARG  88   2.580  -4.407   2.538
  673    HA   ARG  88           HA       ARG  88   0.984  -5.807   0.502
  674   1HB   ARG  88          1HB       ARG  88   1.209  -6.516   3.435
  675   2HB   ARG  88          2HB       ARG  88   0.088  -7.257   2.302
  676   1HG   ARG  88          1HG       ARG  88   2.010  -8.111   1.012
  677   2HG   ARG  88          2HG       ARG  88   3.093  -7.421   2.228
  678   1HD   ARG  88          1HD       ARG  88   1.954  -8.792   3.946
  679   2HD   ARG  88          2HD       ARG  88   0.992  -9.538   2.673
  680    HE   ARG  88           HE       ARG  88   3.456 -10.063   1.808
  681   1HH1  ARG  88          1HH1      ARG  88   2.019 -10.356   4.993
  682   2HH1  ARG  88          2HH1      ARG  88   3.059 -11.660   5.485
  683   1HH2  ARG  88          1HH2      ARG  88   4.809 -11.801   2.433
  684   2HH2  ARG  88          2HH2      ARG  88   4.634 -12.499   4.017
  685    H    CYS  89           H        CYS  89  -1.074  -5.122   0.326
  686    HA   CYS  89           HA       CYS  89  -2.121  -3.495   2.558
  687   1HB   CYS  89          1HB       CYS  89  -3.448  -3.667  -0.115
  688   2HB   CYS  89          2HB       CYS  89  -3.616  -2.425   1.106
  689    HG   CYS  89           HG       CYS  89  -0.649  -1.941   0.522
  690    H    GLU  90           H        GLU  90  -3.361  -4.635   3.807
  691    HA   GLU  90           HA       GLU  90  -4.994  -6.789   2.655
  692   1HB   GLU  90          1HB       GLU  90  -4.093  -6.368   5.505
  693   2HB   GLU  90          2HB       GLU  90  -5.052  -7.730   4.943
  694   1HG   GLU  90          1HG       GLU  90  -3.197  -8.474   3.559
  695   2HG   GLU  90          2HG       GLU  90  -2.250  -7.073   4.045
  696    H    VAL  91           H        VAL  91  -6.898  -5.865   2.153
  697    HA   VAL  91           HA       VAL  91  -7.883  -3.736   3.899
  698    HB   VAL  91           HB       VAL  91  -7.723  -3.021   1.635
  699   1HG1  VAL  91          1HG1      VAL  91  -7.755  -5.110   0.463
  700   2HG1  VAL  91          2HG1      VAL  91  -9.045  -4.085  -0.172
  701   3HG1  VAL  91          3HG1      VAL  91  -9.425  -5.398   0.942
  702   1HG2  VAL  91          1HG2      VAL  91 -10.596  -3.509   2.401
  703   2HG2  VAL  91          2HG2      VAL  91 -10.058  -2.367   1.170
  704   3HG2  VAL  91          3HG2      VAL  91  -9.599  -2.126   2.856
  705    H    SER  92           H        SER  92  -9.696  -3.773   4.900
  706    HA   SER  92           HA       SER  92 -11.435  -6.122   4.665
  707   1HB   SER  92          1HB       SER  92 -10.019  -6.497   6.638
  708   2HB   SER  92          2HB       SER  92 -10.418  -4.895   7.252
  709    HG   SER  92           HG       SER  92 -12.040  -7.203   7.081
  710    H    THR  93           H        THR  93 -13.220  -5.284   3.897
  711    HA   THR  93           HA       THR  93 -14.309  -2.866   5.174
  712    HB   THR  93           HB       THR  93 -14.836  -3.487   2.321
  713    HG1  THR  93           HG1      THR  93 -12.443  -3.314   2.954
  714   1HG2  THR  93          1HG2      THR  93 -15.102  -1.079   2.173
  715   2HG2  THR  93          2HG2      THR  93 -14.614  -0.918   3.861
  716   3HG2  THR  93          3HG2      THR  93 -16.118  -1.747   3.452
  717    H    LYS  94           H        LYS  94 -16.630  -2.779   5.027
  718    HA   LYS  94           HA       LYS  94 -18.337  -4.058   6.087
  719   1HB   LYS  94          1HB       LYS  94 -19.754  -4.676   3.891
  720   2HB   LYS  94          2HB       LYS  94 -19.625  -3.070   4.568
  721   1HG   LYS  94          1HG       LYS  94 -19.332  -2.775   2.284
  722   2HG   LYS  94          2HG       LYS  94 -17.702  -2.705   2.937
  723   1HD   LYS  94          1HD       LYS  94 -17.929  -3.989   0.815
  724   2HD   LYS  94          2HD       LYS  94 -17.216  -4.893   2.145
  725   1HE   LYS  94          1HE       LYS  94 -18.906  -6.120   0.708
  726   2HE   LYS  94          2HE       LYS  94 -19.142  -6.187   2.452
  727   1HZ   LYS  94          1HZ       LYS  94 -20.881  -4.553   2.295
  728   2HZ   LYS  94          2HZ       LYS  94 -21.210  -5.817   1.212
  729   3HZ   LYS  94          3HZ       LYS  94 -20.609  -4.335   0.634
  730    H    ASP  95           H        ASP  95 -17.643  -5.898   3.199
  731    HA   ASP  95           HA       ASP  95 -17.548  -8.352   4.657
  732   1HB   ASP  95          1HB       ASP  95 -19.918  -7.542   3.697
  733   2HB   ASP  95          2HB       ASP  95 -19.294  -8.361   2.279
  734    H    LYS  96           H        LYS  96 -16.241  -6.369   2.360
  735    HA   LYS  96           HA       LYS  96 -15.589  -8.501   0.526
  736   1HB   LYS  96          1HB       LYS  96 -15.983  -5.676  -0.004
  737   2HB   LYS  96          2HB       LYS  96 -14.355  -6.152  -0.411
  738   1HG   LYS  96          1HG       LYS  96 -16.697  -7.759  -1.322
  739   2HG   LYS  96          2HG       LYS  96 -16.135  -6.346  -2.220
  740   1HD   LYS  96          1HD       LYS  96 -14.062  -7.328  -2.686
  741   2HD   LYS  96          2HD       LYS  96 -14.251  -8.540  -1.419
  742   1HE   LYS  96          1HE       LYS  96 -14.509  -9.377  -3.781
  743   2HE   LYS  96          2HE       LYS  96 -15.840  -9.748  -2.691
  744   1HZ   LYS  96          1HZ       LYS  96 -15.827  -7.493  -4.622
  745   2HZ   LYS  96          2HZ       LYS  96 -17.127  -7.987  -3.651
  746   3HZ   LYS  96          3HZ       LYS  96 -16.573  -8.989  -4.894
  747    H    PHE  97           H        PHE  97 -13.688  -9.324   0.509
  748    HA   PHE  97           HA       PHE  97 -11.538  -8.003   2.015
  749   1HB   PHE  97          1HB       PHE  97 -12.638  -9.765   3.341
  750   2HB   PHE  97          2HB       PHE  97 -12.153 -10.938   2.134
  751    HD1  PHE  97           HD1      PHE  97 -10.781  -8.430   4.496
  752    HD2  PHE  97           HD2      PHE  97 -10.107 -11.997   2.284
  753    HE1  PHE  97           HE1      PHE  97  -8.624  -8.726   5.642
  754    HE2  PHE  97           HE2      PHE  97  -7.950 -12.303   3.420
  755    HZ   PHE  97           HZ       PHE  97  -7.220 -10.682   5.133
  756    H    ASP  98           H        ASP  98  -9.750  -7.838   1.016
  757    HA   ASP  98           HA       ASP  98  -8.746  -9.923  -0.747
  758   1HB   ASP  98          1HB       ASP  98  -9.365  -7.133  -1.661
  759   2HB   ASP  98          2HB       ASP  98  -8.032  -8.019  -2.384
  760    H    CYS  99           H        CYS  99  -6.426  -9.639  -1.209
  761    HA   CYS  99           HA       CYS  99  -5.064  -7.607   0.395
  762   1HB   CYS  99          1HB       CYS  99  -4.296 -10.526   0.485
  763   2HB   CYS  99          2HB       CYS  99  -3.494  -9.208   1.330
  764    HG   CYS  99           HG       CYS  99  -6.462  -8.878   2.347
  765    H    SER 100           H        SER 100  -3.019  -7.024  -0.371
  766    HA   SER 100           HA       SER 100  -2.373  -8.108  -3.043
  767   1HB   SER 100          1HB       SER 100  -1.922  -5.808  -3.848
  768   2HB   SER 100          2HB       SER 100  -3.571  -5.976  -3.275
  769    HG   SER 100           HG       SER 100  -1.530  -4.411  -2.304
  770    H    ASN 101           H        ASN 101  -0.254  -8.489  -3.461
  771    HA   ASN 101           HA       ASN 101   1.658  -7.547  -1.440
  772   1HB   ASN 101          1HB       ASN 101   2.819  -9.609  -1.417
  773   2HB   ASN 101          2HB       ASN 101   1.119 -10.002  -1.259
  774   1HD2  ASN 101          1HD2      ASN 101   0.618  -9.656  -4.177
  775   2HD2  ASN 101          2HD2      ASN 101   1.305 -11.065  -4.905
  776    H    PHE 102           H        PHE 102   3.380  -6.503  -2.130
  777    HA   PHE 102           HA       PHE 102   4.250  -6.732  -4.905
  778   1HB   PHE 102          1HB       PHE 102   4.344  -4.049  -4.662
  779   2HB   PHE 102          2HB       PHE 102   2.994  -4.909  -5.380
  780    HD1  PHE 102           HD1      PHE 102   3.995  -2.600  -2.874
  781    HD2  PHE 102           HD2      PHE 102   1.042  -5.511  -3.786
  782    HE1  PHE 102           HE1      PHE 102   2.483  -1.569  -1.243
  783    HE2  PHE 102           HE2      PHE 102  -0.486  -4.468  -2.175
  784    HZ   PHE 102           HZ       PHE 102   0.257  -2.572  -0.831
  785    H    ASN 103           H        ASN 103   6.405  -6.908  -4.927
  786    HA   ASN 103           HA       ASN 103   7.773  -6.341  -2.433
  787   1HB   ASN 103          1HB       ASN 103   9.465  -7.966  -3.697
  788   2HB   ASN 103          2HB       ASN 103   8.184  -8.534  -2.665
  789   1HD2  ASN 103          1HD2      ASN 103   9.415  -8.341  -5.825
  790   2HD2  ASN 103          2HD2      ASN 103   8.238  -9.361  -6.553
  791    H    LEU 104           H        LEU 104   9.326  -5.076  -2.291
  792    HA   LEU 104           HA       LEU 104  10.410  -3.720  -4.659
  793   1HB   LEU 104          1HB       LEU 104   9.747  -1.953  -3.405
  794   2HB   LEU 104          2HB       LEU 104   9.806  -2.841  -1.891
  795    HG   LEU 104           HG       LEU 104  12.422  -2.459  -2.808
  796   1HD1  LEU 104          1HD1      LEU 104  11.594  -0.773  -4.296
  797   2HD1  LEU 104          2HD1      LEU 104  12.543  -0.032  -3.005
  798   3HD1  LEU 104          3HD1      LEU 104  10.780   0.034  -2.953
  799   1HD2  LEU 104          1HD2      LEU 104  11.917  -0.576  -0.779
  800   2HD2  LEU 104          2HD2      LEU 104  12.645  -2.171  -0.602
  801   3HD2  LEU 104          3HD2      LEU 104  10.893  -1.970  -0.431
  802    H    THR 105           H        THR 105  12.273  -4.514  -5.300
  803    HA   THR 105           HA       THR 105  14.018  -5.823  -3.381
  804    HB   THR 105           HB       THR 105  14.491  -5.571  -6.346
  805    HG1  THR 105           HG1      THR 105  12.481  -6.660  -5.867
  806   1HG2  THR 105          1HG2      THR 105  15.900  -7.559  -5.993
  807   2HG2  THR 105          2HG2      THR 105  15.534  -7.499  -4.267
  808   3HG2  THR 105          3HG2      THR 105  16.443  -6.189  -5.020
  809    H    VAL 106           H        VAL 106  15.009  -4.306  -2.265
  810    HA   VAL 106           HA       VAL 106  16.022  -1.930  -3.459
  811    HB   VAL 106           HB       VAL 106  15.071  -1.727  -1.238
  812   1HG1  VAL 106          1HG1      VAL 106  17.125  -3.686  -0.358
  813   2HG1  VAL 106          2HG1      VAL 106  15.375  -3.914  -0.434
  814   3HG1  VAL 106          3HG1      VAL 106  16.062  -2.751   0.699
  815   1HG2  VAL 106          1HG2      VAL 106  16.856  -0.204  -1.830
  816   2HG2  VAL 106          2HG2      VAL 106  18.046  -1.361  -1.214
  817   3HG2  VAL 106          3HG2      VAL 106  16.907  -0.595  -0.107
  818    H    HIS 107           H        HIS 107  17.733  -1.883  -4.367
  819    HA   HIS 107           HA       HIS 107  19.703  -3.968  -4.291
  820   1HB   HIS 107          1HB       HIS 107  19.356  -1.517  -6.009
  821   2HB   HIS 107          2HB       HIS 107  20.806  -2.509  -6.087
  822    HD1  HIS 107           HD1      HIS 107  20.518  -3.459  -8.371
  823    HD2  HIS 107           HD2      HIS 107  17.161  -4.004  -5.977
  824    HE1  HIS 107           HE1      HIS 107  18.963  -4.921  -9.692
  825    HE2  HIS 107           HE2      HIS 107  17.020  -5.398  -8.165
  826    H    GLU 108           H        GLU 108  20.705  -3.790  -2.423
  827    HA   GLU 108           HA       GLU 108  22.139  -1.446  -1.585
  828   1HB   GLU 108          1HB       GLU 108  21.408  -3.668  -0.284
  829   2HB   GLU 108          2HB       GLU 108  23.016  -4.180  -0.763
  830   1HG   GLU 108          1HG       GLU 108  22.349  -1.741   0.863
  831   2HG   GLU 108          2HG       GLU 108  22.996  -3.255   1.482
  832    H    ALA 109           H        ALA 109  23.112  -4.577  -2.940
  833    HA   ALA 109           HA       ALA 109  25.781  -3.687  -3.487
  834   1HB   ALA 109          1HB       ALA 109  25.382  -5.998  -2.846
  835   2HB   ALA 109          2HB       ALA 109  26.090  -5.918  -4.459
  836   3HB   ALA 109          3HB       ALA 109  24.366  -6.234  -4.268
  837    H    MET 110           H        MET 110  26.659  -3.140  -5.399
  838    HA   MET 110           HA       MET 110  24.807  -2.683  -7.624
  839   1HB   MET 110          1HB       MET 110  26.627  -1.106  -8.433
  840   2HB   MET 110          2HB       MET 110  25.776  -0.624  -6.973
  841   1HG   MET 110          1HG       MET 110  27.648  -1.464  -5.624
  842   2HG   MET 110          2HG       MET 110  28.499  -1.901  -7.104
  843   1HE   MET 110          1HE       MET 110  29.360  -0.200  -8.875
  844   2HE   MET 110          2HE       MET 110  29.221   1.552  -8.738
  845   3HE   MET 110          3HE       MET 110  27.783   0.575  -9.034
  Start of MODEL   29
    1    H    ASP   1           H        ASP   1 -18.824 -12.534   1.122
    2    HA   ASP   1           HA       ASP   1 -17.790  -9.747   0.922
    3   1HB   ASP   1          1HB       ASP   1 -16.520 -10.551  -0.979
    4   2HB   ASP   1          2HB       ASP   1 -16.109 -11.508   0.436
    5    H    ASP   2           H        ASP   2 -19.053  -8.467  -0.022
    6    HA   ASP   2           HA       ASP   2 -21.228  -9.456  -1.731
    7   1HB   ASP   2          1HB       ASP   2 -22.117  -8.429   0.205
    8   2HB   ASP   2          2HB       ASP   2 -20.881  -7.184   0.210
    9    HA   PRO   3           HA       PRO   3 -19.587  -7.490  -5.382
   10   1HB   PRO   3          1HB       PRO   3 -21.843  -5.876  -5.979
   11   2HB   PRO   3          2HB       PRO   3 -21.457  -7.469  -6.637
   12   1HG   PRO   3          1HG       PRO   3 -23.259  -6.727  -4.398
   13   2HG   PRO   3          2HG       PRO   3 -23.384  -8.072  -5.546
   14   1HD   PRO   3          1HD       PRO   3 -22.633  -8.489  -3.015
   15   2HD   PRO   3          2HD       PRO   3 -21.873  -9.386  -4.346
   16    H    ILE   4           H        ILE   4 -18.019  -6.259  -4.400
   17    HA   ILE   4           HA       ILE   4 -18.615  -3.369  -4.224
   18    HB   ILE   4           HB       ILE   4 -16.885  -5.115  -2.519
   19   1HG1  ILE   4          1HG1      ILE   4 -17.659  -3.482  -0.762
   20   2HG1  ILE   4          2HG1      ILE   4 -18.625  -2.692  -2.000
   21   1HG2  ILE   4          1HG2      ILE   4 -16.299  -2.177  -2.903
   22   2HG2  ILE   4          2HG2      ILE   4 -15.307  -3.496  -3.523
   23   3HG2  ILE   4          3HG2      ILE   4 -15.495  -3.280  -1.787
   24   1HD1  ILE   4          1HD1      ILE   4 -18.896  -5.520  -1.067
   25   2HD1  ILE   4          2HD1      ILE   4 -19.869  -4.753  -2.326
   26   3HD1  ILE   4          3HD1      ILE   4 -19.962  -4.174  -0.662
   27    H    GLY   5           H        GLY   5 -15.848  -5.539  -4.496
   28   1HA   GLY   5          1HA       GLY   5 -14.285  -5.658  -6.291
   29   2HA   GLY   5          2HA       GLY   5 -15.018  -4.206  -6.969
   30    H    LEU   6           H        LEU   6 -13.791  -5.101  -3.862
   31    HA   LEU   6           HA       LEU   6 -13.268  -2.528  -3.002
   32   1HB   LEU   6          1HB       LEU   6 -13.624  -4.819  -1.822
   33   2HB   LEU   6          2HB       LEU   6 -11.887  -4.964  -1.953
   34    HG   LEU   6           HG       LEU   6 -11.540  -3.149  -0.495
   35   1HD1  LEU   6          1HD1      LEU   6 -13.393  -1.726  -1.454
   36   2HD1  LEU   6          2HD1      LEU   6 -13.166  -1.639   0.292
   37   3HD1  LEU   6          3HD1      LEU   6 -14.478  -2.604  -0.375
   38   1HD2  LEU   6          1HD2      LEU   6 -12.672  -3.891   1.494
   39   2HD2  LEU   6          2HD2      LEU   6 -12.144  -5.257   0.510
   40   3HD2  LEU   6          3HD2      LEU   6 -13.837  -4.764   0.501
   41    H    PHE   7           H        PHE   7 -11.152  -5.012  -4.320
   42    HA   PHE   7           HA       PHE   7  -8.978  -3.116  -4.388
   43   1HB   PHE   7          1HB       PHE   7  -9.112  -5.907  -4.204
   44   2HB   PHE   7          2HB       PHE   7  -8.393  -5.555  -5.777
   45    HD1  PHE   7           HD1      PHE   7  -8.103  -4.761  -2.157
   46    HD2  PHE   7           HD2      PHE   7  -6.177  -4.931  -5.944
   47    HE1  PHE   7           HE1      PHE   7  -5.946  -4.298  -1.075
   48    HE2  PHE   7           HE2      PHE   7  -4.023  -4.480  -4.868
   49    HZ   PHE   7           HZ       PHE   7  -3.894  -4.179  -2.437
   50    H    VAL   8           H        VAL   8  -9.842  -1.673  -5.737
   51    HA   VAL   8           HA       VAL   8 -10.898  -2.135  -8.290
   52    HB   VAL   8           HB       VAL   8  -9.441   0.329  -7.308
   53   1HG1  VAL   8          1HG1      VAL   8 -11.526   0.000  -9.464
   54   2HG1  VAL   8          2HG1      VAL   8  -9.810   0.327  -9.717
   55   3HG1  VAL   8          3HG1      VAL   8 -10.832   1.526  -8.922
   56   1HG2  VAL   8          1HG2      VAL   8 -11.198  -0.323  -5.734
   57   2HG2  VAL   8          2HG2      VAL   8 -12.361  -0.415  -7.061
   58   3HG2  VAL   8          3HG2      VAL   8 -11.656   1.138  -6.616
   59    H    MET   9           H        MET   9  -7.625  -1.490  -7.156
   60    HA   MET   9           HA       MET   9  -6.542  -2.824  -9.481
   61   1HB   MET   9          1HB       MET   9  -6.659  -0.499 -10.250
   62   2HB   MET   9          2HB       MET   9  -5.745  -0.008  -8.835
   63   1HG   MET   9          1HG       MET   9  -3.880  -1.395  -9.570
   64   2HG   MET   9          2HG       MET   9  -4.769  -1.800 -11.033
   65   1HE   MET   9          1HE       MET   9  -5.213  -0.151 -13.017
   66   2HE   MET   9          2HE       MET   9  -4.956   1.592 -12.913
   67   3HE   MET   9          3HE       MET   9  -6.166   0.815 -11.890
   68    H    ARG  10           H        ARG  10  -4.783  -3.956  -8.937
   69    HA   ARG  10           HA       ARG  10  -3.657  -3.604  -6.294
   70   1HB   ARG  10          1HB       ARG  10  -2.668  -5.696  -8.189
   71   2HB   ARG  10          2HB       ARG  10  -2.833  -5.748  -6.439
   72   1HG   ARG  10          1HG       ARG  10  -5.405  -5.654  -7.021
   73   2HG   ARG  10          2HG       ARG  10  -4.835  -6.321  -8.551
   74   1HD   ARG  10          1HD       ARG  10  -4.449  -7.464  -5.796
   75   2HD   ARG  10          2HD       ARG  10  -5.410  -8.138  -7.110
   76    HE   ARG  10           HE       ARG  10  -2.551  -7.823  -7.577
   77   1HH1  ARG  10          1HH1      ARG  10  -5.274  -9.912  -6.960
   78   2HH1  ARG  10          2HH1      ARG  10  -4.388 -11.384  -7.219
   79   1HH2  ARG  10          1HH2      ARG  10  -1.358  -9.764  -7.931
   80   2HH2  ARG  10          2HH2      ARG  10  -2.154 -11.301  -7.759
   81    HA   PRO  11           HA       PRO  11  -0.401  -1.238  -7.989
   82   1HB   PRO  11          1HB       PRO  11   1.236  -1.209  -5.930
   83   2HB   PRO  11          2HB       PRO  11  -0.406  -0.560  -5.762
   84   1HG   PRO  11          1HG       PRO  11   0.559  -3.342  -5.097
   85   2HG   PRO  11          2HG       PRO  11  -0.210  -2.182  -3.983
   86   1HD   PRO  11          1HD       PRO  11  -1.655  -4.040  -5.240
   87   2HD   PRO  11          2HD       PRO  11  -2.282  -2.385  -5.068
   88    H    GLN  12           H        GLN  12   2.261  -1.414  -7.487
   89    HA   GLN  12           HA       GLN  12   3.074  -4.005  -8.591
   90   1HB   GLN  12          1HB       GLN  12   3.909  -1.236  -9.408
   91   2HB   GLN  12          2HB       GLN  12   4.741  -2.690  -9.921
   92   1HG   GLN  12          1HG       GLN  12   1.914  -1.889 -10.557
   93   2HG   GLN  12          2HG       GLN  12   3.271  -2.001 -11.674
   94   1HE2  GLN  12          1HE2      GLN  12   4.172  -4.522 -10.339
   95   2HE2  GLN  12          2HE2      GLN  12   3.120  -5.745 -10.953
   96    H    ASP  13           H        ASP  13   4.795  -4.909  -7.685
   97    HA   ASP  13           HA       ASP  13   5.720  -4.483  -5.199
   98   1HB   ASP  13          1HB       ASP  13   7.198  -5.676  -7.544
   99   2HB   ASP  13          2HB       ASP  13   7.387  -6.083  -5.850
  100    H    GLY  14           H        GLY  14   8.475  -4.487  -7.139
  101   1HA   GLY  14          1HA       GLY  14   9.094  -2.134  -8.083
  102   2HA   GLY  14          2HA       GLY  14   9.225  -1.821  -6.361
  103    H    GLU  15           H        GLU  15  11.128  -1.988  -8.601
  104    HA   GLU  15           HA       GLU  15  13.153  -3.315  -6.964
  105   1HB   GLU  15          1HB       GLU  15  12.842  -4.815  -8.824
  106   2HB   GLU  15          2HB       GLU  15  12.973  -3.487  -9.974
  107   1HG   GLU  15          1HG       GLU  15  15.253  -3.281  -9.683
  108   2HG   GLU  15          2HG       GLU  15  15.223  -4.064  -8.106
  109    H    VAL  16           H        VAL  16  14.521  -1.802  -6.237
  110    HA   VAL  16           HA       VAL  16  15.163   0.457  -7.879
  111    HB   VAL  16           HB       VAL  16  14.662   2.003  -6.167
  112   1HG1  VAL  16          1HG1      VAL  16  12.777   1.367  -7.579
  113   2HG1  VAL  16          2HG1      VAL  16  12.256   1.874  -5.975
  114   3HG1  VAL  16          3HG1      VAL  16  12.307   0.158  -6.384
  115   1HG2  VAL  16          1HG2      VAL  16  15.309   0.730  -4.212
  116   2HG2  VAL  16          2HG2      VAL  16  13.891  -0.308  -4.397
  117   3HG2  VAL  16          3HG2      VAL  16  13.690   1.395  -3.991
  118    H    THR  17           H        THR  17  16.871   1.607  -6.811
  119    HA   THR  17           HA       THR  17  18.822  -0.208  -5.628
  120    HB   THR  17           HB       THR  17  19.572   2.577  -6.323
  121    HG1  THR  17           HG1      THR  17  19.200   0.610  -8.368
  122   1HG2  THR  17          1HG2      THR  17  21.577   1.485  -7.166
  123   2HG2  THR  17          2HG2      THR  17  20.842  -0.097  -6.898
  124   3HG2  THR  17          3HG2      THR  17  21.213   0.947  -5.527
  125    H    VAL  18           H        VAL  18  20.048   0.546  -3.747
  126    HA   VAL  18           HA       VAL  18  18.531   1.767  -1.746
  127    HB   VAL  18           HB       VAL  18  21.511   1.477  -1.787
  128   1HG1  VAL  18          1HG1      VAL  18  19.609   1.925   0.494
  129   2HG1  VAL  18          2HG1      VAL  18  20.772   3.089  -0.144
  130   3HG1  VAL  18          3HG1      VAL  18  21.337   1.622   0.657
  131   1HG2  VAL  18          1HG2      VAL  18  20.413  -0.696  -2.030
  132   2HG2  VAL  18          2HG2      VAL  18  19.449  -0.355  -0.594
  133   3HG2  VAL  18          3HG2      VAL  18  21.195  -0.540  -0.457
  134    H    GLY  19           H        GLY  19  17.930   3.592  -2.074
  135   1HA   GLY  19          1HA       GLY  19  18.483   5.829  -1.211
  136   2HA   GLY  19          2HA       GLY  19  19.917   5.759  -2.218
  137    H    GLY  20           H        GLY  20  17.225   4.471  -3.913
  138   1HA   GLY  20          1HA       GLY  20  16.960   7.019  -5.292
  139   2HA   GLY  20          2HA       GLY  20  16.356   5.475  -5.826
  140    H    SER  21           H        SER  21  14.432   5.423  -5.862
  141    HA   SER  21           HA       SER  21  12.791   6.057  -3.653
  142   1HB   SER  21          1HB       SER  21  11.234   7.218  -5.281
  143   2HB   SER  21          2HB       SER  21  12.625   8.096  -4.720
  144    HG   SER  21           HG       SER  21  13.156   8.322  -6.735
  145    H    ILE  22           H        ILE  22  10.685   5.286  -3.987
  146    HA   ILE  22           HA       ILE  22  10.070   3.547  -6.144
  147    HB   ILE  22           HB       ILE  22  11.064   2.032  -4.611
  148   1HG1  ILE  22          1HG1      ILE  22   9.162   0.488  -4.291
  149   2HG1  ILE  22          2HG1      ILE  22   8.081   1.796  -4.744
  150   1HG2  ILE  22          1HG2      ILE  22  10.807   3.198  -2.522
  151   2HG2  ILE  22          2HG2      ILE  22  10.158   1.566  -2.399
  152   3HG2  ILE  22          3HG2      ILE  22   9.063   2.937  -2.580
  153   1HD1  ILE  22          1HD1      ILE  22  10.207   0.564  -6.477
  154   2HD1  ILE  22          2HD1      ILE  22   9.158   1.903  -6.938
  155   3HD1  ILE  22          3HD1      ILE  22   8.467   0.312  -6.614
  156    H    THR  23           H        THR  23   7.893   3.217  -6.191
  157    HA   THR  23           HA       THR  23   6.246   5.035  -4.639
  158    HB   THR  23           HB       THR  23   6.125   5.170  -7.647
  159    HG1  THR  23           HG1      THR  23   7.939   6.245  -6.038
  160   1HG2  THR  23          1HG2      THR  23   4.914   6.916  -5.493
  161   2HG2  THR  23          2HG2      THR  23   4.039   5.719  -6.446
  162   3HG2  THR  23          3HG2      THR  23   4.732   7.136  -7.237
  163    H    PHE  24           H        PHE  24   4.327   4.348  -4.279
  164    HA   PHE  24           HA       PHE  24   3.357   1.939  -5.615
  165   1HB   PHE  24          1HB       PHE  24   3.047   2.539  -2.680
  166   2HB   PHE  24          2HB       PHE  24   2.781   1.026  -3.520
  167    HD1  PHE  24           HD1      PHE  24   4.733  -0.304  -4.322
  168    HD2  PHE  24           HD2      PHE  24   5.180   3.117  -1.846
  169    HE1  PHE  24           HE1      PHE  24   7.027  -0.989  -3.782
  170    HE2  PHE  24           HE2      PHE  24   7.471   2.444  -1.313
  171    HZ   PHE  24           HZ       PHE  24   8.340   0.288  -2.175
  172    H    SER  25           H        SER  25   1.240   2.035  -6.129
  173    HA   SER  25           HA       SER  25  -0.519   3.783  -4.663
  174   1HB   SER  25          1HB       SER  25  -1.626   4.152  -7.049
  175   2HB   SER  25          2HB       SER  25  -0.383   5.204  -6.396
  176    HG   SER  25           HG       SER  25   0.560   4.745  -8.239
  177    H    ALA  26           H        ALA  26  -2.185   2.843  -4.048
  178    HA   ALA  26           HA       ALA  26  -3.142   0.378  -5.348
  179   1HB   ALA  26          1HB       ALA  26  -3.545  -0.644  -3.256
  180   2HB   ALA  26          2HB       ALA  26  -3.287   0.873  -2.386
  181   3HB   ALA  26          3HB       ALA  26  -1.932   0.061  -3.130
  182    H    ARG  27           H        ARG  27  -5.249   0.331  -5.836
  183    HA   ARG  27           HA       ARG  27  -6.832   2.687  -5.031
  184   1HB   ARG  27          1HB       ARG  27  -7.189   0.887  -7.426
  185   2HB   ARG  27          2HB       ARG  27  -8.090   2.361  -7.087
  186   1HG   ARG  27          1HG       ARG  27  -6.116   3.695  -7.344
  187   2HG   ARG  27          2HG       ARG  27  -5.114   2.249  -7.497
  188   1HD   ARG  27          1HD       ARG  27  -6.308   1.638  -9.546
  189   2HD   ARG  27          2HD       ARG  27  -7.296   3.098  -9.405
  190    HE   ARG  27           HE       ARG  27  -4.372   3.354  -9.600
  191   1HH1  ARG  27          1HH1      ARG  27  -7.542   3.858 -11.000
  192   2HH1  ARG  27          2HH1      ARG  27  -6.964   4.901 -12.260
  193   1HH2  ARG  27          1HH2      ARG  27  -3.602   4.702 -11.256
  194   2HH2  ARG  27          2HH2      ARG  27  -4.712   5.372 -12.419
  195    H    VAL  28           H        VAL  28  -8.625   2.427  -3.816
  196    HA   VAL  28           HA       VAL  28  -9.807  -0.229  -3.639
  197    HB   VAL  28           HB       VAL  28  -9.516   1.618  -1.275
  198   1HG1  VAL  28          1HG1      VAL  28 -10.249  -1.309  -1.390
  199   2HG1  VAL  28          2HG1      VAL  28 -11.429  -0.002  -1.314
  200   3HG1  VAL  28          3HG1      VAL  28 -10.298  -0.252   0.022
  201   1HG2  VAL  28          1HG2      VAL  28  -7.813  -0.012  -0.476
  202   2HG2  VAL  28          2HG2      VAL  28  -7.313   0.925  -1.884
  203   3HG2  VAL  28          3HG2      VAL  28  -7.837  -0.748  -2.078
  204    H    ALA  29           H        ALA  29 -11.819  -0.250  -3.811
  205    HA   ALA  29           HA       ALA  29 -13.396   1.907  -4.603
  206   1HB   ALA  29          1HB       ALA  29 -15.247   0.308  -4.566
  207   2HB   ALA  29          2HB       ALA  29 -14.224  -0.851  -3.714
  208   3HB   ALA  29          3HB       ALA  29 -13.822  -0.364  -5.363
  209    H    GLY  30           H        GLY  30 -14.036   3.430  -3.343
  210   1HA   GLY  30          1HA       GLY  30 -14.610   3.448  -0.616
  211   2HA   GLY  30          2HA       GLY  30 -15.421   4.469  -1.800
  212    H    ALA  31           H        ALA  31 -16.630   2.476  -3.331
  213    HA   ALA  31           HA       ALA  31 -18.147   0.814  -3.508
  214   1HB   ALA  31          1HB       ALA  31 -17.121   0.028  -0.794
  215   2HB   ALA  31          2HB       ALA  31 -16.356  -0.376  -2.332
  216   3HB   ALA  31          3HB       ALA  31 -17.956  -1.019  -1.952
  217    H    SER  32           H        SER  32 -19.724  -0.551  -1.863
  218    HA   SER  32           HA       SER  32 -21.347   1.398  -0.376
  219   1HB   SER  32          1HB       SER  32 -22.424   0.224  -2.365
  220   2HB   SER  32          2HB       SER  32 -22.260  -1.281  -1.461
  221    HG   SER  32           HG       SER  32 -23.745  -0.638  -0.045
  222    H    LEU  33           H        LEU  33 -21.275   1.097   1.812
  223    HA   LEU  33           HA       LEU  33 -20.537  -1.393   2.958
  224   1HB   LEU  33          1HB       LEU  33 -18.396  -0.772   3.716
  225   2HB   LEU  33          2HB       LEU  33 -18.435  -0.622   1.988
  226    HG   LEU  33           HG       LEU  33 -18.041   1.460   4.087
  227   1HD1  LEU  33          1HD1      LEU  33 -16.372   2.221   2.471
  228   2HD1  LEU  33          2HD1      LEU  33 -16.853   0.910   1.393
  229   3HD1  LEU  33          3HD1      LEU  33 -16.148   0.545   2.968
  230   1HD2  LEU  33          1HD2      LEU  33 -19.192   2.087   1.369
  231   2HD2  LEU  33          2HD2      LEU  33 -18.487   3.265   2.475
  232   3HD2  LEU  33          3HD2      LEU  33 -19.950   2.400   2.934
  233    H    LEU  34           H        LEU  34 -20.126  -1.217   5.328
  234    HA   LEU  34           HA       LEU  34 -22.122   0.453   6.515
  235   1HB   LEU  34          1HB       LEU  34 -20.158  -1.196   8.042
  236   2HB   LEU  34          2HB       LEU  34 -21.814  -0.773   8.477
  237    HG   LEU  34           HG       LEU  34 -21.336  -2.275   6.027
  238   1HD1  LEU  34          1HD1      LEU  34 -21.398  -4.426   7.246
  239   2HD1  LEU  34          2HD1      LEU  34 -21.315  -3.538   8.767
  240   3HD1  LEU  34          3HD1      LEU  34 -19.962  -3.481   7.637
  241   1HD2  LEU  34          1HD2      LEU  34 -23.507  -2.368   8.105
  242   2HD2  LEU  34          2HD2      LEU  34 -23.494  -3.291   6.599
  243   3HD2  LEU  34          3HD2      LEU  34 -23.574  -1.532   6.552
  244    H    LYS  35           H        LYS  35 -18.786   0.358   6.071
  245    HA   LYS  35           HA       LYS  35 -18.177   2.667   7.687
  246   1HB   LYS  35          1HB       LYS  35 -16.308   1.131   8.742
  247   2HB   LYS  35          2HB       LYS  35 -17.918   1.176   9.442
  248   1HG   LYS  35          1HG       LYS  35 -17.488  -1.096   9.386
  249   2HG   LYS  35          2HG       LYS  35 -18.394  -0.872   7.875
  250   1HD   LYS  35          1HD       LYS  35 -16.488  -2.282   7.451
  251   2HD   LYS  35          2HD       LYS  35 -16.218  -0.722   6.676
  252   1HE   LYS  35          1HE       LYS  35 -14.175  -1.415   7.700
  253   2HE   LYS  35          2HE       LYS  35 -14.820  -0.063   8.624
  254   1HZ   LYS  35          1HZ       LYS  35 -15.239  -2.898   9.399
  255   2HZ   LYS  35          2HZ       LYS  35 -15.522  -1.514  10.338
  256   3HZ   LYS  35          3HZ       LYS  35 -13.937  -1.969   9.965
  257    HA   PRO  36           HA       PRO  36 -15.439   3.410   4.258
  258   1HB   PRO  36          1HB       PRO  36 -13.566   4.269   6.427
  259   2HB   PRO  36          2HB       PRO  36 -14.010   5.106   4.935
  260   1HG   PRO  36          1HG       PRO  36 -15.040   5.861   7.268
  261   2HG   PRO  36          2HG       PRO  36 -16.032   5.848   5.799
  262   1HD   PRO  36          1HD       PRO  36 -16.039   3.970   8.107
  263   2HD   PRO  36          2HD       PRO  36 -17.379   4.478   7.061
  264    HA   PRO  37           HA       PRO  37 -13.141  -0.341   4.240
  265   1HB   PRO  37          1HB       PRO  37 -11.288   0.623   2.300
  266   2HB   PRO  37          2HB       PRO  37 -12.600  -0.535   2.086
  267   1HG   PRO  37          1HG       PRO  37 -12.543   2.054   1.033
  268   2HG   PRO  37          2HG       PRO  37 -13.976   1.021   1.167
  269   1HD   PRO  37          1HD       PRO  37 -13.211   3.370   2.738
  270   2HD   PRO  37          2HD       PRO  37 -14.801   2.591   2.549
  271    H    VAL  38           H        VAL  38 -11.596  -1.027   5.436
  272    HA   VAL  38           HA       VAL  38  -9.529   0.825   6.305
  273    HB   VAL  38           HB       VAL  38  -9.901  -1.833   7.530
  274   1HG1  VAL  38          1HG1      VAL  38  -7.947  -0.614   8.158
  275   2HG1  VAL  38          2HG1      VAL  38  -9.038  -0.679   9.542
  276   3HG1  VAL  38          3HG1      VAL  38  -8.914   0.798   8.585
  277   1HG2  VAL  38          1HG2      VAL  38 -12.148  -0.943   7.609
  278   2HG2  VAL  38          2HG2      VAL  38 -11.549   0.576   8.274
  279   3HG2  VAL  38          3HG2      VAL  38 -11.442  -0.907   9.224
  280    H    VAL  39           H        VAL  39  -8.081   0.615   4.943
  281    HA   VAL  39           HA       VAL  39  -7.057  -1.976   4.140
  282    HB   VAL  39           HB       VAL  39  -6.001   0.539   2.985
  283   1HG1  VAL  39          1HG1      VAL  39  -4.957  -1.556   2.408
  284   2HG1  VAL  39          2HG1      VAL  39  -5.721  -0.841   0.987
  285   3HG1  VAL  39          3HG1      VAL  39  -6.500  -2.187   1.820
  286   1HG2  VAL  39          1HG2      VAL  39  -7.723   0.748   1.338
  287   2HG2  VAL  39          2HG2      VAL  39  -8.484   0.772   2.929
  288   3HG2  VAL  39          3HG2      VAL  39  -8.546  -0.688   1.940
  289    H    LYS  40           H        LYS  40  -5.545  -2.521   5.430
  290    HA   LYS  40           HA       LYS  40  -3.771  -0.580   6.551
  291   1HB   LYS  40          1HB       LYS  40  -2.941  -2.491   7.935
  292   2HB   LYS  40          2HB       LYS  40  -4.565  -1.955   8.252
  293   1HG   LYS  40          1HG       LYS  40  -4.937  -4.189   8.267
  294   2HG   LYS  40          2HG       LYS  40  -5.095  -3.922   6.531
  295   1HD   LYS  40          1HD       LYS  40  -2.765  -4.575   6.201
  296   2HD   LYS  40          2HD       LYS  40  -2.561  -4.765   7.943
  297   1HE   LYS  40          1HE       LYS  40  -4.605  -6.329   6.393
  298   2HE   LYS  40          2HE       LYS  40  -2.936  -6.873   6.560
  299   1HZ   LYS  40          1HZ       LYS  40  -4.494  -6.172   8.955
  300   2HZ   LYS  40          2HZ       LYS  40  -3.174  -7.224   8.806
  301   3HZ   LYS  40          3HZ       LYS  40  -4.698  -7.688   8.227
  302    H    TRP  41           H        TRP  41  -2.141  -0.179   5.688
  303    HA   TRP  41           HA       TRP  41  -0.845  -1.849   3.726
  304   1HB   TRP  41          1HB       TRP  41  -0.259   0.907   4.773
  305   2HB   TRP  41          2HB       TRP  41   0.815   0.063   3.670
  306    HD1  TRP  41           HD1      TRP  41  -2.861   1.235   3.810
  307    HE1  TRP  41           HE1      TRP  41  -3.530   1.869   1.412
  308    HE3  TRP  41           HE3      TRP  41   1.414  -0.101   1.330
  309    HZ2  TRP  41           HZ2      TRP  41  -2.452   1.723  -1.208
  310    HZ3  TRP  41           HZ3      TRP  41   1.497   0.184  -1.117
  311    HH2  TRP  41           HH2      TRP  41  -0.422   1.086  -2.339
  312    H    PHE  42           H        PHE  42   0.915  -2.925   3.981
  313    HA   PHE  42           HA       PHE  42   2.430  -2.535   6.442
  314   1HB   PHE  42          1HB       PHE  42   1.287  -4.793   6.174
  315   2HB   PHE  42          2HB       PHE  42   2.269  -5.055   4.742
  316    HD1  PHE  42           HD1      PHE  42   4.307  -6.118   4.930
  317    HD2  PHE  42           HD2      PHE  42   2.542  -4.374   8.384
  318    HE1  PHE  42           HE1      PHE  42   6.038  -7.163   6.336
  319    HE2  PHE  42           HE2      PHE  42   4.273  -5.407   9.795
  320    HZ   PHE  42           HZ       PHE  42   6.018  -6.804   8.770
  321    H    LYS  43           H        LYS  43   4.756  -2.781   6.169
  322    HA   LYS  43           HA       LYS  43   5.399  -1.592   3.580
  323   1HB   LYS  43          1HB       LYS  43   5.797   0.099   5.216
  324   2HB   LYS  43          2HB       LYS  43   6.292  -1.120   6.424
  325   1HG   LYS  43          1HG       LYS  43   8.283  -0.144   6.040
  326   2HG   LYS  43          2HG       LYS  43   8.352  -1.412   4.815
  327   1HD   LYS  43          1HD       LYS  43   7.557   0.181   3.148
  328   2HD   LYS  43          2HD       LYS  43   7.536   1.446   4.384
  329   1HE   LYS  43          1HE       LYS  43   9.893   1.299   4.683
  330   2HE   LYS  43          2HE       LYS  43   9.986  -0.147   3.683
  331   1HZ   LYS  43          1HZ       LYS  43   9.453   1.112   1.755
  332   2HZ   LYS  43          2HZ       LYS  43  10.722   1.901   2.557
  333   3HZ   LYS  43          3HZ       LYS  43   9.146   2.503   2.668
  334    H    GLY  44           H        GLY  44   7.598  -2.097   2.775
  335   1HA   GLY  44          1HA       GLY  44   8.664  -4.385   2.310
  336   2HA   GLY  44          2HA       GLY  44   9.713  -3.127   2.901
  337    H    LYS  45           H        LYS  45  10.836  -5.354   3.473
  338    HA   LYS  45           HA       LYS  45   9.393  -7.512   4.023
  339   1HB   LYS  45          1HB       LYS  45  11.630  -8.367   5.080
  340   2HB   LYS  45          2HB       LYS  45  11.532  -7.898   3.395
  341   1HG   LYS  45          1HG       LYS  45  12.549  -5.778   3.891
  342   2HG   LYS  45          2HG       LYS  45  12.623  -6.210   5.600
  343   1HD   LYS  45          1HD       LYS  45  13.939  -7.740   3.366
  344   2HD   LYS  45          2HD       LYS  45  14.759  -6.574   4.404
  345   1HE   LYS  45          1HE       LYS  45  14.390  -7.948   6.334
  346   2HE   LYS  45          2HE       LYS  45  13.339  -9.031   5.424
  347   1HZ   LYS  45          1HZ       LYS  45  15.589  -9.924   5.753
  348   2HZ   LYS  45          2HZ       LYS  45  16.231  -8.630   4.870
  349   3HZ   LYS  45          3HZ       LYS  45  15.198  -9.744   4.116
  350    H    TRP  46           H        TRP  46   9.373  -5.264   6.510
  351    HA   TRP  46           HA       TRP  46   8.335  -7.196   8.375
  352   1HB   TRP  46          1HB       TRP  46  10.017  -6.183  10.123
  353   2HB   TRP  46          2HB       TRP  46  10.446  -7.586   9.156
  354    HD1  TRP  46           HD1      TRP  46  11.933  -7.020   6.925
  355    HE1  TRP  46           HE1      TRP  46  13.644  -5.213   6.474
  356    HE3  TRP  46           HE3      TRP  46  10.879  -4.003  10.875
  357    HZ2  TRP  46           HZ2      TRP  46  14.545  -2.816   7.713
  358    HZ3  TRP  46           HZ3      TRP  46  12.231  -1.976  11.196
  359    HH2  TRP  46           HH2      TRP  46  14.014  -1.389   9.652
  360    H    VAL  47           H        VAL  47   8.468  -3.984   7.289
  361    HA   VAL  47           HA       VAL  47   8.069  -2.847   9.854
  362    HB   VAL  47           HB       VAL  47   8.220  -0.817   7.955
  363   1HG1  VAL  47          1HG1      VAL  47   9.984  -0.064   9.246
  364   2HG1  VAL  47          2HG1      VAL  47  10.601  -1.700   9.509
  365   3HG1  VAL  47          3HG1      VAL  47   9.155  -1.148  10.368
  366   1HG2  VAL  47          1HG2      VAL  47  10.358  -2.874   7.472
  367   2HG2  VAL  47          2HG2      VAL  47  10.392  -1.216   6.871
  368   3HG2  VAL  47          3HG2      VAL  47   9.143  -2.325   6.312
  369    H    ASP  48           H        ASP  48   6.672  -1.074   9.797
  370    HA   ASP  48           HA       ASP  48   4.190  -1.569   8.427
  371   1HB   ASP  48          1HB       ASP  48   3.289  -0.348  10.455
  372   2HB   ASP  48          2HB       ASP  48   3.819  -1.997  10.715
  373    H    LEU  49           H        LEU  49   3.120   0.262   7.674
  374    HA   LEU  49           HA       LEU  49   4.633   2.728   7.562
  375   1HB   LEU  49          1HB       LEU  49   1.947   1.923   6.471
  376   2HB   LEU  49          2HB       LEU  49   2.610   3.531   6.294
  377    HG   LEU  49           HG       LEU  49   4.394   2.684   4.900
  378   1HD1  LEU  49          1HD1      LEU  49   4.457   0.538   4.229
  379   2HD1  LEU  49          2HD1      LEU  49   3.200   0.111   5.389
  380   3HD1  LEU  49          3HD1      LEU  49   4.771   0.694   5.950
  381   1HD2  LEU  49          1HD2      LEU  49   3.181   1.867   3.061
  382   2HD2  LEU  49          2HD2      LEU  49   2.034   2.894   3.931
  383   3HD2  LEU  49          3HD2      LEU  49   1.993   1.127   4.148
  384    H    SER  50           H        SER  50   2.210   1.447   9.588
  385    HA   SER  50           HA       SER  50   0.581   3.703   9.901
  386   1HB   SER  50          1HB       SER  50  -0.088   1.357  10.513
  387   2HB   SER  50          2HB       SER  50   1.009   1.450  11.889
  388    HG   SER  50           HG       SER  50  -1.219   1.958  12.374
  389    H    SER  51           H        SER  51   3.682   2.832  11.026
  390    HA   SER  51           HA       SER  51   3.475   4.781  13.133
  391   1HB   SER  51          1HB       SER  51   5.675   2.796  12.629
  392   2HB   SER  51          2HB       SER  51   5.537   3.857  14.017
  393    HG   SER  51           HG       SER  51   4.345   1.471  13.524
  394    H    LYS  52           H        LYS  52   5.152   3.900  10.303
  395    HA   LYS  52           HA       LYS  52   7.320   5.658  10.542
  396   1HB   LYS  52          1HB       LYS  52   6.240   3.791   8.472
  397   2HB   LYS  52          2HB       LYS  52   7.648   4.786   8.157
  398   1HG   LYS  52          1HG       LYS  52   8.211   2.558   8.831
  399   2HG   LYS  52          2HG       LYS  52   8.795   3.745   9.986
  400   1HD   LYS  52          1HD       LYS  52   6.852   3.216  11.428
  401   2HD   LYS  52          2HD       LYS  52   6.365   1.967  10.275
  402   1HE   LYS  52          1HE       LYS  52   7.532   0.934  12.096
  403   2HE   LYS  52          2HE       LYS  52   8.537   0.850  10.655
  404   1HZ   LYS  52          1HZ       LYS  52   8.861   2.869  12.805
  405   2HZ   LYS  52          2HZ       LYS  52   9.882   2.630  11.475
  406   3HZ   LYS  52          3HZ       LYS  52   9.767   1.443  12.677
  407    H    VAL  53           H        VAL  53   5.241   5.341   7.848
  408    HA   VAL  53           HA       VAL  53   4.974   7.007   6.172
  409    HB   VAL  53           HB       VAL  53   2.892   6.635   8.273
  410   1HG1  VAL  53          1HG1      VAL  53   2.599   8.318   5.780
  411   2HG1  VAL  53          2HG1      VAL  53   2.114   8.734   7.428
  412   3HG1  VAL  53          3HG1      VAL  53   1.224   7.490   6.523
  413   1HG2  VAL  53          1HG2      VAL  53   3.197   5.767   5.427
  414   2HG2  VAL  53          2HG2      VAL  53   1.841   5.359   6.479
  415   3HG2  VAL  53          3HG2      VAL  53   3.466   4.801   6.879
  416    H    GLY  54           H        GLY  54   6.462   8.502   6.270
  417   1HA   GLY  54          1HA       GLY  54   5.564  11.126   7.073
  418   2HA   GLY  54          2HA       GLY  54   7.036  10.582   7.872
  419    H    GLN  55           H        GLN  55   8.727  11.532   6.953
  420    HA   GLN  55           HA       GLN  55   8.563  12.963   4.566
  421   1HB   GLN  55          1HB       GLN  55  11.087  12.071   5.961
  422   2HB   GLN  55          2HB       GLN  55  10.947  13.392   4.814
  423   1HG   GLN  55          1HG       GLN  55  11.027  14.447   6.875
  424   2HG   GLN  55          2HG       GLN  55   9.311  14.429   6.483
  425   1HE2  GLN  55          1HE2      GLN  55  11.809  13.038   8.472
  426   2HE2  GLN  55          2HE2      GLN  55  10.752  12.339   9.654
  427    H    HIS  56           H        HIS  56  10.040   9.768   5.132
  428    HA   HIS  56           HA       HIS  56  10.919   9.725   2.353
  429   1HB   HIS  56          1HB       HIS  56  12.269   7.858   2.910
  430   2HB   HIS  56          2HB       HIS  56  12.382   8.976   4.256
  431    HD1  HIS  56           HD1      HIS  56  11.346   5.563   3.367
  432    HD2  HIS  56           HD2      HIS  56  11.063   8.116   6.629
  433    HE1  HIS  56           HE1      HIS  56  10.555   4.126   5.281
  434    HE2  HIS  56           HE2      HIS  56  10.593   5.657   7.294
  435    H    LEU  57           H        LEU  57   8.722   8.002   4.415
  436    HA   LEU  57           HA       LEU  57   7.426   6.818   2.063
  437   1HB   LEU  57          1HB       LEU  57   8.270   5.008   3.308
  438   2HB   LEU  57          2HB       LEU  57   7.978   5.737   4.829
  439    HG   LEU  57           HG       LEU  57   6.563   3.604   3.718
  440   1HD1  LEU  57          1HD1      LEU  57   6.016   5.484   5.943
  441   2HD1  LEU  57          2HD1      LEU  57   6.745   3.881   5.990
  442   3HD1  LEU  57          3HD1      LEU  57   5.024   4.062   5.635
  443   1HD2  LEU  57          1HD2      LEU  57   5.284   5.043   2.219
  444   2HD2  LEU  57          2HD2      LEU  57   4.771   6.024   3.593
  445   3HD2  LEU  57          3HD2      LEU  57   4.269   4.337   3.478
  446    H    GLN  58           H        GLN  58   5.935   8.393   1.788
  447    HA   GLN  58           HA       GLN  58   4.079   8.809   3.943
  448   1HB   GLN  58          1HB       GLN  58   3.878   9.802   1.091
  449   2HB   GLN  58          2HB       GLN  58   3.036  10.418   2.501
  450   1HG   GLN  58          1HG       GLN  58   4.598  12.016   2.268
  451   2HG   GLN  58          2HG       GLN  58   5.487  10.932   3.314
  452   1HE2  GLN  58          1HE2      GLN  58   7.300   9.942   2.535
  453   2HE2  GLN  58          2HE2      GLN  58   8.008  10.293   0.992
  454    H    LEU  59           H        LEU  59   2.838   7.122   4.151
  455    HA   LEU  59           HA       LEU  59   1.655   5.801   1.862
  456   1HB   LEU  59          1HB       LEU  59   2.351   4.233   3.737
  457   2HB   LEU  59          2HB       LEU  59   1.406   5.207   4.862
  458    HG   LEU  59           HG       LEU  59   0.610   3.022   3.090
  459   1HD1  LEU  59          1HD1      LEU  59   0.699   2.641   5.347
  460   2HD1  LEU  59          2HD1      LEU  59  -1.034   2.886   5.049
  461   3HD1  LEU  59          3HD1      LEU  59  -0.060   4.197   5.750
  462   1HD2  LEU  59          1HD2      LEU  59  -1.702   3.667   2.848
  463   2HD2  LEU  59          2HD2      LEU  59  -0.678   4.852   2.027
  464   3HD2  LEU  59          3HD2      LEU  59  -1.385   5.234   3.599
  465    H    HIS  60           H        HIS  60   0.457   7.337   1.025
  466    HA   HIS  60           HA       HIS  60  -1.303   8.931   2.588
  467   1HB   HIS  60          1HB       HIS  60  -0.254   9.141  -0.183
  468   2HB   HIS  60          2HB       HIS  60  -1.733   9.959   0.255
  469    HD1  HIS  60           HD1      HIS  60  -1.311  11.408   2.683
  470    HD2  HIS  60           HD2      HIS  60   1.828  10.838   0.013
  471    HE1  HIS  60           HE1      HIS  60   0.351  13.231   3.186
  472    HE2  HIS  60           HE2      HIS  60   2.127  12.993   1.416
  473    H    ASP  61           H        ASP  61  -3.209   9.410   1.673
  474    HA   ASP  61           HA       ASP  61  -4.675   7.357   0.313
  475   1HB   ASP  61          1HB       ASP  61  -6.513   7.610   1.895
  476   2HB   ASP  61          2HB       ASP  61  -5.111   6.865   2.623
  477    H    SER  62           H        SER  62  -5.536   8.252  -1.221
  478    HA   SER  62           HA       SER  62  -6.719  10.908  -0.964
  479   1HB   SER  62          1HB       SER  62  -6.479  10.185  -3.689
  480   2HB   SER  62          2HB       SER  62  -5.827  11.589  -2.863
  481    HG   SER  62           HG       SER  62  -4.581   9.041  -2.753
  482    H    TYR  63           H        TYR  63  -8.766  10.934  -0.992
  483    HA   TYR  63           HA       TYR  63 -10.112   8.615  -2.034
  484   1HB   TYR  63          1HB       TYR  63 -11.027   8.112  -0.078
  485   2HB   TYR  63          2HB       TYR  63  -9.753   9.079   0.606
  486    HD1  TYR  63           HD1      TYR  63 -10.231  11.253   1.571
  487    HD2  TYR  63           HD2      TYR  63 -13.338   8.880  -0.102
  488    HE1  TYR  63           HE1      TYR  63 -11.905  12.689   2.658
  489    HE2  TYR  63           HE2      TYR  63 -15.021  10.309   0.979
  490    HH   TYR  63           HH       TYR  63 -14.317  13.313   2.299
  491    H    ASP  64           H        ASP  64 -11.060   9.307  -3.772
  492    HA   ASP  64           HA       ASP  64 -12.765  11.649  -3.556
  493   1HB   ASP  64          1HB       ASP  64 -12.877  10.833  -6.145
  494   2HB   ASP  64          2HB       ASP  64 -11.838  12.083  -5.508
  495    H    ARG  65           H        ARG  65 -14.563  11.075  -2.745
  496    HA   ARG  65           HA       ARG  65 -15.619   8.473  -2.802
  497   1HB   ARG  65          1HB       ARG  65 -15.992  10.701  -1.269
  498   2HB   ARG  65          2HB       ARG  65 -17.493  10.651  -2.191
  499   1HG   ARG  65          1HG       ARG  65 -16.375   8.318  -0.691
  500   2HG   ARG  65          2HG       ARG  65 -17.554   9.446  -0.018
  501   1HD   ARG  65          1HD       ARG  65 -18.102   8.173  -2.656
  502   2HD   ARG  65          2HD       ARG  65 -18.329   7.205  -1.187
  503    HE   ARG  65           HE       ARG  65 -19.922   8.925  -0.444
  504   1HH1  ARG  65          1HH1      ARG  65 -19.150   8.803  -3.884
  505   2HH1  ARG  65          2HH1      ARG  65 -20.601   9.637  -4.350
  506   1HH2  ARG  65          1HH2      ARG  65 -21.798  10.026  -1.076
  507   2HH2  ARG  65          2HH2      ARG  65 -22.081  10.362  -2.757
  508    H    ALA  66           H        ALA  66 -16.138  11.269  -4.764
  509    HA   ALA  66           HA       ALA  66 -18.460  10.287  -6.097
  510   1HB   ALA  66          1HB       ALA  66 -18.199  12.184  -7.590
  511   2HB   ALA  66          2HB       ALA  66 -16.591  12.495  -6.938
  512   3HB   ALA  66          3HB       ALA  66 -18.013  12.693  -5.911
  513    H    SER  67           H        SER  67 -15.166   9.623  -6.287
  514    HA   SER  67           HA       SER  67 -15.440   8.455  -8.965
  515   1HB   SER  67          1HB       SER  67 -12.954   8.580  -7.239
  516   2HB   SER  67          2HB       SER  67 -13.041   8.160  -8.947
  517    HG   SER  67           HG       SER  67 -12.403  10.412  -8.198
  518    H    LYS  68           H        LYS  68 -15.564   7.874  -5.660
  519    HA   LYS  68           HA       LYS  68 -16.037   6.032  -4.415
  520   1HB   LYS  68          1HB       LYS  68 -17.454   5.459  -6.429
  521   2HB   LYS  68          2HB       LYS  68 -16.093   4.524  -7.020
  522   1HG   LYS  68          1HG       LYS  68 -17.139   2.828  -6.019
  523   2HG   LYS  68          2HG       LYS  68 -16.381   3.467  -4.561
  524   1HD   LYS  68          1HD       LYS  68 -19.085   4.404  -5.467
  525   2HD   LYS  68          2HD       LYS  68 -18.893   2.948  -4.489
  526   1HE   LYS  68          1HE       LYS  68 -17.883   4.209  -2.706
  527   2HE   LYS  68          2HE       LYS  68 -17.851   5.668  -3.709
  528   1HZ   LYS  68          1HZ       LYS  68 -20.336   4.255  -2.926
  529   2HZ   LYS  68          2HZ       LYS  68 -20.219   5.758  -3.702
  530   3HZ   LYS  68          3HZ       LYS  68 -19.715   5.587  -2.085
  531    H    VAL  69           H        VAL  69 -13.318   6.836  -5.089
  532    HA   VAL  69           HA       VAL  69 -11.985   4.276  -4.686
  533    HB   VAL  69           HB       VAL  69 -10.704   6.477  -6.275
  534   1HG1  VAL  69          1HG1      VAL  69 -10.095   3.537  -6.074
  535   2HG1  VAL  69          2HG1      VAL  69  -9.242   4.828  -5.230
  536   3HG1  VAL  69          3HG1      VAL  69  -9.180   4.737  -6.990
  537   1HG2  VAL  69          1HG2      VAL  69 -12.674   5.801  -7.543
  538   2HG2  VAL  69          2HG2      VAL  69 -12.193   4.110  -7.411
  539   3HG2  VAL  69          3HG2      VAL  69 -11.199   5.239  -8.329
  540    H    TYR  70           H        TYR  70 -10.761   4.304  -3.023
  541    HA   TYR  70           HA       TYR  70  -9.512   6.768  -2.078
  542   1HB   TYR  70          1HB       TYR  70  -9.551   4.040  -0.840
  543   2HB   TYR  70          2HB       TYR  70  -8.704   5.406  -0.175
  544    HD1  TYR  70           HD1      TYR  70  -9.686   6.375   1.626
  545    HD2  TYR  70           HD2      TYR  70 -12.171   4.620  -1.320
  546    HE1  TYR  70           HE1      TYR  70 -11.673   6.970   2.963
  547    HE2  TYR  70           HE2      TYR  70 -14.172   5.200  -0.014
  548    HH   TYR  70           HH       TYR  70 -14.831   5.742   2.180
  549    H    LEU  71           H        LEU  71  -7.734   7.077  -3.103
  550    HA   LEU  71           HA       LEU  71  -6.141   4.800  -3.983
  551   1HB   LEU  71          1HB       LEU  71  -6.262   6.397  -5.752
  552   2HB   LEU  71          2HB       LEU  71  -5.892   7.729  -4.659
  553    HG   LEU  71           HG       LEU  71  -3.645   6.719  -4.255
  554   1HD1  LEU  71          1HD1      LEU  71  -4.453   4.837  -6.463
  555   2HD1  LEU  71          2HD1      LEU  71  -4.124   4.424  -4.776
  556   3HD1  LEU  71          3HD1      LEU  71  -2.821   5.011  -5.808
  557   1HD2  LEU  71          1HD2      LEU  71  -3.948   8.506  -5.907
  558   2HD2  LEU  71          2HD2      LEU  71  -4.165   7.285  -7.162
  559   3HD2  LEU  71          3HD2      LEU  71  -2.626   7.409  -6.299
  560    H    PHE  72           H        PHE  72  -5.144   4.108  -2.359
  561    HA   PHE  72           HA       PHE  72  -3.710   5.838  -0.573
  562   1HB   PHE  72          1HB       PHE  72  -3.929   2.880  -0.857
  563   2HB   PHE  72          2HB       PHE  72  -2.884   3.631   0.332
  564    HD1  PHE  72           HD1      PHE  72  -6.379   3.033  -0.658
  565    HD2  PHE  72           HD2      PHE  72  -3.772   4.575   2.334
  566    HE1  PHE  72           HE1      PHE  72  -8.256   3.133   0.925
  567    HE2  PHE  72           HE2      PHE  72  -5.651   4.683   3.920
  568    HZ   PHE  72           HZ       PHE  72  -7.896   3.963   3.218
  569    H    GLU  73           H        GLU  73  -1.941   6.569  -1.173
  570    HA   GLU  73           HA       GLU  73  -0.342   5.183  -3.174
  571   1HB   GLU  73          1HB       GLU  73   0.322   7.538  -3.969
  572   2HB   GLU  73          2HB       GLU  73  -1.204   6.857  -4.491
  573   1HG   GLU  73          1HG       GLU  73  -2.302   8.598  -3.673
  574   2HG   GLU  73          2HG       GLU  73  -1.629   8.300  -2.072
  575    H    LEU  74           H        LEU  74   1.527   4.805  -2.582
  576    HA   LEU  74           HA       LEU  74   2.632   6.059  -0.229
  577   1HB   LEU  74          1HB       LEU  74   3.708   3.804  -1.890
  578   2HB   LEU  74          2HB       LEU  74   4.389   4.356  -0.386
  579    HG   LEU  74           HG       LEU  74   2.280   2.449  -0.884
  580   1HD1  LEU  74          1HD1      LEU  74   3.913   3.217   1.504
  581   2HD1  LEU  74          2HD1      LEU  74   4.235   1.916   0.358
  582   3HD1  LEU  74          3HD1      LEU  74   2.844   1.816   1.443
  583   1HD2  LEU  74          1HD2      LEU  74   0.732   4.214  -0.301
  584   2HD2  LEU  74          2HD2      LEU  74   1.691   4.613   1.128
  585   3HD2  LEU  74          3HD2      LEU  74   0.853   3.064   1.039
  586    H    HIS  75           H        HIS  75   4.129   7.397  -0.347
  587    HA   HIS  75           HA       HIS  75   5.721   7.594  -2.806
  588   1HB   HIS  75          1HB       HIS  75   5.137   9.773  -0.769
  589   2HB   HIS  75          2HB       HIS  75   6.315   9.919  -2.067
  590    HD1  HIS  75           HD1      HIS  75   5.452  11.118  -4.055
  591    HD2  HIS  75           HD2      HIS  75   2.403   9.238  -1.946
  592    HE1  HIS  75           HE1      HIS  75   3.328  11.713  -5.259
  593    HE2  HIS  75           HE2      HIS  75   1.499  10.475  -4.032
  594    H    ILE  76           H        ILE  76   7.245   6.195  -2.276
  595    HA   ILE  76           HA       ILE  76   8.460   6.537   0.362
  596    HB   ILE  76           HB       ILE  76   8.065   3.982  -1.122
  597   1HG1  ILE  76          1HG1      ILE  76   6.726   5.130   1.303
  598   2HG1  ILE  76          2HG1      ILE  76   5.963   4.467  -0.155
  599   1HG2  ILE  76          1HG2      ILE  76   9.061   2.911   0.846
  600   2HG2  ILE  76          2HG2      ILE  76   9.350   4.503   1.542
  601   3HG2  ILE  76          3HG2      ILE  76  10.190   4.021   0.061
  602   1HD1  ILE  76          1HD1      ILE  76   5.730   2.992   1.766
  603   2HD1  ILE  76          2HD1      ILE  76   7.486   2.884   1.904
  604   3HD1  ILE  76          3HD1      ILE  76   6.670   2.240   0.479
  605    H    THR  77           H        THR  77  10.151   7.558  -0.191
  606    HA   THR  77           HA       THR  77  11.744   6.658  -2.378
  607    HB   THR  77           HB       THR  77  12.920   8.792  -2.152
  608    HG1  THR  77           HG1      THR  77  12.698   9.580  -0.173
  609   1HG2  THR  77          1HG2      THR  77   9.946   9.181  -2.353
  610   2HG2  THR  77          2HG2      THR  77  10.958   8.518  -3.636
  611   3HG2  THR  77          3HG2      THR  77  11.202  10.180  -3.088
  612    H    ASP  78           H        ASP  78  13.888   6.844  -2.008
  613    HA   ASP  78           HA       ASP  78  15.820   6.061  -1.159
  614   1HB   ASP  78          1HB       ASP  78  14.745   7.387   1.271
  615   2HB   ASP  78          2HB       ASP  78  16.407   6.972   0.933
  616    H    ALA  79           H        ALA  79  14.945   4.034  -1.346
  617    HA   ALA  79           HA       ALA  79  13.917   2.562   0.863
  618   1HB   ALA  79          1HB       ALA  79  14.981   1.554  -1.775
  619   2HB   ALA  79          2HB       ALA  79  13.297   1.937  -1.408
  620   3HB   ALA  79          3HB       ALA  79  14.101   0.602  -0.580
  621    H    GLN  80           H        GLN  80  15.255   2.398   2.538
  622    HA   GLN  80           HA       GLN  80  17.941   1.800   2.641
  623   1HB   GLN  80          1HB       GLN  80  16.911   2.210   4.690
  624   2HB   GLN  80          2HB       GLN  80  15.571   1.125   4.344
  625   1HG   GLN  80          1HG       GLN  80  16.581  -0.579   5.315
  626   2HG   GLN  80          2HG       GLN  80  18.077  -0.294   4.430
  627   1HE2  GLN  80          1HE2      GLN  80  19.628   1.105   5.320
  628   2HE2  GLN  80          2HE2      GLN  80  19.649   1.482   7.006
  629    HA   PRO  81           HA       PRO  81  18.389  -2.137   0.658
  630   1HB   PRO  81          1HB       PRO  81  20.444  -3.166   2.173
  631   2HB   PRO  81          2HB       PRO  81  20.652  -2.001   0.864
  632   1HG   PRO  81          1HG       PRO  81  20.513  -1.522   3.818
  633   2HG   PRO  81          2HG       PRO  81  21.605  -0.809   2.612
  634   1HD   PRO  81          1HD       PRO  81  19.496   0.551   3.525
  635   2HD   PRO  81          2HD       PRO  81  19.988   0.650   1.823
  636    H    ALA  82           H        ALA  82  17.439  -1.820   3.891
  637    HA   ALA  82           HA       ALA  82  16.907  -4.691   4.136
  638   1HB   ALA  82          1HB       ALA  82  18.163  -3.734   5.990
  639   2HB   ALA  82          2HB       ALA  82  16.562  -4.246   6.528
  640   3HB   ALA  82          3HB       ALA  82  16.895  -2.536   6.247
  641    H    PHE  83           H        PHE  83  15.371  -2.319   2.699
  642    HA   PHE  83           HA       PHE  83  12.806  -2.596   4.096
  643   1HB   PHE  83          1HB       PHE  83  14.011  -0.657   2.212
  644   2HB   PHE  83          2HB       PHE  83  12.296  -0.937   2.050
  645    HD1  PHE  83           HD1      PHE  83  12.243  -1.403   5.329
  646    HD2  PHE  83           HD2      PHE  83  13.413   1.685   2.618
  647    HE1  PHE  83           HE1      PHE  83  11.856   0.278   7.060
  648    HE2  PHE  83           HE2      PHE  83  13.018   3.363   4.359
  649    HZ   PHE  83           HZ       PHE  83  12.243   2.663   6.589
  650    H    THR  84           H        THR  84  14.493  -4.082   1.644
  651    HA   THR  84           HA       THR  84  13.349  -4.782  -0.456
  652    HB   THR  84           HB       THR  84  13.773  -6.897   1.612
  653    HG1  THR  84           HG1      THR  84  15.924  -6.878   0.834
  654   1HG2  THR  84          1HG2      THR  84  14.367  -8.269  -0.417
  655   2HG2  THR  84          2HG2      THR  84  13.773  -6.933  -1.415
  656   3HG2  THR  84          3HG2      THR  84  12.669  -7.795  -0.338
  657    H    GLY  85           H        GLY  85  11.570  -4.299  -0.858
  658   1HA   GLY  85          1HA       GLY  85   9.374  -3.894   0.522
  659   2HA   GLY  85          2HA       GLY  85   9.344  -4.241  -1.188
  660    H    GLY  86           H        GLY  86   8.542  -5.114   1.784
  661   1HA   GLY  86          1HA       GLY  86   6.893  -7.104   0.460
  662   2HA   GLY  86          2HA       GLY  86   7.429  -7.337   2.121
  663    H    TYR  87           H        TYR  87   6.033  -4.813   0.169
  664    HA   TYR  87           HA       TYR  87   4.554  -3.672   2.390
  665   1HB   TYR  87          1HB       TYR  87   4.262  -3.116  -0.584
  666   2HB   TYR  87          2HB       TYR  87   3.661  -2.130   0.742
  667    HD1  TYR  87           HD1      TYR  87   6.803  -3.399  -0.797
  668    HD2  TYR  87           HD2      TYR  87   4.966  -0.448   1.652
  669    HE1  TYR  87           HE1      TYR  87   8.894  -2.111  -0.791
  670    HE2  TYR  87           HE2      TYR  87   7.053   0.838   1.668
  671    HH   TYR  87           HH       TYR  87   9.644   0.166  -0.440
  672    H    ARG  88           H        ARG  88   2.830  -4.848   3.097
  673    HA   ARG  88           HA       ARG  88   1.292  -6.413   1.112
  674   1HB   ARG  88          1HB       ARG  88   2.259  -7.807   2.813
  675   2HB   ARG  88          2HB       ARG  88   1.698  -6.753   4.100
  676   1HG   ARG  88          1HG       ARG  88   0.306  -8.647   4.138
  677   2HG   ARG  88          2HG       ARG  88  -0.650  -7.352   3.414
  678   1HD   ARG  88          1HD       ARG  88  -0.324  -8.252   1.219
  679   2HD   ARG  88          2HD       ARG  88   0.852  -9.427   1.814
  680    HE   ARG  88           HE       ARG  88  -1.751  -9.636   3.051
  681   1HH1  ARG  88          1HH1      ARG  88   0.306 -10.725   0.430
  682   2HH1  ARG  88          2HH1      ARG  88  -0.632 -12.153   0.112
  683   1HH2  ARG  88          1HH2      ARG  88  -2.999 -11.497   2.623
  684   2HH2  ARG  88          2HH2      ARG  88  -2.538 -12.576   1.342
  685    H    CYS  89           H        CYS  89  -0.462  -5.452   0.471
  686    HA   CYS  89           HA       CYS  89  -1.875  -3.616   2.270
  687   1HB   CYS  89          1HB       CYS  89  -2.316  -4.124  -0.671
  688   2HB   CYS  89          2HB       CYS  89  -2.978  -2.809   0.277
  689    HG   CYS  89           HG       CYS  89  -0.442  -1.654   0.755
  690    H    GLU  90           H        GLU  90  -3.531  -4.467   3.378
  691    HA   GLU  90           HA       GLU  90  -5.277  -6.336   1.936
  692   1HB   GLU  90          1HB       GLU  90  -4.415  -6.483   4.831
  693   2HB   GLU  90          2HB       GLU  90  -5.776  -7.384   4.186
  694   1HG   GLU  90          1HG       GLU  90  -4.321  -8.574   2.680
  695   2HG   GLU  90          2HG       GLU  90  -2.942  -7.615   3.217
  696    H    VAL  91           H        VAL  91  -7.186  -5.368   1.619
  697    HA   VAL  91           HA       VAL  91  -8.046  -3.327   3.530
  698    HB   VAL  91           HB       VAL  91  -8.206  -2.564   1.277
  699   1HG1  VAL  91          1HG1      VAL  91  -9.625  -3.678  -0.402
  700   2HG1  VAL  91          2HG1      VAL  91  -9.865  -5.013   0.726
  701   3HG1  VAL  91          3HG1      VAL  91  -8.254  -4.667   0.099
  702   1HG2  VAL  91          1HG2      VAL  91 -10.584  -2.006   1.101
  703   2HG2  VAL  91          2HG2      VAL  91  -9.997  -1.842   2.756
  704   3HG2  VAL  91          3HG2      VAL  91 -10.960  -3.247   2.298
  705    H    SER  92           H        SER  92  -9.870  -3.434   4.661
  706    HA   SER  92           HA       SER  92 -11.369  -5.950   4.629
  707   1HB   SER  92          1HB       SER  92 -10.278  -4.660   7.145
  708   2HB   SER  92          2HB       SER  92 -11.210  -6.154   7.048
  709    HG   SER  92           HG       SER  92  -9.103  -6.343   5.420
  710    H    THR  93           H        THR  93 -13.315  -5.297   4.154
  711    HA   THR  93           HA       THR  93 -14.396  -2.920   5.498
  712    HB   THR  93           HB       THR  93 -15.161  -3.526   2.693
  713    HG1  THR  93           HG1      THR  93 -12.709  -3.287   3.199
  714   1HG2  THR  93          1HG2      THR  93 -16.363  -1.797   3.939
  715   2HG2  THR  93          2HG2      THR  93 -15.437  -1.091   2.613
  716   3HG2  THR  93          3HG2      THR  93 -14.838  -0.975   4.267
  717    H    LYS  94           H        LYS  94 -16.902  -2.888   4.741
  718    HA   LYS  94           HA       LYS  94 -18.559  -4.095   6.176
  719   1HB   LYS  94          1HB       LYS  94 -19.992  -4.841   4.041
  720   2HB   LYS  94          2HB       LYS  94 -19.800  -3.179   4.544
  721   1HG   LYS  94          1HG       LYS  94 -19.526  -3.215   2.217
  722   2HG   LYS  94          2HG       LYS  94 -17.924  -2.994   2.892
  723   1HD   LYS  94          1HD       LYS  94 -17.883  -4.504   1.003
  724   2HD   LYS  94          2HD       LYS  94 -17.436  -5.346   2.485
  725   1HE   LYS  94          1HE       LYS  94 -18.962  -6.601   0.943
  726   2HE   LYS  94          2HE       LYS  94 -19.534  -6.439   2.601
  727   1HZ   LYS  94          1HZ       LYS  94 -21.272  -5.162   1.981
  728   2HZ   LYS  94          2HZ       LYS  94 -21.049  -5.935   0.485
  729   3HZ   LYS  94          3HZ       LYS  94 -20.423  -4.385   0.734
  730    H    ASP  95           H        ASP  95 -17.505  -6.037   3.492
  731    HA   ASP  95           HA       ASP  95 -17.495  -8.452   4.991
  732   1HB   ASP  95          1HB       ASP  95 -19.895  -7.787   4.193
  733   2HB   ASP  95          2HB       ASP  95 -19.334  -8.359   2.639
  734    H    LYS  96           H        LYS  96 -16.224  -6.503   2.720
  735    HA   LYS  96           HA       LYS  96 -15.517  -8.638   0.921
  736   1HB   LYS  96          1HB       LYS  96 -16.055  -5.888   0.212
  737   2HB   LYS  96          2HB       LYS  96 -14.396  -6.276  -0.105
  738   1HG   LYS  96          1HG       LYS  96 -15.667  -8.478  -1.026
  739   2HG   LYS  96          2HG       LYS  96 -16.803  -7.188  -1.419
  740   1HD   LYS  96          1HD       LYS  96 -15.247  -6.059  -2.738
  741   2HD   LYS  96          2HD       LYS  96 -13.882  -6.919  -2.020
  742   1HE   LYS  96          1HE       LYS  96 -14.559  -8.964  -3.116
  743   2HE   LYS  96          2HE       LYS  96 -15.995  -8.163  -3.766
  744   1HZ   LYS  96          1HZ       LYS  96 -14.585  -6.690  -5.006
  745   2HZ   LYS  96          2HZ       LYS  96 -14.215  -8.295  -5.403
  746   3HZ   LYS  96          3HZ       LYS  96 -13.187  -7.415  -4.375
  747    H    PHE  97           H        PHE  97 -13.544  -9.001   0.441
  748    HA   PHE  97           HA       PHE  97 -11.427  -7.710   1.953
  749   1HB   PHE  97          1HB       PHE  97 -12.190  -9.765   3.112
  750   2HB   PHE  97          2HB       PHE  97 -11.677 -10.703   1.715
  751    HD1  PHE  97           HD1      PHE  97 -10.526  -8.635   4.525
  752    HD2  PHE  97           HD2      PHE  97  -9.349 -11.129   1.278
  753    HE1  PHE  97           HE1      PHE  97  -8.240  -8.740   5.431
  754    HE2  PHE  97           HE2      PHE  97  -7.061 -11.232   2.177
  755    HZ   PHE  97           HZ       PHE  97  -6.506 -10.037   4.258
  756    H    ASP  98           H        ASP  98  -9.612  -7.448   0.903
  757    HA   ASP  98           HA       ASP  98  -8.930  -8.915  -1.488
  758   1HB   ASP  98          1HB       ASP  98  -9.862  -6.065  -1.600
  759   2HB   ASP  98          2HB       ASP  98  -8.579  -6.583  -2.678
  760    H    CYS  99           H        CYS  99  -6.693  -8.404  -2.167
  761    HA   CYS  99           HA       CYS  99  -5.128  -6.764  -0.378
  762   1HB   CYS  99          1HB       CYS  99  -3.707  -8.718   0.353
  763   2HB   CYS  99          2HB       CYS  99  -5.316  -8.653   1.053
  764    HG   CYS  99           HG       CYS  99  -4.898 -10.535  -1.733
  765    H    SER 100           H        SER 100  -2.942  -6.521  -0.964
  766    HA   SER 100           HA       SER 100  -2.233  -7.626  -3.620
  767   1HB   SER 100          1HB       SER 100  -1.288  -5.430  -4.239
  768   2HB   SER 100          2HB       SER 100  -3.012  -5.342  -3.927
  769    HG   SER 100           HG       SER 100  -0.875  -4.456  -2.314
  770    H    ASN 101           H        ASN 101  -0.106  -8.039  -4.021
  771    HA   ASN 101           HA       ASN 101   1.715  -7.965  -1.745
  772   1HB   ASN 101          1HB       ASN 101   3.170  -9.398  -3.164
  773   2HB   ASN 101          2HB       ASN 101   1.578 -10.097  -2.912
  774   1HD2  ASN 101          1HD2      ASN 101   3.726  -8.602  -5.228
  775   2HD2  ASN 101          2HD2      ASN 101   2.807  -9.038  -6.625
  776    H    PHE 102           H        PHE 102   3.585  -6.827  -1.724
  777    HA   PHE 102           HA       PHE 102   4.432  -5.372  -4.145
  778   1HB   PHE 102          1HB       PHE 102   3.945  -4.454  -1.444
  779   2HB   PHE 102          2HB       PHE 102   5.349  -3.806  -2.209
  780    HD1  PHE 102           HD1      PHE 102   4.674  -2.893  -4.700
  781    HD2  PHE 102           HD2      PHE 102   2.153  -3.144  -1.304
  782    HE1  PHE 102           HE1      PHE 102   3.390  -0.954  -5.489
  783    HE2  PHE 102           HE2      PHE 102   0.888  -1.219  -2.067
  784    HZ   PHE 102           HZ       PHE 102   1.504  -0.108  -4.153
  785    H    ASN 103           H        ASN 103   6.321  -6.792  -4.503
  786    HA   ASN 103           HA       ASN 103   8.124  -6.647  -2.228
  787   1HB   ASN 103          1HB       ASN 103   9.442  -8.174  -4.075
  788   2HB   ASN 103          2HB       ASN 103   8.558  -8.743  -2.691
  789   1HD2  ASN 103          1HD2      ASN 103   8.785  -8.639  -6.038
  790   2HD2  ASN 103          2HD2      ASN 103   7.372  -9.560  -6.382
  791    H    LEU 104           H        LEU 104   9.397  -5.121  -2.153
  792    HA   LEU 104           HA       LEU 104  10.335  -3.794  -4.621
  793   1HB   LEU 104          1HB       LEU 104   9.809  -1.895  -3.543
  794   2HB   LEU 104          2HB       LEU 104   9.637  -2.713  -1.991
  795    HG   LEU 104           HG       LEU 104  12.381  -2.459  -2.678
  796   1HD1  LEU 104          1HD1      LEU 104  10.780   0.062  -2.899
  797   2HD1  LEU 104          2HD1      LEU 104  11.753  -0.694  -4.161
  798   3HD1  LEU 104          3HD1      LEU 104  12.536  -0.006  -2.738
  799   1HD2  LEU 104          1HD2      LEU 104  11.253  -0.675  -0.635
  800   2HD2  LEU 104          2HD2      LEU 104  12.630  -1.782  -0.545
  801   3HD2  LEU 104          3HD2      LEU 104  10.981  -2.401  -0.394
  802    H    THR 105           H        THR 105  12.131  -4.610  -5.332
  803    HA   THR 105           HA       THR 105  14.045  -5.799  -3.508
  804    HB   THR 105           HB       THR 105  14.446  -5.447  -6.469
  805    HG1  THR 105           HG1      THR 105  12.561  -6.930  -5.180
  806   1HG2  THR 105          1HG2      THR 105  16.375  -6.152  -5.120
  807   2HG2  THR 105          2HG2      THR 105  15.842  -7.443  -6.199
  808   3HG2  THR 105          3HG2      THR 105  15.431  -7.500  -4.484
  809    H    VAL 106           H        VAL 106  14.951  -4.175  -2.378
  810    HA   VAL 106           HA       VAL 106  16.019  -1.857  -3.635
  811    HB   VAL 106           HB       VAL 106  15.173  -1.509  -1.397
  812   1HG1  VAL 106          1HG1      VAL 106  16.312  -2.568   0.541
  813   2HG1  VAL 106          2HG1      VAL 106  16.988  -3.730  -0.610
  814   3HG1  VAL 106          3HG1      VAL 106  15.236  -3.591  -0.409
  815   1HG2  VAL 106          1HG2      VAL 106  17.038  -0.129  -2.016
  816   2HG2  VAL 106          2HG2      VAL 106  18.167  -1.375  -1.470
  817   3HG2  VAL 106          3HG2      VAL 106  17.142  -0.544  -0.304
  818    H    HIS 107           H        HIS 107  17.680  -1.947  -4.660
  819    HA   HIS 107           HA       HIS 107  19.591  -4.069  -4.555
  820   1HB   HIS 107          1HB       HIS 107  19.218  -1.676  -6.329
  821   2HB   HIS 107          2HB       HIS 107  20.711  -2.605  -6.389
  822    HD1  HIS 107           HD1      HIS 107  20.159  -3.294  -8.822
  823    HD2  HIS 107           HD2      HIS 107  17.423  -4.616  -5.981
  824    HE1  HIS 107           HE1      HIS 107  18.753  -5.012  -9.982
  825    HE2  HIS 107           HE2      HIS 107  17.008  -5.699  -8.301
  826    H    GLU 108           H        GLU 108  20.689  -3.928  -2.752
  827    HA   GLU 108           HA       GLU 108  22.105  -1.607  -1.888
  828   1HB   GLU 108          1HB       GLU 108  21.510  -3.516  -0.386
  829   2HB   GLU 108          2HB       GLU 108  22.706  -4.496  -1.225
  830   1HG   GLU 108          1HG       GLU 108  24.425  -2.802  -0.575
  831   2HG   GLU 108          2HG       GLU 108  23.196  -2.039   0.429
  832    H    ALA 109           H        ALA 109  23.910  -0.782  -2.679
  833    HA   ALA 109           HA       ALA 109  25.770  -2.545  -4.117
  834   1HB   ALA 109          1HB       ALA 109  24.948   0.216  -5.019
  835   2HB   ALA 109          2HB       ALA 109  24.467  -1.303  -5.777
  836   3HB   ALA 109          3HB       ALA 109  26.159  -0.807  -5.790
  837    H    MET 110           H        MET 110  25.509   0.830  -3.030
  838    HA   MET 110           HA       MET 110  26.866   2.178  -1.820
  839   1HB   MET 110          1HB       MET 110  27.908  -0.434  -0.701
  840   2HB   MET 110          2HB       MET 110  28.247   1.155  -0.033
  841   1HG   MET 110          1HG       MET 110  25.858   1.461   0.414
  842   2HG   MET 110          2HG       MET 110  25.544  -0.154  -0.220
  843   1HE   MET 110          1HE       MET 110  24.522   0.706   2.602
  844   2HE   MET 110          2HE       MET 110  24.981  -0.666   3.609
  845   3HE   MET 110          3HE       MET 110  24.324  -0.936   1.994